data_r5l74sf
# 
_audit.revision_id     1_0 
_audit.creation_date   2017-03-15 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5l74 
_cell.length_a      107.7100 
_cell.length_b      44.5600 
_cell.length_c      33.0100 
_cell.angle_alpha   90.0000 
_cell.angle_beta    104.7000 
_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   1.01630 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.360 
_diffrn_reflns.pdbx_d_res_low    52.092 
_diffrn_reflns.limit_h_max       68 
_diffrn_reflns.limit_h_min       -76 
_diffrn_reflns.limit_k_max       29 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       21 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            27859 
_diffrn_reflns.pdbx_number_obs   27859 
# 
_entry.id   5l74 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5l74 
_symmetry.space_group_name_H-M   "C 1 2 1" 
_symmetry.Int_Tables_number      5 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"           
2 "-X,  Y,  -Z"         
3 "X+1/2,  Y+1/2,  Z"   
4 "-X+1/2,  Y+1/2,  -Z" 
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.F_meas_au 
_refln.F_meas_sigma_au 
_refln.intensity_meas 
_refln.intensity_sigma 
_refln.pdbx_I_plus 
_refln.pdbx_I_plus_sigma 
_refln.pdbx_I_minus 
_refln.pdbx_I_minus_sigma 
_refln.pdbx_F_plus 
_refln.pdbx_F_plus_sigma 
_refln.pdbx_F_minus 
_refln.pdbx_F_minus_sigma 
_refln.pdbx_anom_difference 
_refln.pdbx_anom_difference_sigma 
1 1 1 -76 0  10 o 20.47436 7.930123 87.22443       79.59138 87.22443       79.59138 87.22443       79.59138 20.47436 11.21489 20.47436 11.21489 0.000000       0.000000 
1 1 1 -76 0  11 o 67.33712 4.081792 585.2714       92.45223 585.2714       92.45223 585.2714       92.45223 67.33712 5.772525 67.33712 5.772525 0.000000       0.000000 
1 1 1 -76 0  12 o 23.91314 8.526622 125.7010       86.28890 125.7010       86.28890 125.7010       86.28890 23.91314 12.05846 23.91314 12.05846 0.000000       0.000000 
1 1 1 -76 2  10 o 26.15537 7.444250 90.23966       68.30875 99.06008       125.0878 86.49162       81.54041 27.22997 11.37462 25.08077 9.606537 2.149204       14.88850 
1 1 1 -76 2  11 o 36.61345 6.619834 209.6431       59.25014 238.6058       84.34144 181.4225       83.25386 39.51876 9.020111 33.70815 9.691565 5.810608       13.23967 
1 1 1 -76 2  12 o 29.85672 7.167797 148.0668       62.52692 182.6943       91.08644 117.2083       85.98661 32.73531 10.30610 26.97812 9.964619 5.757187       14.33559 
1 1 1 -76 4  11 o 18.20368 8.776908 -97.56097      115.3957 -97.56097      115.3957 0.000000       0.000000 18.20368 8.776908 ?        ?        ?              ?        
1 1 1 -75 1  8  o 31.91443 11.55321 155.5027       114.7346 0.000000       0.000000 155.5027       114.7346 ?        ?        31.91443 11.55321 ?              ?        
1 1 1 -75 1  9  o 36.01151 6.378981 190.2703       55.91751 221.3241       79.29581 159.5534       78.86456 39.27502 8.584704 32.74798 9.437607 6.527042       12.75796 
1 1 1 -75 1  10 o 24.26756 6.087298 54.70264       53.97771 150.5656       76.37574 -40.96110      76.29633 31.68819 9.332557 16.84692 7.818194 14.84127       12.17460 
1 1 1 -75 1  11 o 18.21094 5.813962 -16.02707      54.80884 11.14934       79.48670 -40.66048      75.67642 19.75237 8.666153 16.66952 7.752832 3.082844       11.62792 
1 1 1 -75 1  12 o 22.88302 6.547542 55.95292       58.22640 97.34624       82.37122 14.61314       82.31792 25.80091 9.708484 19.96514 8.787865 5.835770       13.09508 
1 1 1 -75 1  13 o 16.73339 5.586097 -51.09761      59.23366 -43.97260      83.11320 -58.45205      84.44066 16.94572 7.960070 16.52107 7.839338 0.4246559      11.17219 
1 1 1 -75 3  9  o 44.71925 5.533226 281.6521       57.02891 205.8529       80.84750 356.7190       80.45604 37.41821 9.033264 52.02029 6.392689 -14.60208      11.06645 
1 1 1 -75 3  10 o 40.61680 5.965053 240.0003       58.12534 156.1112       81.31396 327.6554       83.11906 31.93769 9.682805 49.29592 6.969270 -17.35823      11.93011 
1 1 1 -75 3  11 o 15.24779 5.144306 -75.26539      53.33770 -106.3272      76.34326 -45.64533      74.55048 14.23492 6.928062 16.26066 7.606411 -2.025742      10.28861 
1 1 1 -75 3  12 o 19.33057 8.682920 0.9558820      84.61526 0.9558820      84.61526 0.000000       0.000000 19.33057 8.682920 ?        ?        ?              ?        
1 1 1 -75 3  13 o 28.55343 6.589389 120.3968       62.74049 10.92391       89.22678 227.4577       88.23837 19.87452 8.922570 37.23234 9.698862 -17.35782      13.17878 
1 1 1 -75 5  10 o 32.89145 7.055450 191.9063       73.10067 254.2364       85.08157 16.15705       142.8675 41.46578 8.755639 24.31711 11.06600 17.14867       14.11090 
1 1 1 -75 5  11 o 24.19711 6.870868 77.61119       58.58284 96.10787       64.27087 -13.23022      142.4326 25.50315 8.692634 22.89108 10.64300 2.612070       13.74174 
1 1 1 -75 5  12 o 39.80323 6.702497 252.2066       63.59408 253.5123       91.58672 250.9910       88.37070 39.74229 9.627003 39.86417 9.328165 -0.1218758     13.40499 
1 1 1 -75 7  11 o 59.30310 7.180769 510.5165       101.2328 177.8703       125.7269 1123.736       170.7044 30.84977 11.90000 87.75643 8.040138 -56.90667      14.36154 
1 1 1 -74 0  7  o 12.75551 6.017055 -15.27687      71.58468 -15.27687      71.58468 -15.27687      71.58468 12.75551 8.509400 12.75551 8.509400 0.000000       0.000000 
1 1 1 -74 0  8  o 11.91200 5.731636 -32.02578      71.34515 -32.02578      71.34515 -32.02578      71.34515 11.91200 8.105757 11.91200 8.105757 0.000000       0.000000 
1 1 1 -74 0  9  o 14.36269 6.516345 11.85953       72.69991 11.85953       72.69991 11.85953       72.69991 14.36269 9.215504 14.36269 9.215504 0.000000       0.000000 
1 1 1 -74 0  10 o 16.63279 7.064898 44.00890       72.43607 44.00890       72.43607 44.00890       72.43607 16.63279 9.991275 16.63279 9.991275 0.000000       0.000000 
1 1 1 -74 0  11 o 18.03584 7.400285 60.16465       74.74633 60.16465       74.74633 60.16465       74.74633 18.03584 10.46558 18.03584 10.46558 0.000000       0.000000 
1 1 1 -74 0  12 o 49.66938 5.549863 339.2496       87.27090 339.2496       87.27090 339.2496       87.27090 49.66938 7.848692 49.66938 7.848692 0.000000       0.000000 
1 1 1 -74 0  13 o 17.40372 7.468607 53.00516       82.62354 53.00516       82.62354 53.00516       82.62354 17.40372 10.56221 17.40372 10.56221 0.000000       0.000000 
1 1 1 -74 0  14 o 22.22146 8.471243 111.7791       89.42962 111.7791       89.42962 111.7791       89.42962 22.22146 11.98015 22.22146 11.98015 0.000000       0.000000 
1 1 1 -74 2  7  o 39.42447 5.630359 213.9100       52.70018 286.6439       75.83437 145.9761       73.28938 46.88788 6.685026 31.96105 9.061688 14.92683       11.26072 
1 1 1 -74 2  8  o 34.07332 6.001298 165.1764       51.83364 233.7145       73.60554 97.75060       73.00582 41.36128 7.636866 26.78536 9.259621 14.57592       12.00260 
1 1 1 -74 2  9  o 38.74792 6.019574 213.2010       54.95271 190.7884       78.61302 234.6178       76.84681 36.39030 8.983232 41.10555 8.015149 -4.715248      12.03915 
1 1 1 -74 2  10 o 43.25591 5.519297 259.1591       55.60277 266.3991       80.33793 252.5023       77.03445 43.80324 7.870031 42.70858 7.740358 1.094654       11.03859 
1 1 1 -74 2  11 o 16.10993 5.325082 -54.29688      52.28757 -88.81974      74.64569 -21.03913      73.26521 14.73901 7.094439 17.48085 7.943232 -2.741839      10.65016 
1 1 1 -74 2  12 o 27.24998 6.289083 96.87959       56.14551 4.654623       79.95121 186.6122       78.86346 19.40849 8.595770 35.09148 9.182755 -15.68299      12.57817 
1 1 1 -74 2  13 f 18.25054 5.913383 -24.67931      59.52715 -56.62597      82.62951 9.789967       85.82989 16.57548 7.832389 19.92559 8.861494 -3.350113      11.82677 
1 1 1 -74 4  8  o 56.23583 6.647044 552.4371       63.99217 624.8682       72.21713 287.6859       138.0692 70.67953 4.223226 41.79213 12.60544 28.88739       13.29409 
1 1 1 -74 4  9  o 18.19586 6.119040 -42.71319      54.68604 -35.42859      59.76497 -80.19036      135.5587 15.07660 6.969346 21.31512 10.05976 -6.238520      12.23808 
1 1 1 -74 4  10 o 73.27250 3.647081 686.0034       64.44841 760.8648       92.81253 616.2938       89.56198 77.27540 4.964358 69.26960 5.344151 8.005798       7.294162 
1 1 1 -74 4  11 o 48.81066 4.970336 321.3079       58.61927 343.9056       85.00253 300.8152       80.94646 50.49524 6.957914 47.12608 7.099605 3.369152       9.940672 
1 1 1 -74 4  12 o 38.52262 6.541638 225.8430       60.41352 260.7462       87.89147 194.5827       83.17847 41.67141 8.982381 35.37384 9.512568 6.297577       13.08328 
1 1 1 -74 4  13 o 28.19941 6.975975 125.9287       60.48329 166.7662       86.16135 86.25521       84.92464 31.75177 10.02677 24.64704 9.701587 7.104725       13.95195 
1 1 1 -74 6  9  o 21.79939 6.919175 10.08040       63.87719 9.611712       71.84975 11.84771       139.5208 19.10141 8.313158 24.49736 11.06306 -5.395952      13.83835 
1 1 1 -74 6  10 o 20.90656 6.838776 -50.59851      58.74004 -80.91619      64.38471 99.91672       143.4581 13.59031 6.553439 28.22280 12.00533 -14.63248      13.67755 
1 1 1 -74 6  11 o 28.98583 7.756093 113.9811       61.26676 100.8711       67.32423 177.1565       147.7900 26.17739 8.896846 31.79426 12.70724 -5.616869      15.51219 
1 1 1 -74 6  12 o 18.38896 6.084554 -21.37949      59.11478 3.888313       65.04308 -141.3444      141.7244 17.57903 7.770884 19.19889 9.364859 -1.619864      12.16911 
1 1 1 -74 8  10 o 22.90976 10.80586 -39.53599      155.9850 0.000000       0.000000 -39.53599      155.9850 ?        ?        22.90976 10.80586 ?              ?        
1 1 1 -74 8  11 o 26.55838 7.806825 4.215908       89.68974 -138.8459      110.9586 273.8846       152.3401 16.75056 8.195373 36.36620 13.28992 -19.61563      15.61365 
1 1 1 -73 1  6  o 72.19055 3.400287 654.3704       58.78483 770.2266       84.11893 543.7843       82.18346 78.64438 4.421033 65.73672 5.167424 12.90766       6.800574 
1 1 1 -73 1  7  o 29.75572 6.461076 123.3051       50.97403 125.0665       72.99091 121.6281       71.21810 29.93872 9.193329 29.57272 9.081009 0.3660069      12.92215 
1 1 1 -73 1  8  o 31.05501 6.319590 132.7961       52.51191 188.3138       75.61533 81.07960       72.98083 36.71149 8.654630 25.39852 9.211203 11.31297       12.63918 
1 1 1 -73 1  9  o 21.95534 6.165427 43.91121       49.31957 64.76145       71.58603 25.07245       68.04540 23.73912 9.022887 20.17155 8.404609 3.567572       12.33085 
1 1 1 -73 1  10 o 23.64877 6.256433 56.77912       51.84087 4.339979       72.79307 110.7468       73.84639 19.16805 8.354363 28.12950 9.315388 -8.961452      12.51287 
1 1 1 -73 1  11 o 57.92422 4.277158 437.6288       59.24340 507.5766       83.59457 367.0474       83.97235 62.94724 5.489074 52.90121 6.560976 10.04603       8.554317 
1 1 1 -73 1  12 o 27.60485 6.725960 107.0584       56.26520 146.6361       80.17193 68.64548       78.98339 31.23874 9.642008 23.97096 9.380077 7.267773       13.45192 
1 1 1 -73 1  13 o 38.58638 6.386323 223.4901       59.16074 177.5924       82.60794 271.8168       84.76563 33.87659 9.626035 43.29618 8.395234 -9.419590      12.77265 
1 1 1 -73 1  14 f 27.98100 6.265203 108.5908       58.47638 -4.312887      84.81386 210.8914       80.73314 19.05802 8.614381 36.90398 9.099645 -17.84597      12.53041 
1 1 1 -73 3  6  o 43.53930 6.262475 312.3274       54.91101 356.9176       62.77454 167.0434       113.3111 53.34069 4.864325 33.73790 11.54178 19.60279       12.52495 
1 1 1 -73 3  7  o 35.85977 5.786876 178.3012       48.72676 171.8160       74.70226 183.1037       64.28516 34.94855 8.831263 36.77099 7.480678 -1.822441      11.57375 
1 1 1 -73 3  8  o 20.69529 6.087636 23.01006       51.53119 -6.980522      73.20589 52.46624       72.55074 18.62370 8.237817 22.76687 8.965247 -4.143177      12.17527 
1 1 1 -73 3  9  o 86.22676 3.152191 930.3299       65.75468 925.6570       93.38544 934.9247       92.60184 85.99216 4.488673 86.46136 4.426855 -0.4691925     6.304382 
1 1 1 -73 3  10 o 26.85521 6.586125 97.45988       53.95716 62.56896       78.65739 128.4711       74.15536 23.80867 9.347847 29.90176 9.280405 -6.093092      13.17225 
1 1 1 -73 3  11 o 29.63865 6.661798 128.2558       55.35548 91.77007       80.48933 161.0005       76.25140 26.16072 9.645000 33.11659 9.191963 -6.955875      13.32360 
1 1 1 -73 3  12 f 37.03421 5.839137 199.0305       57.32793 74.25414       80.04551 330.4320       82.14305 24.38402 9.470174 49.68439 6.833584 -25.30037      11.67827 
1 1 1 -73 3  13 o 22.00507 6.437478 45.15948       56.41346 21.44132       77.90257 71.31121       81.80151 20.13565 8.709535 23.87448 9.482008 -3.738836      12.87496 
1 1 1 -73 3  14 o 24.89888 6.748601 77.84293       61.90457 8.681642       86.70540 149.7538       88.41211 19.78333 8.844591 30.01443 10.19547 -10.23110      13.49720 
1 1 1 -73 5  7  o 77.28606 4.455341 722.0985       66.85390 689.6597       74.31004 859.8454       153.1284 74.42974 4.126660 80.14237 7.897526 -5.712631      8.910682 
1 1 1 -73 5  8  o 49.48569 6.459040 286.4405       60.28422 251.4696       66.24838 454.8483       145.3794 44.11480 6.207099 54.85658 11.32911 -10.74179      12.91808 
1 1 1 -73 5  9  f 28.93394 7.672506 94.41074       57.21346 80.53141       62.39230 167.7573       143.4289 24.64557 8.557834 33.22230 12.73707 -8.576727      15.34501 
1 1 1 -73 5  10 o 57.13105 6.200243 437.1922       64.00637 424.8199       70.85297 492.0881       149.2462 57.78921 5.067678 56.47289 11.31772 1.316315       12.40049 
1 1 1 -73 5  11 o 72.85841 4.852783 695.4705       68.13394 687.0640       76.28696 728.6140       151.4746 73.89431 4.267141 71.82252 8.717196 2.071793       9.705565 
1 1 1 -73 5  12 o 32.43310 6.755663 162.6988       57.26488 138.1009       82.98358 185.0617       79.12379 29.91982 9.873291 34.94638 9.223560 -5.026552      13.51133 
1 1 1 -73 5  13 o 20.32277 6.316754 18.02191       59.96357 15.33939       83.93535 20.81805       85.69460 20.09736 8.858689 20.54818 9.007174 -0.4508114     12.63351 
1 1 1 -73 5  14 o 32.20820 7.197824 177.6103       62.79465 176.3882       90.02740 178.7682       87.63116 32.00902 10.26434 32.40737 10.09346 -0.3983498     14.39565 
1 1 1 -73 7  8  o 34.01553 7.606971 101.3566       82.95514 -40.88043      102.2659 375.0149       141.8499 19.80797 9.142473 48.22309 12.16056 -28.41512      15.21394 
1 1 1 -73 7  9  o 36.53520 7.319654 202.9485       59.79884 203.9172       66.43032 198.8102       137.3011 38.42970 7.413545 34.64069 12.62334 3.789009       14.63931 
1 1 1 -73 7  10 o 40.34874 7.519539 212.5280       59.69319 187.1774       65.27859 341.9393       147.4901 36.49886 7.637711 44.19863 12.95528 -7.699776      15.03908 
1 1 1 -73 7  11 o 25.28383 7.500534 46.99523       60.65668 22.82340       66.75510 161.4515       145.2612 19.30482 8.200100 31.26285 12.56147 -11.95803      15.00107 
1 1 1 -73 7  12 o 31.17790 7.130737 171.6004       64.42894 196.6098       71.20853 58.70315       151.2939 36.45804 8.263839 25.89776 11.62319 10.56028       14.26147 
1 1 1 -73 7  13 o 32.95092 7.625089 190.3189       64.46727 192.5395       70.41869 178.8221       160.2262 35.60254 8.324248 30.29930 12.77790 5.303246       15.25018 
1 1 1 -73 9  10 o 28.82281 8.237376 102.8426       89.89730 26.60322       114.5682 224.9851       145.0134 22.99598 10.23203 34.64963 12.91213 -11.65364      16.47475 
1 1 1 -73 9  11 o 26.42634 7.470160 105.0012       70.54601 124.6747       78.41311 21.45152       161.5922 28.10581 9.601384 24.74687 11.44669 3.358940       14.94032 
1 1 1 -73 9  12 o 28.19162 7.941912 87.16437       62.67934 51.40536       68.35954 275.9072       157.0513 21.00653 8.553484 35.37670 13.38409 -14.37016      15.88382 
1 1 1 -72 0  4  o 96.46613 3.005795 1146.098       98.77072 1146.098       98.77072 1146.098       98.77072 96.46613 4.250837 96.46613 4.250837 0.000000       0.000000 
1 1 1 -72 0  5  o 48.17728 4.984549 306.5266       77.01920 306.5266       77.01920 306.5266       77.01920 48.17728 7.049217 48.17728 7.049217 0.000000       0.000000 
1 1 1 -72 0  6  o 13.61651 6.155262 9.056706       64.14603 9.056706       64.14603 9.056706       64.14603 13.61651 8.704856 13.61651 8.704856 0.000000       0.000000 
1 1 1 -72 0  7  o 9.972462 4.946655 -63.60249      64.19426 -63.60249      64.19426 -63.60249      64.19426 9.972462 6.995627 9.972462 6.995627 0.000000       0.000000 
1 1 1 -72 0  8  o 26.54094 7.636595 125.5719       68.08094 125.5719       68.08094 125.5719       68.08094 26.54094 10.79978 26.54094 10.79978 0.000000       0.000000 
1 1 1 -72 0  9  o 60.19400 3.931978 459.0914       79.39207 459.0914       79.39207 459.0914       79.39207 60.19400 5.560657 60.19400 5.560657 0.000000       0.000000 
1 1 1 -72 0  10 o 25.53768 7.954847 122.1334       72.89543 122.1334       72.89543 122.1334       72.89543 25.53768 11.24985 25.53768 11.24985 0.000000       0.000000 
1 1 1 -72 0  11 o 40.01837 6.687083 234.6087       79.51001 234.6087       79.51001 234.6087       79.51001 40.01837 9.456964 40.01837 9.456964 0.000000       0.000000 
1 1 1 -72 0  12 o 56.53816 4.542323 415.9392       84.94065 415.9392       84.94065 415.9392       84.94065 56.53816 6.423815 56.53816 6.423815 0.000000       0.000000 
1 1 1 -72 0  13 o 12.58509 6.012911 -23.74347      75.77171 -23.74347      75.77171 -23.74347      75.77171 12.58509 8.503541 12.58509 8.503541 0.000000       0.000000 
1 1 1 -72 0  14 o 19.52882 7.820010 77.63801       80.56662 77.63801       80.56662 77.63801       80.56662 19.52882 11.05916 19.52882 11.05916 0.000000       0.000000 
1 1 1 -72 0  15 o 26.62526 8.806836 151.3049       89.63483 151.3049       89.63483 151.3049       89.63483 26.62526 12.45475 26.62526 12.45475 0.000000       0.000000 
1 1 1 -72 2  4  f 41.45403 6.485210 246.8307       62.32001 198.4533       104.6368 273.4246       77.58067 36.90280 10.93839 46.00525 6.970178 -9.102451      12.97042 
1 1 1 -72 2  5  o 62.11755 3.707747 484.5088       55.70094 498.5946       78.69164 470.3644       78.85466 63.05919 5.157959 61.17591 5.327760 1.883286       7.415495 
1 1 1 -72 2  6  o 24.36261 6.154589 72.06313       46.22478 57.81117       65.85300 85.90591       64.90082 22.96938 8.672351 25.75584 8.735342 -2.786463      12.30918 
1 1 1 -72 2  7  o 53.79123 4.113335 366.6469       53.50722 375.3765       75.25803 357.7231       76.09011 54.48339 5.709346 53.09908 5.922962 1.384308       8.226670 
1 1 1 -72 2  8  o 29.32685 6.241202 117.9909       48.02004 131.1427       68.98793 105.6298       66.88219 30.75867 8.816028 27.89504 8.836745 2.863621       12.48240 
1 1 1 -72 2  9  f 23.44738 5.593944 29.55340       48.85788 -77.33981      67.54518 146.8562       70.75768 14.48277 6.911320 32.41199 8.797870 -17.92923      11.18789 
1 1 1 -72 2  10 o 38.15676 5.860624 200.7978       52.56935 224.9922       76.43153 179.0769       72.41920 40.49183 8.085034 35.82169 8.486452 4.670135       11.72125 
1 1 1 -72 2  11 o 28.16095 6.578262 107.8931       54.30526 150.6571       76.91869 65.39371       76.68032 32.31889 9.322336 24.00301 9.283759 8.315878       13.15652 
1 1 1 -72 2  12 o 49.18854 4.978282 321.4594       58.78629 371.0492       84.45696 274.8544       81.87584 53.15621 6.567183 45.22087 7.483668 7.935333       9.956565 
1 1 1 -72 2  13 o 23.47597 6.499055 62.55224       55.02509 92.06353       76.63554 31.14788       79.05531 25.81055 9.427025 21.14139 8.948859 4.669163       12.99811 
1 1 1 -72 2  14 f 17.72769 5.711432 -41.82290      56.71447 -109.3493      78.57260 31.62716       81.94648 14.38968 7.008866 21.06571 9.019846 -6.676028      11.42286 
1 1 1 -72 2  15 o 29.72859 7.143715 145.1784       64.01676 94.50047       89.49873 198.2693       91.60474 25.21858 9.948954 34.23860 10.25422 -9.020018      14.28743 
1 1 1 -72 4  5  o 34.56237 6.701875 152.5847       51.12981 136.3026       58.39629 206.0678       105.8373 31.65773 7.698614 37.46700 10.97232 -5.809275      13.40375 
1 1 1 -72 4  6  o 13.41370 4.676215 -107.0541      46.65898 -71.30679      52.35775 -244.9732      102.8422 12.37994 5.954574 14.44747 7.211864 -2.067525      9.352429 
1 1 1 -72 4  7  o 23.20176 6.798808 0.7026610      53.63241 -32.42945      60.32010 125.7585       117.1897 15.53849 7.116517 30.86502 11.58664 -15.32652      13.59762 
1 1 1 -72 4  8  o 19.08261 6.159625 -13.58157      52.94278 3.132004       58.38935 -90.83879      125.5361 17.50126 7.555182 20.66397 9.730526 -3.162706      12.31925 
1 1 1 -72 4  9  o 45.17850 6.612142 209.3163       58.40318 153.7849       64.33749 469.3635       139.2261 33.36812 8.060022 56.98887 10.48416 -23.62075      13.22428 
1 1 1 -72 4  10 o 78.72443 5.162559 861.5790       83.55208 914.6312       97.96793 720.0476       160.0143 85.32155 4.745947 72.12730 9.169734 13.19424       10.32512 
1 1 1 -72 4  11 o 70.02676 3.740007 625.1141       63.27384 595.2344       90.12921 654.1516       88.84995 68.26172 5.457404 71.79180 5.115405 -3.530083      7.480015 
1 1 1 -72 4  12 o 64.18149 3.945303 530.9703       61.26178 533.5253       86.79140 528.4335       86.48388 64.33797 5.575799 64.02500 5.583200 0.3129730      7.890605 
1 1 1 -72 4  13 o 20.04350 5.978714 -3.756560      55.40919 83.73437       79.56738 -86.13314      77.20678 25.00749 9.510765 15.07950 7.247442 9.927992       11.95743 
1 1 1 -72 4  14 o 18.73302 5.947812 -3.231106      56.25148 9.693441       79.69174 -16.06514      79.41221 19.42841 8.594319 18.03763 8.224570 1.390776       11.89562 
1 1 1 -72 6  6  o 40.86032 6.569256 215.7417       64.94121 215.7417       64.94121 0.000000       0.000000 40.86032 6.569256 ?        ?        ?              ?        
1 1 1 -72 6  7  o 34.24001 7.294749 168.2100       57.49052 170.6450       63.57655 157.2873       134.6522 35.36977 7.651926 33.11025 12.42181 2.259514       14.58950 
1 1 1 -72 6  8  o 31.03497 7.619796 124.5516       57.66012 118.9904       63.00105 153.2421       143.0972 29.21570 8.439700 32.85425 12.68923 -3.638556      15.23959 
1 1 1 -72 6  9  o 18.72907 5.899849 -15.53089      55.93287 36.72266       60.78440 -304.2237      142.8737 20.33148 8.141060 17.12667 8.541430 3.204819       11.79970 
1 1 1 -72 6  10 o 34.88424 7.347888 188.3138       60.37274 197.2909       66.38641 145.3896       145.1645 37.92056 7.501738 31.84791 12.63684 6.072641       14.69578 
1 1 1 -72 6  11 o 20.95999 6.826497 -30.07041      57.53101 -48.01212      62.87206 62.27246       142.6355 14.86807 6.964607 27.05192 11.74302 -12.18385      13.65299 
1 1 1 -72 6  12 o 22.74104 7.094559 15.45107       59.11546 -0.9761427     65.17973 91.61214       140.3451 17.63345 7.787788 27.84863 11.86092 -10.21518      14.18912 
1 1 1 -72 6  13 f 26.85482 7.378477 99.73489       59.92485 97.90414       66.53256 107.6026       137.9252 25.82221 8.844050 27.88743 11.81315 -2.065220      14.75695 
1 1 1 -72 6  14 o 25.21065 6.751614 88.55398       58.19191 139.4433       86.60867 46.67397       78.56905 29.02084 10.08243 21.40047 8.982304 7.620371       13.50323 
1 1 1 -72 8  7  o 27.84037 11.75189 75.69304       135.7325 0.000000       0.000000 75.69304       135.7325 ?        ?        27.84037 11.75189 ?              ?        
1 1 1 -72 8  8  o 29.17939 7.549543 108.4836       55.92927 104.6333       60.50054 131.1124       146.6721 27.32019 8.366632 31.03858 12.56908 -3.718393      15.09909 
1 1 1 -72 8  9  o 44.45029 7.239755 280.9833       61.49427 273.7158       67.47758 316.5973       149.3743 45.89392 6.077179 43.00667 13.14246 2.887249       14.47951 
1 1 1 -72 8  10 o 20.27406 6.221639 9.323050       59.42168 59.01859       64.44076 -272.9328      153.5760 22.33186 8.543290 18.21626 9.046954 4.115595       12.44328 
1 1 1 -72 8  11 o 51.61419 7.257776 420.7006       63.82706 427.9889       69.45034 381.0827       161.9221 57.80180 4.966275 45.42658 13.63955 12.37521       14.51555 
1 1 1 -72 8  12 o 36.07305 8.140536 173.5867       63.71019 141.4614       69.57522 340.3926       158.5393 30.50027 8.886003 41.64583 13.64230 -11.14556      16.28107 
1 1 1 -72 8  13 o 38.00602 6.944812 277.1494       64.60022 304.2143       70.39093 132.6591       162.6418 47.46439 6.129803 28.54764 12.46383 18.91675       13.88962 
1 1 1 -72 10 10 o 26.27455 8.085509 72.66062       90.94353 69.60143       109.0896 79.63117       164.6694 25.00483 10.54421 27.54427 12.26056 -2.539433      16.17102 
1 1 1 -72 10 11 o 45.36518 7.517362 377.2790       64.37802 391.8415       68.98296 279.0006       179.2063 54.81980 5.201183 35.91056 14.10640 18.90924       15.03472 
1 1 1 -72 10 12 o 23.12311 7.122597 57.02846       61.49437 63.18447       66.19028 18.20345       166.2266 21.93851 8.586300 24.30771 11.36666 -2.369205      14.24519 
1 1 1 -71 1  3  o 109.9228 2.896647 1491.976       76.98574 1568.283       110.4206 1419.798       107.3911 112.6815 4.050374 107.1640 4.142068 5.517502       5.793294 
1 1 1 -71 1  4  o 26.56247 6.224728 90.81210       47.28065 112.4280       67.05668 69.44163       66.67483 28.86140 8.802644 24.26355 8.803546 4.597853       12.44946 
1 1 1 -71 1  5  o 78.92515 3.135239 771.5922       59.86121 757.4410       84.45794 785.8774       84.85654 78.18499 4.464931 79.66531 4.402646 -1.480316      6.270479 
1 1 1 -71 1  6  o 18.83811 5.733332 4.143411       47.29457 1.000352       66.76690 7.308736       67.00297 18.60703 8.055684 19.06919 8.160289 -0.4621525     11.46666 
1 1 1 -71 1  7  o 31.34040 5.999626 133.8055       47.58144 99.83547       67.37881 167.5976       67.20216 27.46783 8.887391 35.21298 8.062030 -7.745148      11.99925 
1 1 1 -71 1  8  o 35.46875 5.776846 171.8223       48.92222 205.8032       68.92427 137.3193       69.45169 39.30965 7.521231 31.62786 8.770342 7.681799       11.55369 
1 1 1 -71 1  9  o 26.00009 6.245760 80.28097       49.91329 131.5222       71.99184 32.85028       69.26331 30.86765 9.052202 21.13253 8.607886 9.735113       12.49152 
1 1 1 -71 1  10 o 25.58381 5.910863 71.12389       49.11674 149.8807       69.75122 -6.338113      69.17548 32.86924 8.652747 18.29838 8.055009 14.57085       11.82173 
1 1 1 -71 1  11 o 38.53391 5.956843 205.4495       53.99555 193.1163       75.49384 218.3663       77.25925 37.24994 8.556942 39.81787 8.289430 -2.567940      11.91369 
1 1 1 -71 1  12 f 20.43064 6.092049 22.60124       51.58490 14.88887       73.54717 30.06894       72.37117 19.95807 8.545327 20.90322 8.685023 -0.9451408     12.18410 
1 1 1 -71 1  13 o 17.68900 5.623591 -33.52042      52.79072 -90.26894      73.80920 25.91354       75.53542 14.67284 7.060567 20.70516 8.754856 -6.032327      11.24718 
1 1 1 -71 1  14 o 45.14568 5.625293 289.1482       58.84172 220.9620       83.38464 356.7815       83.04590 38.58197 9.083546 51.70940 6.638139 -13.12743      11.25059 
1 1 1 -71 1  15 o 34.05537 6.816929 182.1057       60.79973 127.0819       83.70216 243.5666       88.46281 28.42028 9.909656 39.69046 9.363805 -11.27018      13.63386 
1 1 1 -71 3  3  o 38.27488 6.081610 244.0944       53.75898 296.0920       61.98889 86.34147       107.9719 48.58472 5.273657 27.96505 10.96049 20.61967       12.16322 
1 1 1 -71 3  4  o 39.68420 6.369398 239.1693       54.31169 264.9076       62.22224 156.8114       111.3036 45.88002 5.605570 33.48838 11.43916 12.39163       12.73880 
1 1 1 -71 3  5  o 66.73726 4.317165 585.7671       58.54651 607.2112       67.54689 520.9994       117.3896 70.15140 3.979850 63.32311 7.662405 6.828285       8.634331 
1 1 1 -71 3  6  o 19.84191 6.109457 6.779942       48.46872 10.00391       55.61795 -3.397977      98.82095 17.78520 7.515892 21.89863 9.633964 -4.113430      12.21891 
1 1 1 -71 3  7  o 50.66412 4.979693 292.0828       51.96689 261.1133       58.43100 409.2802       113.6672 45.64784 5.290792 55.68040 8.437825 -10.03256      9.959387 
1 1 1 -71 3  8  o 65.60464 3.476387 537.3701       55.17060 534.4366       78.52261 540.2300       77.53284 65.40881 4.961993 65.80048 4.870285 -0.3916626     6.952773 
1 1 1 -71 3  9  o 55.51499 4.111795 390.2008       54.76864 328.4231       75.91575 457.2543       79.09090 50.77176 6.180269 60.25822 5.425101 -9.486465      8.223591 
1 1 1 -71 3  10 o 82.39711 3.266276 847.3743       64.95598 925.2351       92.88418 772.8501       90.87212 86.19061 4.454300 78.60362 4.778436 7.586983       6.532553 
1 1 1 -71 3  11 o 34.12341 6.206511 164.4146       53.34301 110.0993       75.04819 219.8745       75.83475 28.25802 9.392463 39.98880 8.115712 -11.73077      12.41302 
1 1 1 -71 3  12 o 26.23331 6.535325 88.39466       53.67910 128.6371       76.06268 48.46594       75.76563 29.93934 9.416590 22.52729 9.064753 7.412045       13.07065 
1 1 1 -71 3  13 o 21.25249 5.916440 10.00437       52.67904 -81.61650      73.05036 109.2735       76.03827 14.85328 7.115001 27.65171 9.454829 -12.79844      11.83288 
1 1 1 -71 3  14 o 61.31449 4.292504 495.3854       63.58047 530.7525       90.89301 461.4985       88.97054 63.59007 5.907978 59.03891 6.228818 4.551163       8.585009 
1 1 1 -71 3  15 o 22.97375 6.466270 54.42311       58.49821 -11.05800      84.00533 116.0704       81.50908 18.66605 8.490939 27.28145 9.754720 -8.615402      12.93254 
1 1 1 -71 5  4  o 73.77507 4.366731 710.7294       63.75820 725.9524       72.49967 658.7745       133.9365 76.66630 3.908672 70.88384 7.809971 5.782455       8.733462 
1 1 1 -71 5  5  o 70.72198 4.615117 704.6992       62.67592 761.8127       71.87792 523.4979       128.0286 78.60228 3.779706 62.84169 8.420868 15.76059       9.230233 
1 1 1 -71 5  6  o 37.05148 6.439814 208.8988       52.79290 229.6880       59.50793 132.0643       114.4023 42.62631 5.770252 31.47666 11.51473 11.14965       12.87963 
1 1 1 -71 5  7  o 66.28394 4.782212 561.0476       60.77254 558.8146       67.91670 570.0179       136.1247 67.16611 4.179498 65.40175 8.602907 1.764366       9.564425 
1 1 1 -71 5  8  o 20.40623 5.917022 17.71404       52.51895 68.95219       57.88795 -220.7020      124.8703 23.55326 8.239478 17.25920 8.494444 6.294058       11.83404 
1 1 1 -71 5  9  o 54.76398 6.626602 483.3393       61.46050 524.8262       68.33817 307.7930       140.5736 64.95627 4.348505 44.57169 12.51950 20.38458       13.25320 
1 1 1 -71 5  10 o 19.19574 6.299198 -22.92063      53.64894 -14.99931      58.62565 -63.72397      133.0568 16.26184 7.271308 22.12963 10.28823 -5.867786      12.59840 
1 1 1 -71 5  11 o 25.14259 7.405865 53.22305       58.90969 48.53773       64.33065 77.56098       146.6190 21.68784 8.471265 28.59734 12.15010 -6.909502      14.81173 
1 1 1 -71 5  12 o 32.23918 7.718125 139.9516       58.10318 131.8970       63.09579 184.8900       149.0345 30.44972 8.325701 34.02863 12.99848 -3.578913      15.43625 
1 1 1 -71 5  13 o 48.59217 5.220858 326.3961       58.94131 278.4068       85.36240 370.1237       81.48399 44.23372 8.280825 52.95063 6.360611 -8.716911      10.44172 
1 1 1 -71 5  14 o 29.59510 6.819855 134.1750       57.07272 170.1996       82.78833 101.5492       78.78634 32.90257 9.723897 26.28762 9.564912 6.614944       13.63971 
1 1 1 -71 5  15 o 26.66302 7.055392 109.7341       62.38798 76.25613       85.87005 147.1630       90.79572 23.79604 9.623882 29.52999 10.31965 -5.733952      14.11078 
1 1 1 -71 7  5  o 34.76987 7.981421 179.4276       77.36912 198.6913       99.70171 150.2677       122.6668 36.86038 10.60809 32.67937 11.92815 4.181004       15.96284 
1 1 1 -71 7  6  o 28.36480 8.152390 110.1975       58.91906 110.1975       58.91906 0.000000       0.000000 28.36480 8.152390 ?        ?        ?              ?        
1 1 1 -71 7  7  o 32.35583 7.051971 157.0777       56.07471 171.3313       61.34654 84.67579       138.2620 35.65131 7.356385 29.06034 12.03349 6.590969       14.10394 
1 1 1 -71 7  8  o 38.89305 7.285205 195.7461       56.39140 182.0132       61.75036 264.7234       138.3918 36.80305 7.192965 40.98306 12.67115 -4.180000      14.57041 
1 1 1 -71 7  9  o 45.58757 6.271181 436.3621       63.13558 525.1202       69.49256 16.72814       151.1017 64.83226 4.430419 26.34288 11.73381 38.48938       12.54236 
1 1 1 -71 7  10 o 30.79573 7.531670 63.04008       56.30484 19.78849       61.28457 297.2040       142.5969 18.95216 7.942726 42.63931 12.79911 -23.68715      15.06334 
1 1 1 -71 7  11 o 41.53883 7.008227 297.5985       60.53417 323.1736       66.12038 165.1398       150.4760 50.23922 5.439890 32.83845 12.91776 17.40076       14.01645 
1 1 1 -71 7  12 o 24.09837 7.073314 60.71225       58.14872 68.81977       63.65900 19.86913       142.8813 23.18806 8.572022 25.00869 11.25378 -1.820631      14.14663 
1 1 1 -71 7  13 o 18.77169 6.260259 -26.25285      57.21001 -16.53713      62.47506 -76.71624      142.3828 16.25365 7.365838 21.28973 10.12461 -5.036072      12.52052 
1 1 1 -71 7  14 o 35.52154 7.828924 192.4667       62.60484 173.3194       69.05850 280.7852       148.3165 33.81661 8.461481 37.22647 13.17465 -3.409863      15.65785 
1 1 1 -71 9  7  o 22.44097 7.138428 -10.88318      77.19823 -25.78227      95.44730 17.29923       131.2722 19.97639 9.072993 24.90554 11.02313 -4.929157      14.27686 
1 1 1 -71 9  8  f 53.06638 6.837131 380.8387       61.00189 371.3223       66.09245 435.5741       158.5073 54.14989 5.044893 51.98288 12.70962 2.167011       13.67426 
1 1 1 -71 9  9  o 33.76120 7.034195 185.9534       58.11673 203.9048       63.15166 86.65080       148.5303 38.81456 6.981631 28.70784 12.21378 10.10672       14.06839 
1 1 1 -71 9  10 o 26.52647 7.400514 87.11738       60.39774 90.93597       66.40797 68.83997       145.2868 25.63690 8.833079 27.41603 11.87633 -1.779127      14.80103 
1 1 1 -71 9  11 o 23.84293 7.309822 13.37124       58.51059 -12.37406      63.88302 147.4123       145.7657 16.78325 7.541233 30.90261 12.52453 -14.11937      14.61964 
1 1 1 -71 9  12 o 23.38216 7.261023 43.90390       63.12356 47.09660       68.41199 25.61571       163.7339 21.20650 8.585332 25.55781 11.71247 -4.351311      14.52205 
1 1 1 -71 9  13 o 37.01122 7.570275 99.15392       61.92181 26.16921       66.75426 549.1969       165.7639 19.20418 8.179674 54.81826 12.74085 -35.61408      15.14055 
1 1 1 -71 11 9  o 23.39178 11.05314 -60.09519      164.5483 0.000000       0.000000 -60.09519      164.5483 ?        ?        23.39178 11.05314 ?              ?        
1 1 1 -71 11 10 o 52.30639 8.433309 456.6658       101.0163 451.3980       122.7880 467.6978       177.6917 55.38419 9.163638 49.22860 14.16017 6.155590       16.86662 
1 1 1 -71 11 11 o 20.45504 6.995723 -86.62606      59.87970 -115.7518      63.98056 118.9768       169.9904 12.25496 6.040947 28.65511 12.62012 -16.40015      13.99145 
1 1 1 -71 11 12 o 21.85900 7.106016 19.81382       60.98133 15.18959       65.25875 51.65973       171.2561 18.18076 7.917517 25.53724 11.80232 -7.356482      14.21203 
1 1 1 -70 0  2  o 88.12838 3.009755 956.2281       90.27105 956.2281       90.27105 956.2281       90.27105 88.12838 4.256436 88.12838 4.256436 0.000000       0.000000 
1 1 1 -70 0  3  o 49.62377 4.498737 318.5850       72.94275 318.5850       72.94275 318.5850       72.94275 49.62377 6.362175 49.62377 6.362175 0.000000       0.000000 
1 1 1 -70 0  4  o 17.19875 7.018983 49.20207       66.68462 49.20207       66.68462 49.20207       66.68462 17.19875 9.926341 17.19875 9.926341 0.000000       0.000000 
1 1 1 -70 0  5  o 14.27995 6.298865 18.80978       62.70347 18.80978       62.70347 18.80978       62.70347 14.27995 8.907941 14.27995 8.907941 0.000000       0.000000 
1 1 1 -70 0  6  f 134.8423 2.770864 2223.492       127.5933 2223.492       127.5933 2223.492       127.5933 134.8423 3.918593 134.8423 3.918593 0.000000       0.000000 
1 1 1 -70 0  7  o 34.62534 6.705660 179.4512       68.68705 179.4512       68.68705 179.4512       68.68705 34.62534 9.483235 34.62534 9.483235 0.000000       0.000000 
1 1 1 -70 0  8  o 20.33910 7.436893 78.24547       66.61424 78.24547       66.61424 78.24547       66.61424 20.33910 10.51735 20.33910 10.51735 0.000000       0.000000 
1 1 1 -70 0  9  o 72.89134 3.389298 659.8077       83.68993 659.8077       83.68993 659.8077       83.68993 72.89134 4.793192 72.89134 4.793192 0.000000       0.000000 
1 1 1 -70 0  10 o 15.46268 6.615227 32.52665       64.42702 32.52665       64.42702 32.52665       64.42702 15.46268 9.355344 15.46268 9.355344 0.000000       0.000000 
1 1 1 -70 0  11 o 29.31617 7.617488 146.1867       70.63607 146.1867       70.63607 146.1867       70.63607 29.31617 10.77275 29.31617 10.77275 0.000000       0.000000 
1 1 1 -70 0  12 o 23.53641 7.899673 106.7650       72.39192 106.7650       72.39192 106.7650       72.39192 23.53641 11.17183 23.53641 11.17183 0.000000       0.000000 
1 1 1 -70 0  13 o 86.64458 3.244697 932.6517       95.57443 932.6517       95.57443 932.6517       95.57443 86.64458 4.588694 86.64458 4.588694 0.000000       0.000000 
1 1 1 -70 0  14 o 24.98517 8.156324 122.8009       76.77435 122.8009       76.77435 122.8009       76.77435 24.98517 11.53478 24.98517 11.53478 0.000000       0.000000 
1 1 1 -70 0  15 f 39.76751 7.355086 245.7234       86.47242 245.7234       86.47242 245.7234       86.47242 39.76751 10.40166 39.76751 10.40166 0.000000       0.000000 
1 1 1 -70 0  16 o 40.21317 7.915468 263.9092       94.21642 263.9092       94.21642 263.9092       94.21642 40.21317 11.19416 40.21317 11.19416 0.000000       0.000000 
1 1 1 -70 2  2  o 41.93632 5.807539 227.9519       51.87704 220.3743       60.77188 248.3046       99.59674 41.76559 6.014253 42.10704 9.936740 -0.3414421     11.61508 
1 1 1 -70 2  3  o 59.94115 4.543309 447.6084       62.57046 430.5190       76.69634 481.6181       108.1963 58.66430 5.403790 61.21799 7.305182 -2.553699      9.086618 
1 1 1 -70 2  4  o 41.95855 4.951362 228.0122       49.03856 218.4259       70.89848 236.8050       67.90060 40.69182 7.477110 43.22527 6.492823 -2.533455      9.902723 
1 1 1 -70 2  5  o 63.96594 3.415719 512.4996       52.18323 424.3477       74.29691 598.3238       73.30946 58.33417 5.264359 69.59772 4.353743 -11.26355      6.831438 
1 1 1 -70 2  6  o 50.51456 4.233092 323.0377       51.30524 363.4248       71.83508 280.9863       73.30024 53.90734 5.507905 47.12179 6.429561 6.785549       8.466185 
1 1 1 -70 2  7  o 70.83871 3.301734 622.0171       56.55695 623.3002       81.34013 620.8161       78.69276 70.88219 4.743134 70.79523 4.594396 0.8695984E-01  6.603468 
1 1 1 -70 2  8  o 19.94153 5.813160 23.11058       45.37165 25.37437       63.96201 20.81779       64.37035 20.09980 8.239161 19.78326 8.202898 0.3165417      11.62632 
1 1 1 -70 2  9  o 46.71911 4.580380 277.6237       51.72564 293.5814       73.85291 262.2585       72.46894 48.08184 6.348691 45.35637 6.604064 2.725468       9.160761 
1 1 1 -70 2  10 o 79.67456 3.178787 786.9133       61.19942 842.9331       88.56410 735.7168       84.66556 82.40775 4.442091 76.94138 4.548252 5.466370       6.357575 
1 1 1 -70 2  11 o 66.94296 3.561357 562.6987       57.47452 507.2622       80.93357 619.0981       81.63344 63.50081 5.268016 70.38509 4.793857 -6.884281      7.122715 
1 1 1 -70 2  12 o 55.55877 4.199621 394.5201       56.44445 396.5771       79.41214 392.4197       80.24339 55.72975 5.889758 55.38778 5.988155 0.3419685      8.399241 
1 1 1 -70 2  13 o 21.90136 6.210905 39.24752       51.89030 2.752356       73.22010 76.07121       73.54893 19.09167 8.348340 24.71105 9.198184 -5.619379      12.42181 
1 1 1 -70 2  14 o 34.15742 6.580550 172.8568       55.91170 160.5967       77.85284 185.9155       80.34838 32.87595 9.345986 35.43890 9.266451 -2.562943      13.16110 
1 1 1 -70 2  15 o 23.20870 6.297468 45.35125       56.56327 131.6227       80.88772 -37.20411      79.12646 29.23437 9.752661 17.18303 7.969819 12.05134       12.59494 
1 1 1 -70 2  16 o 24.83996 6.824060 79.91676       63.60789 144.6158       88.80846 11.76484       91.14740 29.44443 10.21080 20.23549 9.055980 9.208935       13.64812 
1 1 1 -70 4  2  o 30.87971 7.746409 124.0313       75.37910 70.74361       110.2972 170.7317       103.2552 27.12623 10.92943 34.63318 10.98067 -7.506950      15.49282 
1 1 1 -70 4  3  o 62.23058 4.682573 540.6144       59.30274 597.6042       70.04086 396.3117       111.4525 69.54954 4.162506 54.91163 8.389249 14.63791       9.365146 
1 1 1 -70 4  4  o 43.76216 5.908933 256.8114       53.00792 259.0804       61.30457 250.0892       105.5201 45.44569 5.575681 42.07863 10.41987 3.367054       11.81787 
1 1 1 -70 4  5  o 27.67484 6.573294 101.2866       48.66516 111.6411       55.05458 64.28316       104.0759 28.87119 7.728613 26.47848 10.63491 2.392710       13.14659 
1 1 1 -70 4  6  o 66.95067 4.262185 564.2721       57.19876 563.5768       64.91448 566.6865       120.9647 67.63441 3.967085 66.26691 7.545006 1.367500       8.524369 
1 1 1 -70 4  7  o 52.65639 4.970427 321.2404       54.17633 292.4502       61.20352 425.4610       116.4475 48.38597 5.228230 56.92680 8.454950 -8.540836      9.940853 
1 1 1 -70 4  8  o 21.61631 6.601209 7.737904       50.58006 -1.995170      56.23227 48.98275       115.7565 16.96939 7.369768 26.26323 10.95401 -9.293837      13.20242 
1 1 1 -70 4  9  o 47.44588 5.926561 275.4594       54.62450 256.5225       61.11936 350.6246       121.7678 45.13957 5.596534 49.75218 10.44870 -4.612614      11.85312 
1 1 1 -70 4  10 o 56.01908 5.000842 337.8098       57.79329 283.9396       64.61630 553.2421       129.2182 47.41259 5.633083 64.62558 8.264506 -17.21299      10.00168 
1 1 1 -70 4  11 o 71.53494 3.513871 643.4400       60.67691 602.7675       86.51999 682.8046       85.11743 69.20084 5.167765 73.86904 4.762705 -4.668198      7.027742 
1 1 1 -70 4  12 o 41.14122 5.692996 238.1633       54.95890 146.6746       78.27189 327.1327       77.18671 31.96451 9.457272 50.31792 6.340413 -18.35341      11.38599 
1 1 1 -70 4  13 o 33.69798 6.414495 164.4223       54.41904 204.0312       77.92673 126.7195       76.02866 37.79499 8.702111 29.60098 9.426357 8.194008       12.82899 
1 1 1 -70 4  14 o 24.39963 6.452301 73.32776       53.34131 112.0623       75.43906 34.59946       75.43295 27.71526 9.417788 21.08399 8.822360 6.631264       12.90460 
1 1 1 -70 4  15 o 20.41679 6.221862 6.996492       59.54606 74.80904       84.62270 -59.51176      83.80495 24.15463 9.628071 16.67894 7.883307 7.475687       12.44372 
1 1 1 -70 4  16 o 29.29009 7.352788 147.2345       65.80247 127.1617       92.59599 167.7138       93.52849 27.57440 10.30952 31.00578 10.48655 -3.431381      14.70558 
1 1 1 -70 6  3  o 22.75172 6.955351 -5.099076      74.94382 64.90185       100.2299 -93.86080      112.8647 26.01395 10.44071 19.48949 9.192343 6.524467       13.91070 
1 1 1 -70 6  4  o 42.84734 6.320622 208.5382       53.95620 174.3683       60.28601 346.1035       120.9621 36.26059 7.126058 49.43410 10.44128 -13.17351      12.64124 
1 1 1 -70 6  5  o 24.34801 6.802204 56.91320       52.00142 57.63371       58.82473 54.33671       111.2388 22.50702 8.253333 26.18899 10.81492 -3.681976      13.60441 
1 1 1 -70 6  6  o 45.09225 6.323272 332.4138       55.37804 377.4858       62.85096 175.9667       117.0961 55.08437 4.716082 35.10013 11.73429 19.98424       12.64654 
1 1 1 -70 6  7  o 62.48368 4.912899 466.4738       59.95506 442.8965       66.68124 565.9727       136.9827 59.68612 4.617724 65.28124 8.673115 -5.595119      9.825798 
1 1 1 -70 6  8  o 28.17307 6.925752 52.72603       52.75939 9.588869       59.40546 213.8013       114.7929 18.20257 7.733798 38.14358 11.49141 -19.94101      13.85150 
1 1 1 -70 6  9  o 27.46008 5.905857 114.6951       53.19436 165.4352       58.02937 -152.2903      133.1116 35.23562 7.053227 19.68454 9.474627 15.55107       11.81171 
1 1 1 -70 6  10 o 44.00050 7.045033 231.5280       58.87866 204.6707       64.56420 364.1880       143.4930 39.19525 7.068625 48.80574 12.18870 -9.610489      14.09007 
1 1 1 -70 6  11 o 28.08836 7.237613 106.8325       58.40273 120.3767       63.91647 38.33433       143.7393 29.36109 8.506321 26.81564 11.71216 2.545454       14.47523 
1 1 1 -70 6  12 o 26.30982 7.549759 37.08118       59.72432 6.441363       65.71069 182.6294       143.2176 18.45053 7.989819 34.16911 12.81243 -15.71857      15.09952 
1 1 1 -70 6  13 f 63.44986 5.157578 506.3883       63.01519 483.1911       69.98815 605.7109       144.8204 61.77053 4.683180 65.12918 9.190770 -3.358646      10.31516 
1 1 1 -70 6  14 o 30.09058 6.514688 157.7778       58.42976 193.2701       63.93403 -22.12968      143.9427 37.06456 7.388969 23.11660 10.73163 13.94796       13.02938 
1 1 1 -70 6  15 o 20.63162 6.357068 25.45173       59.81732 9.362035       84.10580 41.92085       85.09174 19.64973 8.753233 21.61351 9.221181 -1.963785      12.71414 
1 1 1 -70 8  5  o 63.62911 4.860370 522.8714       58.68724 523.1547       65.47225 521.7133       132.3840 64.95574 4.166174 62.30248 8.782699 2.653259       9.720740 
1 1 1 -70 8  6  o 19.83468 7.848475 34.44067       55.85278 34.44067       55.85278 0.000000       0.000000 19.83468 7.848475 ?        ?        ?              ?        
1 1 1 -70 8  7  o 53.95534 6.530524 414.5625       60.03548 422.5681       65.89955 375.4908       145.5852 58.17509 4.682126 49.73558 12.19298 8.439510       13.06105 
1 1 1 -70 8  8  o 60.05672 6.285498 527.5762       61.80873 546.6732       67.84679 434.3843       149.8770 66.32848 4.227921 53.78496 11.83869 12.54351       12.57100 
1 1 1 -70 8  9  f 37.03045 6.815898 220.6513       57.15778 242.6190       62.74826 113.5872       138.5262 43.55997 5.954041 30.50093 12.26276 13.05903       13.63180 
1 1 1 -70 8  10 o 28.89644 7.359251 113.9195       57.97192 121.9843       63.21270 71.24331       145.4119 29.49854 8.433914 28.29434 12.06248 1.204203       14.71850 
1 1 1 -70 8  11 o 25.44589 7.229843 73.29680       56.75815 81.16135       61.24213 25.41345       151.1143 24.64342 8.483033 26.24836 11.70985 -1.604944      14.45969 
1 1 1 -70 8  12 o 19.48024 6.451098 -26.21907      58.54035 -21.00517      64.22919 -51.80250      142.2756 16.41779 7.451355 22.54269 10.53300 -6.124897      12.90220 
1 1 1 -70 8  13 o 26.29483 6.862453 102.6652       58.03604 125.9563       63.45151 -16.57347      143.5674 29.24547 8.476046 23.34418 10.79489 5.901287       13.72491 
1 1 1 -70 8  14 o 23.06227 6.926090 58.34590       61.22183 77.99421       65.97592 -63.43843      164.2550 23.59567 8.725842 22.52887 10.75837 1.066805       13.85218 
1 1 1 -70 10 7  o 22.69505 7.151510 -23.66982      77.45924 -75.57407      96.98312 67.76918       128.7243 18.12749 8.541139 27.26261 11.47281 -9.135124      14.30302 
1 1 1 -70 10 8  o 27.49744 7.584341 83.78931       56.12421 78.83362       60.43768 114.8364       151.2748 24.44891 8.426502 30.54598 12.61281 -6.097075      15.16868 
1 1 1 -70 10 9  o 51.95044 7.297331 474.7282       64.57587 510.3191       70.28190 281.8560       163.6097 63.69830 4.560509 40.20258 13.86383 23.49572       14.59466 
1 1 1 -70 10 10 o 25.62564 7.571753 16.13129       58.06876 -14.88679      62.79069 199.4051       152.6293 16.62053 7.471507 34.63076 13.17203 -18.01023      15.14351 
1 1 1 -70 10 11 o 44.54310 7.517446 224.1386       61.00644 182.5161       65.74854 481.8560       163.6041 35.91787 7.790338 53.16832 12.85918 -17.25045      15.03489 
1 1 1 -70 10 12 o 29.20251 8.158984 74.81809       62.05857 42.34618       66.71448 283.4027       169.0859 20.73238 8.446811 37.67265 13.96164 -16.94028      16.31797 
1 1 1 -70 10 13 o 59.38587 6.567958 419.2461       67.34761 367.1622       72.46133 749.6729       182.5123 52.62215 5.691614 66.14960 11.83883 -13.52745      13.13592 
1 1 1 -70 12 9  o 24.35869 7.838494 6.848869       92.80014 -17.31112      111.0156 62.89114       169.0805 21.16111 9.677978 27.55627 12.33307 -6.395168      15.67699 
1 1 1 -70 12 10 o 23.94427 7.741186 -42.98561      87.05168 -113.1588      100.9596 160.3807       171.8706 16.77052 8.116061 31.11803 13.18459 -14.34751      15.48237 
1 1 1 -70 12 11 f 20.41258 6.506173 14.29632       61.23557 45.48278       65.27340 -214.6342      176.8500 20.67235 8.380132 20.15281 9.954623 0.5195427      13.01235 
1 1 1 -70 12 12 o 53.23032 7.642507 470.9270       68.21661 470.2222       73.78615 475.0744       178.9811 59.88545 5.092737 46.57520 14.41165 13.31026       15.28501 
1 1 1 -69 1  1  o 22.07807 5.955947 45.00351       46.12774 76.30226       63.32733 9.628429       67.32500 24.84787 8.622081 19.30827 8.219061 5.539600       11.91189 
1 1 1 -69 1  2  o 59.89323 3.715801 452.6342       52.52390 568.5635       74.69667 339.2560       73.87026 67.79610 4.554013 51.99036 5.872790 15.80574       7.431602 
1 1 1 -69 1  3  o 73.60650 3.185774 668.8425       56.69622 703.0217       81.09061 636.1558       79.30048 75.46664 4.441332 71.74636 4.568500 3.720276       6.371548 
1 1 1 -69 1  4  o 32.42392 6.039020 138.8775       50.43499 201.7332       72.94395 81.30538       69.81086 38.99166 8.000660 25.85618 9.048120 13.13549       12.07804 
1 1 1 -69 1  5  o 87.69109 2.955222 946.1343       62.69287 959.3221       89.26105 933.2952       88.07309 88.29434 4.178562 87.08784 4.180068 1.206497       5.910444 
1 1 1 -69 1  6  o 61.47923 3.397482 467.0151       50.43216 509.8340       72.69649 427.2885       70.02235 64.22778 4.678301 58.73067 4.927985 5.497108       6.794964 
1 1 1 -69 1  7  o 34.12130 5.813194 156.6040       47.89819 188.4438       67.51439 124.3384       67.96439 37.77858 7.649026 30.46402 8.755871 7.314568       11.62639 
1 1 1 -69 1  8  o 18.77355 5.670877 6.043306       45.54926 7.117269       66.36883 5.087037       62.62670 19.08720 8.143569 18.45989 7.894156 0.6273098      11.34175 
1 1 1 -69 1  9  o 56.05252 3.865301 392.3291       52.32387 425.1480       75.09784 361.3663       72.94344 58.37725 5.317181 53.72779 5.611578 4.649464       7.730603 
1 1 1 -69 1  10 o 51.06448 4.271038 329.6960       52.64885 310.1330       75.19863 348.5056       73.73633 49.48990 6.280455 52.63907 5.789899 -3.149170      8.542075 
1 1 1 -69 1  11 f 63.82948 3.604742 510.0636       55.50394 555.9686       78.73916 464.7249       78.25198 66.77713 4.873721 60.88182 5.312579 5.895309       7.209483 
1 1 1 -69 1  12 o 31.28488 6.308375 135.6891       50.30835 153.0508       71.92888 119.0625       70.38960 33.16586 8.813650 29.40389 9.027843 3.761971       12.61675 
1 1 1 -69 1  13 o 32.98627 5.735695 146.8310       53.31234 250.9562       75.26035 41.95704       75.53043 43.78853 7.104010 22.18401 9.006988 21.60452       11.47139 
1 1 1 -69 1  14 o 17.94608 5.677849 -22.46177      51.99226 -62.08640      72.58878 19.28252       74.50499 15.64679 7.377477 20.24537 8.632769 -4.598586      11.35570 
1 1 1 -69 1  15 o 16.94243 5.514062 -44.98251      52.88607 -87.51023      71.74194 5.634049       78.26784 14.39967 6.937142 19.48519 8.572956 -5.085518      11.02812 
1 1 1 -69 1  16 o 29.09763 6.907253 131.3428       60.14540 178.1928       84.23199 82.60798       85.90969 33.45922 9.785654 24.73605 9.750978 8.723169       13.81451 
1 1 1 -69 3  1  o 37.70599 6.277967 208.2518       52.71431 229.1588       61.10409 147.4123       104.2359 42.63440 5.923902 32.77760 11.07063 9.856800       12.55593 
1 1 1 -69 3  2  o 35.73952 6.457500 142.6624       48.80486 112.7466       55.05312 252.4688       105.4740 29.04810 7.706607 42.43095 10.36366 -13.38284      12.91500 
1 1 1 -69 3  3  o 82.24350 3.677059 868.3447       62.63115 895.9844       72.67663 788.5782       123.4634 85.49783 3.513479 78.98916 6.460536 6.508675       7.354118 
1 1 1 -69 3  4  o 50.49742 4.895523 297.6549       54.03235 266.2611       62.72297 387.9833       106.3940 46.16511 5.615785 54.82973 8.020446 -8.664619      9.791046 
1 1 1 -69 3  5  o 48.30564 5.380438 295.1597       52.90598 287.4082       60.98530 318.7389       106.3647 48.07121 5.243700 48.54007 9.396811 -0.4688606     10.76088 
1 1 1 -69 3  6  o 42.14265 5.890188 226.6733       50.43648 220.0476       57.53584 248.6615       104.8136 41.96440 5.667025 42.32090 10.32773 -0.3564949     11.78038 
1 1 1 -69 3  7  o 14.27013 4.981697 -103.4215      46.43397 -92.18520      52.02728 -147.4123      102.9438 11.59159 5.658544 16.94867 8.200616 -5.357074      9.963394 
1 1 1 -69 3  8  o 49.31882 5.933720 360.0727       52.46134 387.0656       58.98086 257.8227       114.7936 55.99260 4.353898 42.64505 11.03991 13.34755       11.86744 
1 1 1 -69 3  9  o 57.34637 3.750260 408.3757       51.88709 448.5860       76.64758 374.3602       70.49657 59.94410 5.285058 54.74865 5.322214 5.195454       7.500519 
1 1 1 -69 3  10 o 16.64738 5.329213 -37.47064      47.26243 2.444507       68.19737 -74.35711      65.55901 18.87910 8.157516 14.41565 6.859809 4.463450       10.65843 
1 1 1 -69 3  11 o 35.53150 6.023654 173.0238       51.08731 181.9064       74.04359 164.9533       70.57771 36.39855 8.553035 34.66445 8.484293 1.734097       12.04731 
1 1 1 -69 3  12 o 29.53133 6.555446 118.9288       52.80345 148.3053       76.81757 92.61511       72.70291 32.45068 9.303411 26.61199 9.238075 5.838684       13.11089 
1 1 1 -69 3  13 o 17.46967 5.594614 -27.00736      51.27790 -5.667883      72.72050 -48.11068      72.31699 18.61476 8.223326 16.32458 7.587868 2.290180       11.18923 
1 1 1 -69 3  14 o 27.86759 6.717068 109.9775       54.28059 108.1450       77.59535 111.7335       75.95949 27.69871 9.547896 28.03647 9.450591 -0.3377571     13.43414 
1 1 1 -69 3  15 o 44.77281 5.796986 286.3029       60.60083 344.7146       85.42572 227.1279       85.98203 50.56521 6.982879 38.98041 9.255247 11.58480       11.59397 
1 1 1 -69 3  16 o 20.27148 6.304038 12.01310       60.83144 -23.50911      84.87425 49.53582       87.23145 18.19108 8.371885 22.35189 9.427359 -4.160803      12.60808 
1 1 1 -69 5  2  o 32.11198 5.624965 168.6600       51.76505 229.8871       59.21944 -29.64902      106.5771 42.75619 5.724834 21.46778 9.684379 21.28841       11.24993 
1 1 1 -69 5  3  o 78.12756 3.974748 799.1292       63.15491 832.5916       72.94746 698.9887       126.1934 82.32896 3.662311 73.92616 7.055634 8.402802       7.949496 
1 1 1 -69 5  4  o 107.4950 3.422685 1460.516       75.69360 1486.024       87.19585 1382.510       152.4814 110.1790 3.271106 104.8110 6.013232 5.368042       6.845370 
1 1 1 -69 5  5  o 36.68962 6.555039 183.7706       51.46317 188.0737       57.70422 167.0434       113.7702 38.62885 6.174381 34.75039 11.56508 3.878464       13.11008 
1 1 1 -69 5  6  o 44.47502 5.948474 244.4311       51.19727 231.8954       57.21183 294.8245       114.7091 43.07389 5.489964 45.87615 10.55451 -2.802261      11.89695 
1 1 1 -69 5  7  o 31.40052 6.937882 98.01660       49.84583 68.50853       55.57556 219.3932       112.7148 23.59921 8.083061 39.20184 11.27834 -15.60262      13.87576 
1 1 1 -69 5  8  o 26.21778 7.051126 68.81224       50.13637 63.71943       55.07372 93.45628       121.1495 22.99399 8.037101 29.44156 11.58786 -6.447569      14.10225 
1 1 1 -69 5  9  o 24.71095 6.940768 59.40742       53.36719 65.12548       59.16960 34.46758       123.5724 23.36144 8.315602 26.06046 11.11521 -2.699024      13.88154 
1 1 1 -69 5  10 o 30.51453 6.904315 136.5732       56.06895 157.6345       61.81481 38.82213       133.1712 34.21497 7.658466 26.81409 11.49026 7.400883       13.80863 
1 1 1 -69 5  11 o 62.16708 5.943147 554.0668       63.33776 576.5943       70.36101 457.8227       145.4328 68.15676 4.266982 56.17739 11.09400 11.97937       11.88629 
1 1 1 -69 5  12 o 30.38051 7.461177 44.59399       56.81081 -2.392756      61.87832 296.7281       143.3398 17.53295 7.670456 43.22807 12.80003 -25.69512      14.92235 
1 1 1 -69 5  13 o 61.55222 6.234135 561.3132       74.39214 603.8272       86.97614 445.4492       143.5849 68.96698 5.212627 54.13745 11.32635 14.82953       12.46827 
1 1 1 -69 5  14 o 30.49312 6.790404 138.3390       55.96894 132.6036       80.28600 143.7616       78.06480 29.89827 9.704040 31.08797 9.501052 -1.189699      13.58081 
1 1 1 -69 5  15 o 22.61332 6.129751 34.67337       55.88407 -64.57351      79.92085 129.6247       78.17219 16.13425 7.647327 29.09238 9.581950 -12.95813      12.25950 
1 1 1 -69 5  16 o 23.07861 6.599664 49.47269       62.27723 -25.09167      86.76024 128.7282       89.44783 18.13020 8.386600 28.02703 10.19251 -9.896826      13.19933 
1 1 1 -69 7  3  o 31.42171 5.684154 158.3593       55.35518 227.1959       62.96960 -75.75253      116.1269 42.32913 6.148785 20.51430 9.561948 21.81483       11.36831 
1 1 1 -69 7  4  o 32.91024 7.080045 144.2736       53.02562 143.4197       58.77794 148.0071       122.8997 32.70257 7.577374 33.11790 11.96209 -0.4153290     14.16009 
1 1 1 -69 7  5  o 25.74959 6.571012 83.67393       50.15805 102.3417       55.43238 -0.6558002     117.8170 27.64600 7.895632 23.85318 10.50580 3.792818       13.14202 
1 1 1 -69 7  6  o 57.14007 5.768278 478.5541       56.66889 509.3105       63.34420 355.2647       126.8240 64.23850 4.075765 50.04164 10.79260 14.19687       11.53656 
1 1 1 -69 7  7  o 23.80374 6.911952 47.70287       52.55044 54.65055       57.31064 11.01487       131.6974 22.10386 8.140228 25.50362 11.17305 -3.399761      13.82390 
1 1 1 -69 7  8  o 49.52900 6.628609 329.2282       57.48193 326.5751       62.81555 342.8911       142.5473 51.11481 5.079467 47.94320 12.24552 3.171608       13.25722 
1 1 1 -69 7  9  o 43.51848 7.005450 264.5198       58.27566 265.5677       64.05775 259.4884       140.3602 45.82676 5.777636 41.21019 12.76418 4.616570       14.01090 
1 1 1 -69 7  10 o 78.32822 4.489135 742.7274       65.61005 718.6569       72.19726 856.8709       157.2187 76.23083 3.914603 80.42561 8.079927 -4.194786      8.978271 
1 1 1 -69 7  11 o 40.00542 7.455551 171.0031       58.57063 132.3550       63.88096 374.8959       146.7264 30.84673 8.353763 49.16411 12.35134 -18.31738      14.91110 
1 1 1 -69 7  12 o 41.23197 7.041275 293.7370       61.58208 322.0117       67.13947 143.8430       154.5864 50.24288 5.523330 32.22106 12.95419 18.02182       14.08255 
1 1 1 -69 7  13 o 40.55648 7.435914 225.2883       60.30053 209.2625       66.30346 301.9631       145.0281 39.07055 7.282218 42.04242 12.96690 -2.971870      14.87183 
1 1 1 -69 7  14 o 39.83025 7.161626 251.4789       59.52452 256.4855       65.33051 227.0077       144.4345 44.10320 6.122710 35.55730 12.94867 8.545902       14.32325 
1 1 1 -69 7  15 o 33.39803 7.541965 192.9133       64.65378 200.6491       70.72919 153.5990       159.4494 36.85474 8.148835 29.94133 12.69336 6.913404       15.08393 
1 1 1 -69 9  4  o 38.12839 7.605985 212.3075       90.07145 360.4997       119.1548 14.72933       137.5841 50.44405 10.11542 25.81273 11.36144 24.63132       15.21197 
1 1 1 -69 9  5  o 36.52886 6.797385 145.7342       53.82627 103.7183       60.79918 298.0369       115.7563 27.66691 8.369328 45.39080 10.71318 -17.72389      13.59477 
1 1 1 -69 9  6  o 43.48856 5.737181 239.3326       60.36370 239.3326       60.36370 0.000000       0.000000 43.48856 5.737181 ?        ?        ?              ?        
1 1 1 -69 9  7  f 27.32880 6.449911 107.3267       54.04594 141.1254       59.50785 -51.85009      129.1410 32.22242 7.732033 22.43519 10.32575 9.787222       12.89982 
1 1 1 -69 9  8  o 25.32390 7.240246 3.657964       54.89294 -30.62879      59.96603 180.9637       136.3652 15.57899 7.120356 35.06882 12.60893 -19.48983      14.48049 
1 1 1 -69 9  9  o 25.10146 6.635646 78.59499       54.85033 107.0349       59.99615 -66.18679      135.3681 27.91255 8.284806 22.29037 10.36770 5.622181       13.27129 
1 1 1 -69 9  10 o 53.01353 6.932069 407.1112       61.75143 411.4792       67.23922 383.5812       156.0602 57.19382 4.859272 48.83324 12.98468 8.360580       13.86414 
1 1 1 -69 9  11 o 21.09302 6.743237 8.049807       56.26630 18.88163       60.46581 -61.90363      153.6610 18.75462 7.876220 23.43143 10.94761 -4.676807      13.48647 
1 1 1 -69 9  12 o 22.34684 7.000207 24.52034       59.49078 29.98921       64.69462 -5.430101      151.3983 19.91691 8.238061 24.77676 11.32016 -4.859850      14.00041 
1 1 1 -69 9  13 o 26.46239 7.398307 91.95533       60.25263 97.03861       65.56011 64.31886       152.8653 25.98682 8.779766 26.93796 11.91031 -0.9511471     14.79661 
1 1 1 -69 9  14 o 34.58944 7.021016 212.5822       61.13380 229.7159       65.88384 106.4486       163.9759 41.09561 6.626454 28.08326 12.38018 13.01234       14.04203 
1 1 1 -69 11 7  o 25.18970 6.225372 64.43701       64.60165 153.3517       72.40417 -282.6889      143.0607 32.84173 8.893434 17.53768 8.713659 15.30405       12.45074 
1 1 1 -69 11 8  o 19.34937 6.325800 -10.34309      53.45548 9.729565       56.88475 -161.9274      156.3222 17.66093 7.537275 21.03780 10.16132 -3.376875      12.65160 
1 1 1 -69 11 9  o 28.24238 7.818383 92.72785       59.15220 89.41306       63.22834 115.9786       167.4565 25.60693 8.622359 30.87784 13.04467 -5.270908      15.63677 
1 1 1 -69 11 10 o 58.38650 7.407796 584.0148       67.17850 617.4622       72.80892 392.5045       174.2209 70.13260 4.291039 46.64040 14.18058 23.49220       14.81559 
1 1 1 -69 11 11 o 34.52364 7.276401 203.3518       63.00341 221.8043       68.31119 98.26295       163.0208 40.02771 7.323783 29.01956 12.57562 11.00815       14.55280 
1 1 1 -69 11 12 o 39.04623 8.375259 196.1544       63.43924 167.2262       67.81361 398.9292       179.5406 33.70487 8.357374 44.38758 14.51669 -10.68271      16.75052 
1 1 1 -69 11 13 o 45.73804 7.670114 271.0764       62.84277 237.2491       67.50511 490.8983       172.0831 41.60401 6.706549 49.87208 13.79655 -8.268066      15.34023 
1 1 1 -69 13 9  o 33.68044 13.50540 202.6175       167.5408 0.000000       0.000000 202.6175       167.5408 ?        ?        33.68044 13.50540 ?              ?        
1 1 1 -69 13 10 o 19.60465 6.707016 -91.50093      85.10991 -79.28614      98.56428 -127.3052      168.7500 17.55533 8.369605 21.65396 10.48265 -4.098629      13.41403 
1 1 1 -69 13 11 o 31.67785 6.854103 190.6138       67.00266 228.8643       71.97517 -57.87032      183.4483 39.75105 7.762455 23.60465 11.29864 16.14640       13.70821 
1 1 1 -69 13 12 o 18.21520 6.227765 -40.58066      62.15434 -21.71064      66.50378 -170.8507      174.7360 16.11398 7.414007 20.31643 10.00863 -4.202450      12.45553 
1 1 1 -68 0  1  o 25.79762 7.888659 120.4872       71.74401 120.4872       71.74401 120.4872       71.74401 25.79762 11.15625 25.79762 11.15625 0.000000       0.000000 
1 1 1 -68 0  2  o 9.737371 4.882735 -85.91631      68.24358 -85.91631      68.24358 -85.91631      68.24358 9.737371 6.905231 9.737371 6.905231 0.000000       0.000000 
1 1 1 -68 0  3  o 17.20364 7.008466 48.60170       66.30034 48.60170       66.30034 48.60170       66.30034 17.20364 9.911468 17.20364 9.911468 0.000000       0.000000 
1 1 1 -68 0  4  o 18.66561 7.263272 62.34058       67.12437 62.34058       67.12437 62.34058       67.12437 18.66561 10.27182 18.66561 10.27182 0.000000       0.000000 
1 1 1 -68 0  5  o 51.56575 4.367460 340.2801       74.13200 340.2801       74.13200 340.2801       74.13200 51.56575 6.176521 51.56575 6.176521 0.000000       0.000000 
1 1 1 -68 0  6  o 26.40628 7.420611 120.2920       64.73022 120.2920       64.73022 120.2920       64.73022 26.40628 10.49433 26.40628 10.49433 0.000000       0.000000 
1 1 1 -68 0  7  o 9.334852 4.658518 -69.01216      59.66899 -69.01216      59.66899 -69.01216      59.66899 9.334852 6.588139 9.334852 6.588139 0.000000       0.000000 
1 1 1 -68 0  8  o 23.73624 7.496656 102.4950       64.70854 102.4950       64.70854 102.4950       64.70854 23.73624 10.60187 23.73624 10.60187 0.000000       0.000000 
1 1 1 -68 0  9  o 18.66824 7.269397 62.79004       67.29139 62.79004       67.29139 62.79004       67.29139 18.66824 10.28048 18.66824 10.28048 0.000000       0.000000 
1 1 1 -68 0  10 o 48.33818 4.654480 303.8821       72.94334 303.8821       72.94334 303.8821       72.94334 48.33818 6.582428 48.33818 6.582428 0.000000       0.000000 
1 1 1 -68 0  11 o 11.96632 5.662463 -19.04799      64.26569 -19.04799      64.26569 -19.04799      64.26569 11.96632 8.007932 11.96632 8.007932 0.000000       0.000000 
1 1 1 -68 0  12 o 10.86294 5.335781 -55.88072      69.74428 -55.88072      69.74428 -55.88072      69.74428 10.86294 7.545934 10.86294 7.545934 0.000000       0.000000 
1 1 1 -68 0  13 o 28.99643 7.724371 145.0956       71.71659 145.0956       71.71659 145.0956       71.71659 28.99643 10.92391 28.99643 10.92391 0.000000       0.000000 
1 1 1 -68 0  14 o 9.300602 4.701987 -97.71884      68.27521 -97.71884      68.27521 -97.71884      68.27521 9.300602 6.649614 9.300602 6.649614 0.000000       0.000000 
1 1 1 -68 0  15 o 27.95139 8.388785 147.8637       81.37925 147.8637       81.37925 147.8637       81.37925 27.95139 11.86353 27.95139 11.86353 0.000000       0.000000 
1 1 1 -68 0  16 o 11.25542 5.604481 -80.30521      84.86119 -80.30521      84.86119 -80.30521      84.86119 11.25542 7.925932 11.25542 7.925932 0.000000       0.000000 
1 1 1 -68 0  17 o 20.58710 8.224509 92.58643       88.83970 92.58643       88.83970 92.58643       88.83970 20.58710 11.63121 20.58710 11.63121 0.000000       0.000000 
1 1 1 -68 2  1  o 89.60310 3.582203 977.4340       66.22146 959.2374       75.68069 1036.883       136.7923 88.46616 3.535945 90.74004 6.231036 -2.273880      7.164406 
1 1 1 -68 2  2  o 27.15947 6.845181 86.74770       50.92326 87.77764       57.93403 83.24807       106.7919 26.07166 8.220696 28.24728 10.94743 -2.175619      13.69036 
1 1 1 -68 2  3  o 44.46937 5.943869 256.4539       52.55746 254.1026       59.75760 264.4854       110.4430 45.20086 5.464422 43.73788 10.55739 1.462978       11.88774 
1 1 1 -68 2  4  o 44.60335 5.856646 262.9071       50.92966 265.4607       57.69676 253.8965       108.3810 46.28803 5.152054 42.91867 10.51939 3.369362       11.71329 
1 1 1 -68 2  5  o 21.86376 6.108049 42.58845       44.98991 57.98659       51.08248 -10.65913      94.99215 22.24051 7.742272 21.48701 9.449353 0.7535038      12.21610 
1 1 1 -68 2  6  o 28.32966 5.976983 105.5549       45.37833 73.04694       66.67605 133.6044       61.93517 24.93649 8.832545 31.72282 8.055027 -6.786327      11.95397 
1 1 1 -68 2  7  o 30.42369 5.934048 123.3844       45.98160 93.15874       65.98548 151.9169       64.11066 27.01398 8.798898 33.83339 7.964365 -6.819405      11.86810 
1 1 1 -68 2  8  o 18.02471 5.518261 -1.932946      44.33953 2.643450       62.15548 -6.675012      63.27052 18.27109 7.840233 17.77834 7.767597 0.4927483      11.03652 
1 1 1 -68 2  9  o 43.40134 4.936348 242.5299       50.21372 281.4253       71.94193 205.5807       70.11901 47.29336 6.287523 39.50932 7.611648 7.784042       9.872696 
1 1 1 -68 2  10 o 27.02365 5.319093 71.38145       46.85739 -36.87567      64.68781 190.8903       67.96641 16.10568 7.373851 37.94161 7.667941 -21.83593      10.63819 
1 1 1 -68 2  11 o 42.59917 4.992483 236.1394       49.98359 207.6027       70.58418 264.8437       70.79119 39.51053 7.660521 45.68782 6.404371 -6.177292      9.984966 
1 1 1 -68 2  12 o 32.06734 6.204495 140.4955       51.09097 186.9917       73.24025 96.42307       71.30567 37.00929 8.375114 27.12538 9.156446 9.883913       12.40899 
1 1 1 -68 2  13 o 18.00895 5.631163 -23.02389      50.43027 26.49022       72.12862 -70.37608      70.53638 20.82158 8.662391 15.19633 7.197428 5.625252       11.26233 
1 1 1 -68 2  14 o 20.38564 5.978263 15.91710       50.88372 64.84892       73.10004 -30.07805      70.87254 23.77481 9.098280 16.99647 7.757565 6.778343       11.95653 
1 1 1 -68 2  15 o 19.63250 6.066636 6.070804       54.96545 22.97797       76.71540 -11.76405      78.79195 20.56427 8.764100 18.70074 8.390878 1.863529       12.13327 
1 1 1 -68 2  16 o 56.65155 4.677177 430.5508       64.05857 410.3009       88.82681 452.4949       92.46785 55.23804 6.646660 58.06506 6.582238 -2.827019      9.354355 
1 1 1 -68 2  17 o 30.53173 6.917531 149.4166       65.05396 236.7445       91.55002 60.34971       92.45709 38.06336 9.861640 23.00010 9.703453 15.06326       13.83506 
1 1 1 -68 4  1  o 59.67975 4.308098 409.6191       54.19678 373.0350       61.73732 532.5402       113.1656 54.87389 4.650287 64.48562 7.253527 -9.611732      8.616196 
1 1 1 -68 4  2  f 33.96721 6.583952 157.4842       49.81208 161.3781       56.21313 143.2481       107.4836 35.14008 6.858168 32.79434 11.24096 2.345745       13.16790 
1 1 1 -68 4  3  o 43.63227 6.160315 286.2931       52.74159 315.2849       60.06663 188.6972       110.2075 50.44838 4.921344 36.81615 11.29506 13.63223       12.32063 
1 1 1 -68 4  4  o 20.76593 6.220159 -0.8549966     47.56758 -20.79362      54.72789 60.73766       96.18905 15.57372 6.990090 25.95815 10.29078 -10.38443      12.44032 
1 1 1 -68 4  5  o 39.96889 6.079441 236.6438       51.02560 263.8409       58.86366 154.4319       102.3419 46.09588 5.278163 33.84190 10.95351 12.25398       12.15888 
1 1 1 -68 4  6  o 70.31218 4.169719 651.1265       58.81585 682.0695       67.65585 555.3837       119.0083 74.59109 3.749006 66.03328 7.449240 8.557808       8.339437 
1 1 1 -68 4  7  o 59.77147 4.841650 487.5154       55.61414 516.4169       63.28678 389.5301       116.5288 64.82541 4.035203 54.71752 8.802467 10.10789       9.683300 
1 1 1 -68 4  8  o 35.80616 6.845235 155.4517       51.25265 141.3459       57.11271 213.8013       116.1590 32.69804 7.393002 38.91428 11.52270 -6.216244      13.69047 
1 1 1 -68 4  9  o 27.54483 6.079613 107.8798       50.65445 148.3580       57.72473 -27.66210      105.6302 33.48709 7.328480 21.60258 9.702584 11.88451       12.15923 
1 1 1 -68 4  10 o 26.40845 6.940453 78.02399       50.94512 78.70291       56.72648 75.19334       115.8305 24.82361 8.161799 27.99328 11.22785 -3.169666      13.88091 
1 1 1 -68 4  11 o 27.75302 7.253719 64.64943       51.29379 43.72354       56.23678 168.2332       125.1193 20.88896 7.983424 34.61707 12.11324 -13.72812      14.50744 
1 1 1 -68 4  12 o 53.68999 4.266661 366.6791       55.31199 340.2065       78.02682 393.4196       78.42058 51.64852 6.244299 55.73148 5.816038 -4.082958      8.533321 
1 1 1 -68 4  13 o 25.40685 6.543176 79.72203       52.19433 94.61597       76.54680 66.78020       71.35431 26.82846 9.467943 23.98524 9.033863 2.843220       13.08635 
1 1 1 -68 4  14 o 53.50351 4.347645 370.3301       56.27686 371.7099       79.44866 368.9406       79.72707 53.61697 6.124660 53.39005 6.172246 0.2269287      8.695291 
1 1 1 -68 4  15 f 24.78855 5.945905 50.35217       53.95734 -61.01707      75.13958 168.9232       77.53101 15.87636 7.491902 33.70074 9.235071 -17.82438      11.89181 
1 1 1 -68 4  16 o 34.05828 6.895622 184.1140       59.99073 197.4101       81.56284 168.4437       88.54617 35.76599 9.328598 32.35058 10.15754 3.415413       13.79124 
1 1 1 -68 6  1  o 27.44243 6.926277 93.18474       52.76489 97.78324       59.81792 77.06128       112.0089 27.11648 8.321808 27.76838 11.07433 -0.6519070     13.85255 
1 1 1 -68 6  2  o 29.10805 6.937820 83.61864       48.94833 60.13411       54.65311 178.8221       110.0399 22.57827 7.996719 35.63783 11.33957 -13.05956      13.87564 
1 1 1 -68 6  3  o 35.99433 6.475818 177.5612       50.98883 183.3737       57.61851 156.5735       109.4866 38.13412 6.245194 33.85453 11.34647 4.279587       12.95164 
1 1 1 -68 6  4  o 22.42400 6.478516 -10.56101      49.49982 -45.46626      55.91508 115.9072       106.4325 14.30305 6.656186 30.54494 11.11665 -16.24189      12.95703 
1 1 1 -68 6  5  o 40.62407 6.204449 172.5609       51.53515 128.4375       57.82201 343.0101       113.6465 31.05121 7.727639 50.19693 9.708982 -19.14572      12.40890 
1 1 1 -68 6  6  o 47.93991 6.173049 386.2206       53.92509 445.0805       61.06509 177.7513       114.9223 60.10680 4.199205 35.77301 11.61003 24.33379       12.34610 
1 1 1 -68 6  7  o 34.20035 6.314333 182.5765       51.86121 211.7834       57.60263 57.58477       119.1626 41.11343 5.791037 27.28728 11.22262 13.82615       12.62867 
1 1 1 -68 6  8  o 27.17419 7.203808 51.94902       50.78102 29.42469       55.56601 166.0916       125.0856 19.53334 7.796904 34.81505 12.11560 -15.28171      14.40762 
1 1 1 -68 6  9  o 26.86806 7.307300 44.37871       52.63616 20.79067       57.50633 166.2106       130.6924 18.96548 7.797665 34.77064 12.36054 -15.80516      14.61460 
1 1 1 -68 6  10 o 25.45648 6.734545 77.47509       55.37359 104.5284       60.81831 -53.64664      133.8940 27.89544 8.355454 23.01752 10.56422 4.877920       13.46909 
1 1 1 -68 6  11 o 41.01861 7.170070 191.0926       55.38183 165.8036       60.16004 331.5883       141.7990 35.21099 7.301567 46.82623 12.34207 -11.61523      14.34014 
1 1 1 -68 6  12 o 75.28575 4.576584 628.2380       65.27410 573.1298       71.39118 909.1017       161.1701 67.86368 4.348154 82.70782 8.054443 -14.84414      9.153169 
1 1 1 -68 6  13 o 83.68456 4.700838 957.2383       71.38611 986.2659       79.34349 833.9084       163.5462 89.25624 3.674264 78.11287 8.653975 11.14337       9.401676 
1 1 1 -68 6  14 o 37.03312 7.002147 207.7767       57.42951 213.6683       63.71840 182.2724       132.5731 40.32126 6.531734 33.74499 12.38776 6.576271       14.00429 
1 1 1 -68 6  15 o 36.61243 6.369475 200.5747       56.01932 192.7908       81.86250 207.4298       76.82390 35.63446 9.370650 37.59039 8.629704 -1.955936      12.73895 
1 1 1 -68 6  16 o 26.55719 6.483341 83.67595       61.37835 -26.75453      85.66487 200.1714       87.98585 18.05331 8.344859 35.06106 9.924625 -17.00775      12.96668 
1 1 1 -68 8  2  o 50.08976 7.224954 367.1693       85.48917 481.6181       115.9196 230.6960       126.5828 60.71577 7.891378 39.46374 12.10479 21.25203       14.44991 
1 1 1 -68 8  3  o 26.30541 7.000380 79.48368       53.64849 85.97730       59.79822 52.69482       121.4568 25.71859 8.376185 26.89223 11.21877 -1.173641      14.00076 
1 1 1 -68 8  4  o 30.32638 7.132585 118.4136       52.27499 119.9170       57.42136 111.1362       126.3342 29.86495 7.845505 30.78782 11.91399 -0.9228687     14.26517 
1 1 1 -68 8  5  o 30.42301 7.133026 86.08038       50.60580 58.41154       55.85141 212.9685       119.6049 22.44674 8.069575 38.39928 11.76445 -15.95254      14.26605 
1 1 1 -68 8  6  o 31.69131 5.877985 165.1573       50.03457 205.3219       54.99442 -27.86437      120.5591 40.45263 5.619135 22.92999 10.32609 17.52265       11.75597 
1 1 1 -68 8  7  o 30.69871 7.143092 125.4273       53.13790 130.6171       58.11756 98.97681       131.2052 31.17385 7.741127 30.22358 12.00708 0.9502697      14.28618 
1 1 1 -68 8  8  o 43.65957 6.831908 233.6630       55.27231 219.1556       60.26292 310.5294       138.7151 41.64412 5.981280 45.67502 12.28512 -4.030903      13.66382 
1 1 1 -68 8  9  o 45.49612 6.835226 289.0028       57.79681 291.3779       63.63478 277.8108       138.1343 48.14115 5.463562 42.85110 12.53119 5.290043       13.67045 
1 1 1 -68 8  10 o 25.42746 7.136726 61.56993       55.10947 57.04741       61.46550 80.10708       124.4406 22.53851 8.404919 28.31641 11.53641 -5.777901      14.27345 
1 1 1 -68 8  11 o 46.22408 6.624986 233.1418       56.97842 195.2978       62.13151 433.3135       142.8941 38.29582 6.962389 54.15234 11.27328 -15.85651      13.24997 
1 1 1 -68 8  12 o 57.09084 6.424146 420.1444       62.13158 404.7814       67.44720 506.2463       159.6732 56.67038 4.919324 57.51129 11.86924 -0.8409042     12.84829 
1 1 1 -68 8  13 o 34.24723 6.423061 204.3583       58.67490 243.5728       64.59417 19.33373       140.3087 43.26639 6.170785 25.22807 11.26695 18.03832       12.84612 
1 1 1 -68 8  14 o 25.91044 7.491434 72.59703       58.28027 66.26525       63.17561 108.7686       150.9977 22.82441 8.519166 28.99648 12.32518 -6.172075      14.98287 
1 1 1 -68 8  15 o 34.15871 7.529291 199.4954       62.82283 205.9127       67.83951 160.8566       166.4627 37.80811 7.678507 30.50931 12.95382 7.298796       15.05858 
1 1 1 -68 10 4  o 24.49764 7.277416 6.433524       82.69600 106.6389       107.2300 -140.6306      129.9045 29.27360 11.06308 19.72169 9.457876 9.551912       14.55483 
1 1 1 -68 10 5  o 39.09364 6.618982 220.4048       55.25058 230.4590       62.56139 184.7710       117.7785 42.58493 6.072229 35.60236 11.76315 6.982571       13.23796 
1 1 1 -68 10 6  o 34.99556 7.327272 163.9932       60.04872 163.9932       60.04872 0.000000       0.000000 34.99556 7.327272 ?        ?        ?              ?        
1 1 1 -68 10 7  o 61.25763 5.648215 531.3756       61.44383 554.9376       68.91924 440.0952       135.6513 66.88448 4.259050 55.63078 10.46278 11.25370       11.29643 
1 1 1 -68 10 8  o 46.69038 6.866837 298.6107       60.20281 295.3719       66.57262 313.1469       141.0365 48.28463 5.698813 45.09614 12.49549 3.188496       13.73367 
1 1 1 -68 10 9  o 34.65913 7.285067 181.2292       59.07089 192.6569       64.63161 123.2600       145.5672 37.86140 7.320607 31.45687 12.59752 6.404531       14.57013 
1 1 1 -68 10 10 f 25.57788 7.338286 66.06080       55.92459 68.76226       60.22591 49.14931       150.6867 23.46529 8.385561 27.69047 12.04509 -4.225172      14.67657 
1 1 1 -68 10 11 o 20.87126 6.795702 -5.456466      56.59911 -0.2017301E-01 60.68380 -41.80845      156.9225 17.41391 7.607797 24.32860 11.26267 -6.914696      13.59140 
1 1 1 -68 10 12 o 22.93337 6.515829 49.22542       60.99458 97.26817       66.24043 -218.5604      156.3878 26.34387 8.825569 19.52287 9.588191 6.820995       13.03166 
1 1 1 -68 10 13 o 36.74678 7.390862 217.5039       61.70981 223.9972       66.93610 180.7258       159.3015 40.85965 6.771165 32.63390 13.13966 8.225750       14.78172 
1 1 1 -68 10 14 o 28.12110 6.284766 138.0745       60.88013 188.3801       65.82447 -159.5479      160.1077 36.04232 7.776937 20.19988 9.874837 15.84244       12.56953 
1 1 1 -68 12 6  o 39.21058 13.95842 254.8483       166.7221 0.000000       0.000000 254.8483       166.7221 ?        ?        39.21058 13.95842 ?              ?        
1 1 1 -68 12 7  o 27.96510 8.160087 71.63527       83.21815 44.74718       99.67727 133.4920       151.1853 24.17180 10.12989 31.75839 12.79584 -7.586582      16.32017 
1 1 1 -68 12 8  o 48.43480 7.076597 431.0948       59.92749 469.1032       64.71564 202.3795       158.7512 61.23686 4.368115 35.63273 13.46226 25.60413       14.15319 
1 1 1 -68 12 9  o 66.49083 6.431432 635.8701       66.32913 644.0994       71.75079 587.5074       173.9400 71.81504 4.129610 61.16662 12.18194 10.64842       12.86286 
1 1 1 -68 12 10 o 25.90208 7.718658 36.26601       60.11019 13.53932       64.94234 172.1594       158.8032 18.73468 8.025925 33.06949 13.18694 -14.33481      15.43732 
1 1 1 -68 12 11 o 46.90258 7.493236 270.3229       63.38379 237.8944       68.38409 468.0547       168.8613 42.24079 6.691457 51.56438 13.40965 -9.323586      14.98647 
1 1 1 -68 12 12 o 35.74964 8.457700 142.5282       62.31874 105.9618       66.55549 402.6175       177.5021 26.77526 8.842463 44.72401 14.42018 -17.94875      16.91540 
1 1 1 -68 12 13 o 25.44559 7.594315 75.67963       61.12663 69.93132       65.51787 114.3010       169.8257 22.73651 8.634352 28.15468 12.49570 -5.418175      15.18863 
1 1 1 -68 14 10 o 25.25709 7.845427 59.68632       87.58673 62.91493       104.5765 52.09994       160.3037 24.30512 10.29049 26.20906 11.84520 -1.903940      15.69085 
1 1 1 -68 14 11 o 29.61006 8.216825 155.1823       89.98366 187.9833       102.6251 46.10351       187.1460 32.90784 10.98540 26.31227 12.22235 6.595570       16.43365 
1 1 1 -67 1  1  o 43.87693 4.950485 243.5626       52.54041 242.8334       75.00175 244.2652       73.62411 43.79088 7.079220 43.96299 6.921984 -0.1721115     9.900970 
1 1 1 -67 1  2  o 18.80870 5.739031 -0.2740377     47.58635 -0.8201312     66.29160 0.3064979      68.35014 18.63524 8.047451 18.98217 8.184403 -0.3469296     11.47806 
1 1 1 -67 1  3  o 28.27943 6.206646 103.3977       47.11879 90.72318       66.76752 115.9729       66.50532 26.86908 8.855723 29.68978 8.698621 -2.820700      12.41329 
1 1 1 -67 1  4  o 106.3949 2.758211 1382.742       70.90264 1320.111       97.23747 1453.849       103.6084 103.8386 3.870549 108.9512 3.930617 -5.112602      5.516421 
1 1 1 -67 1  5  o 62.07475 3.448065 474.9691       51.75438 454.4073       72.82522 495.9502       73.56387 60.69759 4.959158 63.45191 4.792008 -2.754318      6.896129 
1 1 1 -67 1  6  f 20.54050 5.864548 27.99585       45.00536 27.95388       62.89933 28.03988       64.42236 20.44916 8.248461 20.63184 8.338740 -0.1826801     11.72910 
1 1 1 -67 1  7  o 26.39317 5.554548 73.07247       44.58600 160.4149       66.03813 -0.9224481E-01 60.44121 34.87173 7.997712 17.91460 7.710294 16.95713       11.10910 
1 1 1 -67 1  8  o 67.01176 3.351367 554.0339       54.06446 626.4467       77.44518 485.1966       75.50898 71.35181 4.486287 62.67170 4.979948 8.680111       6.702734 
1 1 1 -67 1  9  o 46.47366 4.353251 271.6970       48.20830 216.5780       67.40111 329.4285       68.97997 41.47321 6.717336 51.47412 5.539005 -10.00091      8.706503 
1 1 1 -67 1  10 o 58.55007 3.649428 425.0387       51.59206 389.3061       71.77023 463.2478       74.21558 55.96561 5.300548 61.13453 5.017718 -5.168911      7.298856 
1 1 1 -67 1  11 o 49.82205 4.247068 311.6748       51.17490 320.6521       73.56496 303.2570       71.23569 50.51260 6.019619 49.13151 5.992875 1.381084       8.494137 
1 1 1 -67 1  12 o 45.87370 4.924618 276.3875       51.09482 373.8728       73.65480 185.9570       70.93964 54.59116 5.576690 37.15624 8.118373 17.43491       9.849236 
1 1 1 -67 1  13 o 17.94611 5.432089 -24.85715      47.08898 49.78312       66.66917 -99.16119      66.51884 22.31832 8.649740 13.57390 6.573611 8.744417       10.86418 
1 1 1 -67 1  14 o 42.42420 5.373663 241.3987       53.48362 281.1272       75.88964 202.1944       75.38737 46.59639 6.731749 38.25200 8.377862 8.344391       10.74733 
1 1 1 -67 1  15 o 19.92280 5.916961 15.41210       50.29477 -25.54388      72.46581 53.47640       69.86078 17.37414 7.896682 22.47147 8.813859 -5.097334      11.83392 
1 1 1 -67 1  16 o 27.26593 6.829504 105.2171       57.62813 135.7372       81.15584 74.17610       81.84550 30.03452 9.756867 24.49735 9.558870 5.537167       13.65901 
1 1 1 -67 1  17 o 26.70279 7.132176 107.5828       63.03117 103.5734       88.76831 111.6600       89.51547 26.37263 10.04186 27.03295 10.13078 -0.6603279     14.26435 
1 1 1 -67 3  1  o 46.54675 5.848730 263.0576       54.84962 244.9295       62.24955 325.9964       115.9896 44.27866 5.810847 48.81483 10.15207 -4.536167      11.69746 
1 1 1 -67 3  2  o 41.87254 6.136313 225.3438       52.57726 220.7976       59.96826 240.4521       109.3210 42.06588 5.892358 41.67920 10.76557 0.3866882      12.27263 
1 1 1 -67 3  3  o 27.86725 6.855819 86.23251       49.00740 78.38155       55.30346 114.9435       105.7584 24.94851 8.049582 30.78599 11.10015 -5.837479      13.71164 
1 1 1 -67 3  4  o 23.27583 6.541265 23.44026       47.44014 2.255252       53.60884 99.92862       101.8638 17.09482 7.306884 29.45683 10.85182 -12.36202      13.08253 
1 1 1 -67 3  5  o 51.00587 5.537362 378.3894       52.69134 417.3825       60.73471 259.7263       105.9499 58.29445 4.306332 43.71729 10.20319 14.57716       11.07472 
1 1 1 -67 3  6  f 20.47371 6.029617 16.17010       43.96097 8.579373       50.96352 38.23914       86.89793 17.22115 7.231495 23.72626 9.650419 -6.505112      12.05923 
1 1 1 -67 3  7  o 110.3593 3.299791 1451.286       74.67930 1409.243       84.87096 1595.479       157.1767 107.4478 3.264822 113.2708 5.735452 -5.823074      6.599581 
1 1 1 -67 3  8  o 50.06767 5.082850 290.0821       52.25620 268.0034       58.93048 371.3266       113.0445 46.50669 5.237478 53.62864 8.712649 -7.121941      10.16570 
1 1 1 -67 3  9  o 19.57567 6.155303 -14.53389      45.91411 -22.85032      50.93778 21.49911       106.0283 14.82951 6.691963 24.32183 10.33289 -9.492321      12.31061 
1 1 1 -67 3  10 o 71.30199 3.197796 620.0587       54.71618 742.6391       82.16642 522.3893       73.34372 77.60247 4.376395 65.00150 4.663772 12.60098       6.395593 
1 1 1 -67 3  11 f 38.01798 5.615353 192.1059       49.92939 209.8636       73.12601 176.5972       68.33849 39.71596 7.888466 36.32000 7.993801 3.395958       11.23071 
1 1 1 -67 3  12 o 52.54939 4.353553 349.8573       54.85911 410.5251       78.99549 293.3440       76.24271 57.11502 5.716757 47.98375 6.567526 9.131264       8.707107 
1 1 1 -67 3  13 o 84.83240 3.155329 894.9576       64.68971 843.5560       91.06727 947.3135       91.90867 82.31550 4.572760 87.34929 4.349054 -5.033791      6.310658 
1 1 1 -67 3  14 o 15.78682 5.229374 -57.72644      50.18187 -70.77755      69.93910 -43.87813      72.04345 15.04761 7.138525 16.52602 7.643748 -1.478417      10.45875 
1 1 1 -67 3  15 o 37.62044 5.765281 204.9622       55.60931 323.7290       78.11150 82.90411       79.18642 49.76390 6.487813 25.47697 9.532164 24.28692       11.53056 
1 1 1 -67 3  16 o 23.04488 6.508289 52.24182       58.00877 98.48904       79.41615 -0.6567509     84.93525 26.37543 9.602120 19.71432 8.788094 6.661110       13.01658 
1 1 1 -67 3  17 o 23.01850 6.586883 49.81696       60.66517 -12.07139      83.48444 119.0594       88.30542 18.55499 8.449748 27.48201 10.10692 -8.927017      13.17377 
1 1 1 -67 5  1  o 57.33642 4.944013 402.2956       57.11327 389.9045       64.50856 447.2338       122.8488 56.11760 4.751339 58.55524 8.671669 -2.437645      9.888026 
1 1 1 -67 5  2  o 62.85692 5.259243 577.6656       58.69333 631.7484       66.77032 393.8132       123.1086 71.75028 3.846427 53.96355 9.789971 17.78673       10.51849 
1 1 1 -67 5  3  o 28.57925 6.421504 114.1478       49.11404 135.4772       54.65561 24.67579       111.9409 32.11408 7.211080 25.04442 10.62747 7.069660       12.84301 
1 1 1 -67 5  4  o 33.47184 6.543045 98.20088       49.29600 53.61139       55.12741 276.1451       110.1269 22.05783 8.004718 44.88585 10.35231 -22.82802      13.08609 
1 1 1 -67 5  5  o 112.2753 3.148982 1002.461       64.55440 769.5544       69.06530 2612.730       181.6012 79.30348 3.599692 145.2471 5.167840 -65.94360      6.297964 
1 1 1 -67 5  6  o 39.08986 6.339138 173.6169       49.35612 150.8247       54.96366 268.5306       112.1624 34.03423 6.911027 44.14550 10.62903 -10.11127      12.67828 
1 1 1 -67 5  7  o 42.20948 6.468386 251.9405       59.17616 272.9215       69.58910 197.1446       112.4610 46.69415 6.159941 37.72481 11.37608 8.969341       12.93677 
1 1 1 -67 5  8  o 83.63478 4.082432 909.5917       64.50676 934.3603       72.24042 812.1356       143.2959 87.40108 3.416341 79.86848 7.415768 7.532600       8.164864 
1 1 1 -67 5  9  o 22.60090 6.631950 -2.943954      48.58520 -27.58083      53.77761 106.4723       113.3313 14.97755 6.805582 30.22424 11.38486 -15.24669      13.26390 
1 1 1 -67 5  10 o 33.00068 6.467144 161.5637       52.94884 185.6892       59.25721 66.00833       117.9317 38.33654 6.388898 27.66482 11.24623 10.67172       12.93429 
1 1 1 -67 5  11 o 18.79232 6.087545 -20.44779      51.83389 -5.406808      57.38869 -87.05533      120.7674 16.91463 7.393785 20.67001 9.672889 -3.755383      12.17509 
1 1 1 -67 5  12 o 16.94407 5.643826 -50.85225      53.22645 -8.402637      57.45716 -307.6740      141.3264 16.65365 7.335661 17.23448 8.578997 -0.5808277     11.28765 
1 1 1 -67 5  13 o 26.54383 7.311429 73.90667       55.61185 69.88519       61.24115 92.81380       132.7894 23.77413 8.460192 29.31352 11.92699 -5.539398      14.62286 
1 1 1 -67 5  14 o 59.64302 3.976729 454.1971       57.32970 432.7173       81.08560 475.6672       81.06727 58.15442 5.763134 61.13162 5.481221 -2.977200      7.953458 
1 1 1 -67 5  15 o 50.46887 4.757463 337.3741       57.99377 318.4274       82.29218 356.0683       81.74176 48.91167 6.954146 52.02607 6.494124 -3.114403      9.514925 
1 1 1 -67 5  16 o 22.71719 6.614324 53.66217       58.66943 58.96546       82.86672 48.33208       83.07587 23.08386 9.410445 22.35052 9.297346 0.7333431      13.22865 
1 1 1 -67 5  17 o 60.46783 4.646809 500.7182       67.61977 436.9347       92.57933 573.6571       99.00092 56.07260 6.824346 64.86305 6.308695 -8.790455      9.293617 
1 1 1 -67 7  1  o 42.48780 6.339267 248.1368       53.42110 252.8497       60.20784 230.6960       115.8219 44.92882 5.538928 40.04679 11.40463 4.882034       12.67853 
1 1 1 -67 7  2  o 34.85501 6.656899 163.1073       49.70601 163.4523       55.42572 161.6895       112.3483 35.38886 6.719291 34.32115 11.49384 1.067711       13.31380 
1 1 1 -67 7  3  o 64.73870 4.703065 572.1365       58.65880 606.6181       66.82777 456.3950       122.4356 70.25387 3.931737 59.22353 8.544982 11.03034       9.406130 
1 1 1 -67 7  4  o 29.90875 6.372996 131.5423       50.42147 157.5496       56.20107 24.24747       114.1529 34.71370 6.934429 25.10380 10.69458 9.609896       12.74599 
1 1 1 -67 7  5  o 27.02146 6.994169 60.05993       48.15319 41.23547       53.00063 149.0779       115.2547 20.48480 7.769088 33.55811 11.63249 -13.07331      13.98834 
1 1 1 -67 7  6  o 61.15889 4.739849 503.1936       54.18803 524.2439       60.80886 422.0107       119.4182 65.35013 3.846079 56.96766 8.664431 8.382469       9.479698 
1 1 1 -67 7  7  o 22.76099 6.897136 13.08490       57.23137 4.397324       64.76517 44.04521       122.2630 18.70601 8.014341 26.81597 11.22730 -8.109964      13.79427 
1 1 1 -67 7  8  o 65.44682 4.604056 472.8126       58.71384 430.8435       64.74196 667.2219       139.3413 59.03833 4.532622 71.85532 8.015277 -12.81699      9.208112 
1 1 1 -67 7  9  o 50.54991 6.746349 402.1889       59.42559 433.8597       65.66013 258.7745       139.7233 59.19196 4.584973 41.90786 12.68980 17.28410       13.49270 
1 1 1 -67 7  10 o 81.63082 4.307129 839.4683       66.02691 838.0809       73.28600 845.4491       152.1617 82.56722 3.668689 80.69442 7.793983 1.872803       8.614259 
1 1 1 -67 7  11 o 23.91708 6.884744 52.40306       55.23225 66.95882       60.69222 -17.75134      133.2426 23.57632 8.418735 24.25783 10.89604 -0.6815128     13.76949 
1 1 1 -67 7  12 o 42.92341 6.985192 296.4695       58.95174 318.7015       64.63937 186.5556       143.7257 50.29884 5.311740 35.54798 12.92119 14.75086       13.97038 
1 1 1 -67 7  13 o 63.18430 5.031026 453.2414       62.99894 406.0114       69.80337 660.6782       146.2887 56.72102 5.086628 69.64758 8.681653 -12.92656      10.06205 
1 1 1 -67 7  14 o 32.47674 7.607295 145.4184       58.37018 138.3945       64.04099 179.8929       141.8783 31.20093 8.328195 33.75255 12.73283 -2.551620      15.21459 
1 1 1 -67 7  15 o 19.82494 6.368289 -0.6041695     58.71545 23.47602       64.42120 -118.7626      142.7024 19.22731 8.105098 20.42256 9.824856 -1.195253      12.73658 
1 1 1 -67 7  16 o 31.64550 7.842878 149.7669       60.54132 138.2975       65.65781 214.8721       156.4314 30.15817 8.586134 33.13282 13.12712 -2.974646      15.68576 
1 1 1 -67 9  2  o 26.69880 6.671215 93.68061       54.25900 119.6922       60.48619 -13.49197      122.7763 29.73473 8.160623 23.66287 10.55579 6.071863       13.34243 
1 1 1 -67 9  3  o 23.69908 6.198339 61.66647       52.19525 102.3402       57.70768 -121.2374      122.3737 27.67075 8.101673 19.72741 9.382991 7.943344       12.39668 
1 1 1 -67 9  4  o 52.91405 6.614415 461.3954       59.57265 510.1606       66.22919 254.7293       136.3417 64.26921 4.259358 41.55890 12.52437 22.71031       13.22883 
1 1 1 -67 9  5  o 46.28426 6.307443 361.9769       55.81788 419.1442       63.33064 162.9982       118.1526 58.19325 4.498202 34.37527 11.78565 23.81797       12.61489 
1 1 1 -67 9  6  o 34.87544 6.622451 185.9886       52.84752 206.4700       57.76693 80.86854       130.8704 40.51228 5.893731 29.23861 11.86134 11.27367       13.24490 
1 1 1 -67 9  7  o 33.54151 7.602826 121.1881       59.38531 90.86532       66.43435 241.7609       132.4746 26.53118 8.837903 40.55184 12.37349 -14.02066      15.20565 
1 1 1 -67 9  8  f 25.29951 6.978557 -21.46977      51.94540 -62.86590      56.61148 199.0482       130.6612 13.51690 6.415292 37.08212 12.39536 -23.56522      13.95711 
1 1 1 -67 9  9  o 22.56681 6.828556 27.71829       55.64488 35.39844       61.53956 -6.707912      130.2910 20.60533 8.211430 24.52829 10.91280 -3.922953      13.65711 
1 1 1 -67 9  10 o 66.50269 5.206017 587.1676       63.02090 594.8728       69.74443 552.8852       147.1137 69.29996 4.159817 63.70541 9.544967 5.594547       10.41203 
1 1 1 -67 9  11 o 74.36849 4.928348 709.5040       65.87535 705.4094       72.28605 729.5657       160.0042 75.47172 3.958840 73.26527 9.026739 2.206451       9.856695 
1 1 1 -67 9  12 o 21.99433 7.039112 -13.76485      56.56319 -27.00536      61.22032 63.46223       147.8523 15.87340 7.231387 28.11526 12.07905 -12.24185      14.07822 
1 1 1 -67 9  13 o 55.72255 6.026715 364.0428       59.73455 330.3627       64.88662 551.2195       152.9657 50.89967 5.269117 60.54543 10.84074 -9.645756      12.05343 
1 1 1 -67 9  14 o 27.45174 7.351280 102.6074       56.94613 106.1262       61.66342 82.21297       148.4518 27.13086 8.469668 27.77262 12.01790 -0.6417561     14.70256 
1 1 1 -67 9  15 o 26.44020 7.765556 68.86465       62.09070 47.68424       67.53667 184.5330       157.8265 21.08191 8.531863 31.79849 12.97778 -10.71657      15.53111 
1 1 1 -67 11 4  o 45.57326 6.724830 312.9186       57.85192 330.0420       64.30471 240.2142       132.5038 51.29587 5.181530 39.85065 12.41149 11.44522       13.44966 
1 1 1 -67 11 5  o 44.76682 6.405243 293.1171       55.58341 308.3848       62.67637 236.8828       120.2865 49.58007 5.225098 39.95358 11.69645 9.626484       12.81049 
1 1 1 -67 11 6  o 24.04664 8.280871 72.78421       58.36074 72.78421       58.36074 0.000000       0.000000 24.04664 8.280871 ?        ?        ?              ?        
1 1 1 -67 11 7  o 30.70258 7.620565 105.5116       55.98230 90.73013       61.28484 180.0119       137.5857 26.15861 8.477236 35.24656 12.66604 -9.087952      15.24113 
1 1 1 -67 11 8  o 31.11363 6.202325 155.5173       56.28162 198.5987       61.69222 -58.27484      137.4299 39.33848 6.482023 22.88878 10.57633 16.44970       12.40465 
1 1 1 -67 11 9  o 34.57851 7.399156 175.6815       58.49296 182.8677       63.56794 135.9905       149.3950 36.83666 7.389773 32.32037 12.82113 4.516289       14.79831 
1 1 1 -67 11 10 o 31.97897 7.836279 126.3386       57.67908 116.4797       62.24797 186.1987       153.3838 28.93389 8.398026 35.02405 13.23262 -6.090157      15.67256 
1 1 1 -67 11 11 o 52.60134 7.215278 369.0001       61.74007 356.4580       66.18575 453.0637       171.3497 53.00670 5.160971 52.19598 13.47610 0.8107224      14.43056 
1 1 1 -67 11 12 o 27.04353 7.514017 92.92014       60.53563 100.0530       65.15377 47.88816       163.7071 26.63979 8.746501 27.44727 12.22050 -0.8074818     15.02803 
1 1 1 -67 11 13 o 16.37741 5.578181 -67.04332      56.85679 -24.31340      61.43767 -321.9512      150.0584 15.75502 7.203296 16.99981 8.519211 -1.244788      11.15636 
1 1 1 -67 11 14 o 25.39104 7.047504 92.68537       58.91398 109.7003       63.03811 -24.73528      165.6001 27.02975 8.580786 23.75233 11.18210 3.277428       14.09501 
1 1 1 -67 13 7  o 38.46161 8.690088 190.8721       86.51122 119.6907       101.9240 374.3010       163.6165 29.49786 10.85682 47.42536 13.57203 -17.92750      17.38018 
1 1 1 -67 13 8  o 37.32359 7.098964 230.6797       57.07117 246.8932       60.76669 109.4111       166.1891 43.89400 5.722135 30.75318 12.99378 13.14083       14.19793 
1 1 1 -67 13 9  o 30.63604 7.927703 121.3998       58.79694 117.7126       62.57515 149.1969       171.8124 28.81667 8.436217 32.45541 13.42476 -3.638737      15.85541 
1 1 1 -67 13 10 o 40.42445 8.058682 206.9601       62.41628 182.0255       67.15580 365.1398       169.1446 35.94781 7.934085 44.90110 14.02925 -8.953297      16.11736 
1 1 1 -67 13 11 o 26.07986 7.660006 61.56248       59.45214 46.86000       64.30951 148.0071       155.9370 21.11194 8.400215 31.04778 12.81168 -9.935841      15.32001 
1 1 1 -67 13 12 o 42.25920 7.607754 298.5179       64.36513 302.6583       69.40059 273.0518       172.1163 47.80281 6.000776 36.71560 13.98222 11.08720       15.21551 
1 1 1 -67 13 13 o 22.07134 7.351341 -26.07243      59.18040 -48.21078      62.69113 155.1458       179.3636 14.46724 6.831923 29.67544 13.01897 -15.20820      14.70268 
1 1 1 -67 15 10 o 25.51497 7.781794 71.46896       89.65490 114.3367       103.4084 -58.29863      179.9176 27.41525 10.73150 23.61468 11.27210 3.800577       15.56359 
1 1 1 -67 15 11 o 25.22136 8.118728 19.92648       89.57050 -31.76681      101.6393 199.6431       189.5129 19.16678 8.937793 31.27595 13.55621 -12.10917      16.23746 
1 1 1 -66 0  1  o 11.22259 5.364149 -26.61164      60.41947 -26.61164      60.41947 -26.61164      60.41947 11.22259 7.586051 11.22259 7.586051 0.000000       0.000000 
1 1 1 -66 0  2  o 59.48082 3.492584 440.7169       69.95134 440.7169       69.95134 440.7169       69.95134 59.48082 4.939260 59.48082 4.939260 0.000000       0.000000 
1 1 1 -66 0  3  o 17.04592 6.890635 47.81918       63.33949 47.81918       63.33949 47.81918       63.33949 17.04592 9.744830 17.04592 9.744830 0.000000       0.000000 
1 1 1 -66 0  4  o 199.2077 3.112170 4841.090       211.8887 4841.090       211.8887 4841.090       211.8887 199.2077 4.401273 199.2077 4.401273 0.000000       0.000000 
1 1 1 -66 0  5  o 11.94944 5.556530 -8.568198      57.56128 -8.568198      57.56128 -8.568198      57.56128 11.94944 7.858120 11.94944 7.858120 0.000000       0.000000 
1 1 1 -66 0  6  f 137.0114 2.735818 2288.464       128.0198 2288.464       128.0198 2288.464       128.0198 137.0114 3.869031 137.0114 3.869031 0.000000       0.000000 
1 1 1 -66 0  7  o 103.3383 2.807706 1304.976       98.94004 1304.976       98.94004 1304.976       98.94004 103.3383 3.970696 103.3383 3.970696 0.000000       0.000000 
1 1 1 -66 0  8  o 20.93914 7.340825 81.18562       63.43908 81.18562       63.43908 81.18562       63.43908 20.93914 10.38149 20.93914 10.38149 0.000000       0.000000 
1 1 1 -66 0  9  o 123.4102 2.696326 1858.520       113.6059 1858.520       113.6059 1858.520       113.6059 123.4102 3.813181 123.4102 3.813181 0.000000       0.000000 
1 1 1 -66 0  10 o 53.34936 3.808998 358.9218       67.90234 358.9218       67.90234 358.9218       67.90234 53.34936 5.386736 53.34936 5.386736 0.000000       0.000000 
1 1 1 -66 0  11 o 8.619746 4.377059 -100.7288      61.90974 -100.7288      61.90974 -100.7288      61.90974 8.619746 6.190096 8.619746 6.190096 0.000000       0.000000 
1 1 1 -66 0  12 o 12.28043 5.790450 -17.25240      66.16924 -17.25240      66.16924 -17.25240      66.16924 12.28043 8.188932 12.28043 8.188932 0.000000       0.000000 
1 1 1 -66 0  13 o 24.32235 7.720227 109.4818       68.61378 109.4818       68.61378 109.4818       68.61378 24.32235 10.91805 24.32235 10.91805 0.000000       0.000000 
1 1 1 -66 0  14 o 15.11229 6.587846 26.89866       66.59538 26.89866       66.59538 26.89866       66.59538 15.11229 9.316622 15.11229 9.316622 0.000000       0.000000 
1 1 1 -66 0  15 o 17.47475 7.244469 51.83105       72.82457 51.83105       72.82457 51.83105       72.82457 17.47475 10.24523 17.47475 10.24523 0.000000       0.000000 
1 1 1 -66 0  16 o 28.47323 8.286752 150.7626       79.90292 150.7626       79.90292 150.7626       79.90292 28.47323 11.71924 28.47323 11.71924 0.000000       0.000000 
1 1 1 -66 0  17 o 16.29815 7.225474 34.69424       83.56737 34.69424       83.56737 34.69424       83.56737 16.29815 10.21836 16.29815 10.21836 0.000000       0.000000 
1 1 1 -66 0  18 o 14.23823 6.692474 -0.5061443     87.17355 -0.5061443     87.17355 -0.5061443     87.17355 14.23823 9.464588 14.23823 9.464588 0.000000       0.000000 
1 1 1 -66 2  1  o 50.06066 5.395707 343.0546       51.11005 360.5313       58.33348 285.3064       106.0370 54.13963 4.453488 45.98170 9.829601 8.157928       10.79141 
1 1 1 -66 2  2  o 82.75417 3.768017 926.5867       62.40878 1006.348       72.54416 699.4646       122.4157 90.81670 3.301676 74.69165 6.774271 16.12505       7.536035 
1 1 1 -66 2  3  o 100.9817 3.248791 1289.791       69.40561 1332.323       81.34579 1175.967       133.0741 104.5374 3.216333 97.42596 5.645685 7.111450       6.497581 
1 1 1 -66 2  4  o 86.85971 3.454183 949.9774       63.50121 974.5031       74.30059 883.5217       122.3059 89.36637 3.436496 84.35306 5.992998 5.013313       6.908366 
1 1 1 -66 2  5  o 151.9857 3.288494 2910.129       105.9868 2994.187       124.2300 2685.306       203.1698 156.7151 3.276523 147.2563 5.702733 9.458801       6.576988 
1 1 1 -66 2  6  o 113.8344 3.207041 1611.812       75.67262 1632.167       87.29394 1550.268       151.7910 115.7455 3.117292 111.9233 5.605617 3.822273       6.414083 
1 1 1 -66 2  7  o 19.97668 6.251928 -29.48970      61.98396 18.19155       84.46638 -85.12790      91.24237 22.18920 9.313329 17.76417 8.343161 4.425030       12.50386 
1 1 1 -66 2  8  o 17.52840 5.388713 -6.446580      42.81649 5.358970       60.15350 -18.56995      60.95783 18.29725 7.778373 16.75955 7.459881 1.537697       10.77743 
1 1 1 -66 2  9  o 20.57984 5.686168 34.08101       41.82552 11.96202       61.70235 52.88472       56.89064 18.98182 7.963199 22.17786 8.118958 -3.196041      11.37234 
1 1 1 -66 2  10 o 46.02928 4.304274 264.7789       47.92765 269.8560       68.35242 259.8684       67.22160 46.46491 6.080321 45.59365 6.093997 0.8712578      8.608548 
1 1 1 -66 2  11 o 29.97009 5.686047 117.9076       47.02985 41.10724       67.74426 189.3562       65.34132 21.94812 8.656704 37.99206 7.374687 -16.04394      11.37209 
1 1 1 -66 2  12 o 52.32404 4.113087 344.2832       51.83623 382.1320       73.55167 306.9329       73.06575 55.28777 5.498714 49.36032 6.118339 5.927448       8.226173 
1 1 1 -66 2  13 o 27.16078 6.332766 93.62225       49.35592 127.9836       72.10955 63.33599       67.69870 30.59057 9.083445 23.73098 8.826480 6.859587       12.66553 
1 1 1 -66 2  14 o 29.63737 5.963799 112.2743       49.87946 194.6567       73.00957 40.16562       68.30556 37.71499 8.232414 21.55975 8.631045 16.15524       11.92760 
1 1 1 -66 2  15 o 21.93217 6.130810 38.60959       51.56011 83.12652       69.85647 -14.66379      76.41861 25.34054 9.033771 18.52380 8.290858 6.816732       12.26162 
1 1 1 -66 2  16 o 33.85300 6.607194 168.5337       59.02296 103.1172       82.56138 236.9148       84.41151 27.18372 9.806576 40.52229 8.857265 -13.33856      13.21439 
1 1 1 -66 2  17 o 22.95154 6.678531 56.38675       59.78780 63.43040       84.21985 49.23063       84.88958 23.42575 9.511046 22.47733 9.378223 0.9484215      13.35706 
1 1 1 -66 2  18 o 23.01200 6.604227 51.76076       63.23075 -28.48912      89.88303 130.3843       88.96758 18.13056 8.437984 27.89343 10.16187 -9.762867      13.20845 
1 1 1 -66 4  1  o 25.27053 6.760260 38.10639       48.88623 12.46411       54.93133 135.7525       107.1937 18.08058 7.543921 32.46048 11.22024 -14.37990      13.52052 
1 1 1 -66 4  2  o 28.69875 6.768550 96.78549       47.60944 92.25566       53.39728 114.3486       105.1427 26.64236 7.791133 30.75515 11.07029 -4.112791      13.53710 
1 1 1 -66 4  3  o 78.75141 3.789289 752.0496       60.20024 739.6769       68.15678 795.9548       128.3912 77.78866 3.621516 79.71416 6.657288 -1.925507      7.578579 
1 1 1 -66 4  4  o 59.24591 4.558105 427.6576       54.50792 419.0659       61.70452 458.1797       116.3018 58.42651 4.365206 60.06531 8.003140 -1.638794      9.116210 
1 1 1 -66 4  5  o 54.73849 5.136151 410.3777       54.06529 438.1216       62.45537 327.4242       107.9950 59.75388 4.320176 49.72312 9.319672 10.03076       10.27230 
1 1 1 -66 4  6  o 28.46672 6.617105 84.24973       47.25088 62.43221       54.32372 152.0524       95.76569 23.07355 7.986843 33.85990 10.55247 -10.78635      13.23421 
1 1 1 -66 4  7  o 69.47646 4.314626 581.7485       67.57178 549.7198       80.95417 655.3242       122.6977 66.74966 5.012887 72.20326 7.023884 -5.453606      8.629251 
1 1 1 -66 4  8  o 29.96290 6.939905 99.39779       48.40887 87.67329       53.77005 149.5538       111.2129 26.07515 7.866834 33.85064 11.43512 -7.775486      13.87981 
1 1 1 -66 4  9  f 63.26957 5.423003 627.3159       58.78937 721.6511       67.64472 336.1095       118.8496 76.79114 3.640998 49.74799 10.21660 27.04314       10.84601 
1 1 1 -66 4  10 o 18.46008 5.645945 -7.429893      48.71995 38.21485       54.02840 -206.0678      112.7088 20.30581 7.809695 16.61435 8.155701 3.691458       11.29189 
1 1 1 -66 4  11 o 22.98827 6.706493 38.56078       50.57389 43.70389       55.87062 15.22903       118.9993 20.98955 7.972780 24.98700 10.78624 -3.997450      13.41299 
1 1 1 -66 4  12 o 69.13368 4.743584 582.5174       70.11919 554.1259       81.15289 666.1511       139.2839 66.70650 5.028443 71.56087 8.044943 -4.854362      9.487167 
1 1 1 -66 4  13 o 23.13867 6.027923 38.64077       50.59124 116.7688       73.35584 -32.22899      69.86535 29.30275 9.251533 16.97459 7.729979 12.32816       12.05585 
1 1 1 -66 4  14 o 21.55851 5.555897 13.66500       48.35223 -96.88208      69.58022 116.9027       67.24055 14.04050 6.781042 29.07651 8.802808 -15.03601      11.11179 
1 1 1 -66 4  15 o 26.40487 6.491254 94.22475       50.79667 89.85533       72.06894 98.53846       71.60796 25.97767 9.184782 26.83207 9.175255 -0.8543949     12.98251 
1 1 1 -66 4  16 f 28.00830 6.881800 111.3158       60.13881 156.8620       82.88947 60.69306       87.38689 32.18261 9.780431 23.83398 9.684000 8.348631       13.76360 
1 1 1 -66 4  17 o 37.78372 6.811743 224.0220       63.06438 263.2612       90.22832 186.5441       88.17997 41.52562 9.221144 34.04182 10.02845 7.483799       13.62349 
1 1 1 -66 6  1  o 29.94232 7.023921 74.07751       51.99591 38.59849       58.15976 215.3480       116.0546 20.75946 8.069618 39.12519 11.49883 -18.36573      14.04784 
1 1 1 -66 6  2  o 55.85923 5.709002 447.8837       54.99818 474.8584       61.35980 337.6562       124.0368 62.17910 4.078845 49.53935 10.66461 12.63976       11.41800 
1 1 1 -66 6  3  o 55.39920 5.494049 418.9263       53.89326 433.9305       60.09572 357.2873       121.8049 59.43868 4.178997 51.35971 10.16239 8.078972       10.98810 
1 1 1 -66 6  4  o 24.94733 6.725546 42.73594       49.99356 19.57319       57.21599 117.5015       102.7953 19.00908 7.792375 30.88559 10.96407 -11.87652      13.45109 
1 1 1 -66 6  5  o 31.16190 6.554816 134.7545       49.70120 148.6306       55.92942 82.65318       108.3753 33.77193 7.071836 28.55187 11.03864 5.220053       13.10963 
1 1 1 -66 6  6  o 25.16031 6.624352 15.47261       48.38927 -21.00010      54.06691 162.2844       108.4746 15.49979 6.952967 34.82082 11.27761 -19.32104      13.24870 
1 1 1 -66 6  7  o 64.14536 4.730387 523.1659       66.68197 532.5019       79.75826 501.4872       121.5378 65.63148 5.022977 62.65922 8.017227 2.972267       9.460773 
1 1 1 -66 6  8  o 31.68974 6.999725 124.9675       50.17393 122.3858       55.31860 136.9423       119.1407 30.45349 7.546515 32.92600 11.79130 -2.472509      13.99945 
1 1 1 -66 6  9  o 28.55657 6.988765 101.5623       51.46374 107.9063       56.72036 72.01665       122.4067 28.55443 7.928586 28.55871 11.51125 -0.4274368E-02 13.97753 
1 1 1 -66 6  10 o 26.23899 7.080646 69.46983       51.66448 67.38183       56.96808 79.14337       122.6192 23.61546 8.178668 28.86253 11.56078 -5.247070      14.16129 
1 1 1 -66 6  11 o 26.06998 7.219552 23.58310       52.60675 -4.592301      57.43774 170.2558       131.0500 17.00127 7.415217 35.13869 12.38960 -18.13742      14.43910 
1 1 1 -66 6  12 o 51.65916 5.898837 263.5997       59.15030 213.6306       64.48840 528.4949       148.4799 40.93796 6.511080 62.38037 9.838238 -21.44241      11.79767 
1 1 1 -66 6  13 o 25.08044 7.342654 15.18938       57.04681 -11.79543      62.55062 148.6020       139.0818 17.09348 7.585172 33.06741 12.57471 -15.97393      14.68531 
1 1 1 -66 6  14 f 47.15835 6.610696 370.7721       57.71822 408.4800       64.38841 216.5378       130.2213 57.08640 4.662005 37.23029 12.37218 19.85611       13.22139 
1 1 1 -66 6  15 o 42.92716 7.080302 215.3885       57.34845 181.7009       62.55166 392.9804       143.6199 36.34902 7.365172 49.50531 12.09450 -13.15629      14.16060 
1 1 1 -66 6  16 o 24.95637 6.555776 73.64243       57.86679 139.1813       81.36584 6.566580       82.31440 30.12118 9.768517 19.79156 8.745790 10.32962       13.11155 
1 1 1 -66 6  17 o 25.76680 6.560513 74.23455       61.85437 188.9245       89.91688 -28.79219      85.22237 33.66404 10.17677 17.86957 8.282192 15.79447       13.12103 
1 1 1 -66 8  1  f 35.73246 6.600235 181.6178       52.09827 192.8244       58.16027 136.1095       117.2022 39.11136 6.146404 32.35355 11.68221 6.757805       13.20047 
1 1 1 -66 8  2  o 22.76957 6.429271 -54.46992      49.12643 -103.4069      54.55166 155.5027       112.9980 11.62496 5.699914 33.91419 11.52619 -22.28924      12.85854 
1 1 1 -66 8  3  o 18.28434 5.849390 -17.34135      49.53762 6.013285       55.36602 -111.0767      110.9197 17.56557 7.464761 19.00312 9.007706 -1.437553      11.69878 
1 1 1 -66 8  4  o 40.59782 6.678481 244.8601       53.02918 260.5750       58.22117 168.3522       128.4630 45.80300 5.253935 35.39264 12.28025 10.41036       13.35696 
1 1 1 -66 8  5  o 19.80574 6.124887 6.248250       48.91959 25.56264       54.01164 -81.93932      115.4119 19.07834 7.661790 20.53314 9.557926 -1.454796      12.24977 
1 1 1 -66 8  6  o 45.57797 6.164349 304.3592       51.38638 323.9370       57.31577 224.1523       116.0106 51.22196 4.625041 39.93399 11.42829 11.28797       12.32870 
1 1 1 -66 8  7  o 35.27193 7.142102 177.0358       60.28466 191.0873       68.87206 130.9935       124.6697 38.03317 7.747855 32.51068 12.00039 5.522484       14.28420 
1 1 1 -66 8  8  o 34.45567 7.354309 122.6543       52.41318 99.30363       57.08446 248.0666       132.2934 27.42570 8.065770 41.48565 12.29987 -14.05995      14.70862 
1 1 1 -66 8  9  o 72.81461 4.513576 690.6988       61.89446 704.7430       69.16861 634.2653       138.6531 75.74010 3.774686 69.88911 8.200074 5.850990       9.027152 
1 1 1 -66 8  10 o 31.64869 6.755655 150.6090       54.35651 173.0947       59.57571 38.88162       132.7992 36.25296 7.046230 27.04441 11.52849 9.208542       13.51131 
1 1 1 -66 8  11 o 29.04139 7.241670 109.6001       54.96578 117.7454       59.79284 65.17549       139.6393 29.47087 8.124246 28.61192 11.99015 0.8589497      14.48334 
1 1 1 -66 8  12 o 20.87386 6.759898 -33.19344      55.92041 -46.98433      61.17256 36.93040       137.9409 14.91785 6.948895 26.82987 11.59732 -11.91203      13.51980 
1 1 1 -66 8  13 o 36.90924 7.025876 212.2109       57.74863 227.2083       62.97974 133.0161       144.7242 42.04576 6.191222 31.77272 12.61430 10.27303       14.05175 
1 1 1 -66 8  14 o 31.05221 7.340241 141.7327       58.34308 148.5095       64.11584 109.1017       140.6915 32.44627 8.172110 29.65816 12.19562 2.788111       14.68048 
1 1 1 -66 8  15 o 19.22307 6.481205 -43.87594      60.87698 -41.71684      66.48145 -55.08626      151.4859 15.57567 7.251585 22.87047 10.74424 -7.294798      12.96241 
1 1 1 -66 8  16 o 23.54321 6.670037 69.57617       61.23103 106.1258       66.03766 -154.4319      163.4864 26.57321 8.809549 20.51320 10.01746 6.060007       13.34007 
1 1 1 -66 10 2  f 77.55220 4.325910 767.0166       64.63213 771.6890       72.46445 748.8400       142.9272 79.18160 3.782670 75.92280 7.781091 3.258804       8.651819 
1 1 1 -66 10 3  o 49.80053 6.173046 312.9016       55.56858 302.6620       61.13537 361.5705       133.2836 49.26801 5.128911 50.33304 11.23033 -1.065029      12.34609 
1 1 1 -66 10 4  o 64.41562 5.532284 593.4542       61.24432 626.5995       68.28978 457.2278       138.4442 71.33826 3.956680 57.49298 10.33293 13.84528       11.06457 
1 1 1 -66 10 5  f 54.30233 5.645073 391.8557       56.05456 395.7639       62.66365 376.2047       125.3999 56.53369 4.581482 52.07098 10.31879 4.462715       11.29015 
1 1 1 -66 10 6  o 21.02300 6.365790 21.45400       50.87245 43.86521       55.16496 -105.9726      131.5409 20.88078 7.924479 21.16522 9.964725 -0.2844315     12.73158 
1 1 1 -66 10 7  o 55.96065 5.360413 368.3424       64.13773 331.4065       73.55309 485.5443       131.0218 51.30799 5.925344 60.61330 8.934562 -9.305302      10.72083 
1 1 1 -66 10 8  o 74.61279 5.066962 789.9327       65.10025 831.4191       71.89571 601.0708       153.3989 82.25949 3.612557 66.96609 9.468150 15.29340       10.13392 
1 1 1 -66 10 9  o 68.36438 4.995881 595.8848       63.91138 592.9147       70.87827 608.8043       147.8234 69.22421 4.232070 67.50456 9.051236 1.719643       9.991761 
1 1 1 -66 10 10 o 56.50283 6.313520 414.1005       62.35875 404.6672       68.33868 461.0351       152.4341 56.88436 4.965597 56.12130 11.60969 0.7630615      12.62704 
1 1 1 -66 10 11 o 31.54543 8.003351 114.2110       58.63258 103.2729       62.95023 185.8418       161.0931 27.52888 8.551642 35.56199 13.53085 -8.033104      16.00670 
1 1 1 -66 10 12 o 45.74119 7.403569 318.2094       62.23518 325.1837       67.51311 278.7626       160.5614 50.56559 5.518623 40.91678 13.74031 9.648815       14.80714 
1 1 1 -66 10 13 o 25.71828 7.204059 78.44175       56.39978 86.60739       60.97641 30.08923       148.3804 25.21294 8.467531 26.22362 11.65739 -1.010677      14.40812 
1 1 1 -66 10 14 o 39.41202 7.749554 173.9288       59.84816 132.6797       64.86900 409.8751       155.1445 30.15927 8.516328 48.66478 12.94969 -18.50551      15.49911 
1 1 1 -66 10 15 o 21.79889 7.208569 -33.09045      59.45738 -56.46380      63.60654 128.7329       167.3640 14.33920 6.803977 29.25858 12.71062 -14.91938      14.41714 
1 1 1 -66 12 4  o 51.41310 6.932065 449.2711       62.31895 495.2189       68.88086 241.9988       146.2975 63.10681 4.511490 39.71939 13.10956 23.38742       13.86413 
1 1 1 -66 12 5  o 27.82796 5.654870 120.9566       52.96020 179.7030       57.56089 -203.0934      135.1895 36.96297 6.682597 18.69296 9.124313 18.27001       11.30974 
1 1 1 -66 12 6  f 22.73405 6.677809 41.46015       55.01797 67.96938       58.88433 -140.7496      154.3785 23.54030 8.304461 21.92780 10.45985 1.612492       13.35562 
1 1 1 -66 12 7  o 19.90170 6.680926 -64.05229      61.55098 -71.16870      67.46559 -28.72100      150.3251 14.76499 7.006399 25.03841 11.37759 -10.27342      13.36185 
1 1 1 -66 12 8  o 58.98672 6.633477 502.0552       61.56056 512.6998       66.67686 440.5711       160.2479 64.24725 4.289615 53.72620 12.55433 10.52105       13.26695 
1 1 1 -66 12 9  o 33.46877 7.056237 180.2017       59.37774 203.5529       64.00404 35.96669       159.0701 39.08541 7.026796 27.85214 12.23871 11.23327       14.11247 
1 1 1 -66 12 10 o 28.41656 7.934921 77.59648       58.26845 65.89508       62.32380 158.8340       164.2152 23.27686 8.501368 33.55627 13.40069 -10.27941      15.86984 
1 1 1 -66 12 11 o 53.63991 7.404462 411.1285       64.35980 407.1234       69.16199 437.0018       175.7870 56.69646 5.042074 50.58335 13.92414 6.113113       14.80892 
1 1 1 -66 12 12 o 38.17798 7.423658 234.0467       63.36456 244.1987       68.92018 178.5842       161.0910 43.00186 6.624558 33.35410 13.28751 9.647755       14.84732 
1 1 1 -66 12 13 o 53.42948 7.237823 456.4518       64.89993 467.5711       70.72268 397.1446       163.3325 60.48850 4.832631 46.37046 13.64515 14.11805       14.47565 
1 1 1 -66 12 14 o 35.49413 7.887852 193.3875       60.33747 183.3065       64.62620 261.8680       168.4379 35.52483 7.738256 35.46344 13.74744 0.6138992E-01  15.77570 
1 1 1 -66 14 7  o 24.65706 7.799511 -28.12938      82.46725 -77.31113      94.93140 123.1410       166.4887 17.80979 8.409375 31.50433 13.13819 -13.69454      15.59902 
1 1 1 -66 14 8  o 33.63763 8.213759 131.7734       56.11094 118.4360       59.12999 252.4688       177.8758 29.05727 8.104877 38.21799 14.28896 -9.160721      16.42752 
1 1 1 -66 14 9  o 27.56207 8.028016 40.28442       58.11890 16.11409       61.71931 229.5063       172.6893 18.61139 7.894091 36.51274 13.98140 -17.90135      16.05603 
1 1 1 -66 14 10 o 30.40863 7.198160 148.4407       60.35603 167.6356       64.64832 18.12017       168.4501 34.41098 7.928383 26.40628 12.01644 8.004698       14.39632 
1 1 1 -66 14 11 o 23.96875 7.610255 8.676582       59.74885 -10.00860      63.63565 147.7692       173.6216 16.85683 7.553743 31.08066 13.21381 -14.22384      15.22051 
1 1 1 -66 14 12 o 29.14480 8.220082 106.6023       63.30938 92.49437       67.35966 213.4444       185.3698 25.21916 8.883595 33.07044 13.83332 -7.851280      16.44016 
1 1 1 -66 14 13 o 23.81564 6.971049 75.26498       61.50145 96.84689       65.32365 -93.13504      182.4722 25.25549 8.757301 22.37578 10.84858 2.879711       13.94210 
1 1 1 -66 16 11 o 24.42933 7.977200 17.57462       89.67370 -23.95003      101.4293 166.2106       191.8988 19.31376 8.980282 29.54490 13.18702 -10.23114      15.95440 
1 1 1 -65 1  1  o 44.08254 4.236994 242.5533       44.95438 220.8405       64.69791 262.8216       62.50879 42.09415 6.352814 46.07093 5.608049 -3.976776      8.473988 
1 1 1 -65 1  2  o 59.09919 3.458825 430.5527       49.31596 414.5419       71.62951 444.9815       67.99865 58.00889 5.103817 60.18948 4.669575 -2.180588      6.917650 
1 1 1 -65 1  3  o 81.58296 2.878035 817.6349       56.53982 740.5793       80.93690 891.0771       79.01643 77.75970 4.302191 85.40621 3.824069 -7.646507      5.756071 
1 1 1 -65 1  4  o 87.35753 2.847021 930.8409       60.05350 965.6797       88.30010 900.8578       81.91573 88.85615 4.107442 85.85890 3.943480 2.997246       5.694043 
1 1 1 -65 1  5  o 29.37959 5.653877 110.5883       44.55779 51.24468       63.55570 167.9518       62.48638 22.74630 8.533974 36.01287 7.418666 -13.26656      11.30775 
1 1 1 -65 1  6  o 109.7066 2.701534 1468.565       71.66307 1506.775       103.5136 1433.396       99.31076 111.0671 3.852207 108.3460 3.788620 2.721123       5.403068 
1 1 1 -65 1  7  o 82.43001 3.699018 855.4001       69.45581 779.1791       117.2915 896.5610       86.19299 79.26667 6.116086 85.59334 4.162264 -6.326668      7.398036 
1 1 1 -65 1  8  o 114.4982 2.705847 1601.959       74.94936 1587.042       105.1684 1617.353       106.8402 113.9604 3.814426 115.0360 3.838826 -1.075653      5.411694 
1 1 1 -65 1  9  o 35.07507 5.307508 160.1542       43.70875 179.4716       62.96194 142.1846       60.72571 37.21787 7.253050 32.93227 7.750601 4.285599       10.61502 
1 1 1 -65 1  10 o 40.54333 4.726009 209.3277       45.05360 235.2233       63.97489 183.8480       63.45906 43.45299 6.085378 37.63367 7.232484 5.819317       9.452018 
1 1 1 -65 1  11 o 24.69380 6.118712 69.97502       45.99210 94.82717       65.93256 46.42076       64.18783 27.22988 8.789522 22.15773 8.514625 5.072155       12.23742 
1 1 1 -65 1  12 o 42.69045 4.812445 234.1510       48.22311 266.1613       68.56363 202.8150       67.83772 46.04586 6.154616 39.33504 7.399946 6.710815       9.624889 
1 1 1 -65 1  13 o 59.67939 3.827526 452.6474       53.77338 337.4924       76.25858 566.5336       75.83728 51.74267 6.091687 67.61612 4.635859 -15.87345      7.655053 
1 1 1 -65 1  14 o 20.82777 5.651396 15.86627       46.35851 93.11634       66.53925 -57.00148      64.62434 26.65033 8.843317 15.00522 7.039094 11.64511       11.30279 
1 1 1 -65 1  15 o 33.26538 5.473144 151.8642       49.55438 46.69766       70.88873 252.3674       69.29926 22.25212 8.830301 44.27863 6.468925 -22.02651      10.94629 
1 1 1 -65 1  16 o 25.19688 6.366699 71.87592       53.10518 134.7652       77.16411 15.28697       73.19695 30.52267 9.465765 19.87108 8.516966 10.65159       12.73340 
1 1 1 -65 1  17 o 27.18576 6.940825 105.8059       58.98708 125.2196       83.50926 86.47473       83.33169 28.89586 9.908228 25.47566 9.722509 3.420198       13.88165 
1 1 1 -65 1  18 o 21.79702 6.469408 36.37066       60.17500 91.70963       86.66398 -15.14705      83.61830 25.20229 9.835592 18.39175 8.406787 6.810543       12.93882 
1 1 1 -65 3  1  o 103.8107 3.283546 1341.177       70.53130 1356.497       81.27916 1294.468       141.9219 105.4789 3.185013 102.1424 5.743030 3.336563       6.567092 
1 1 1 -65 3  2  o 18.07775 5.377173 -10.88270      46.24598 45.92104       53.88708 -169.6609      90.09313 21.22998 7.879045 14.92552 7.319606 6.304465       10.75435 
1 1 1 -65 3  3  f 15.23745 5.168010 -85.90762      45.26803 -98.17323      52.61750 -50.96966      88.80439 11.54918 5.649067 18.92572 8.655711 -7.376544      10.33602 
1 1 1 -65 3  4  o 51.77183 4.304605 292.4189       48.32369 249.0146       55.49513 428.5544       98.28198 44.97435 5.100205 58.56931 6.935880 -13.59495      8.609211 
1 1 1 -65 3  5  o 59.70531 4.474296 479.1809       52.00645 509.6862       59.43635 379.5360       107.4217 64.59643 3.803131 54.81419 8.100216 9.782242       8.948592 
1 1 1 -65 3  6  o 59.83100 4.738459 504.5837       54.04426 554.9648       62.09934 347.2933       109.7246 67.40118 3.808178 52.26082 8.678120 15.14036       9.476918 
1 1 1 -65 3  7  o 108.1947 3.388226 1524.675       76.80315 1627.467       90.49485 1259.964       145.2207 115.5691 3.236533 100.8203 5.953583 14.74877       6.776451 
1 1 1 -65 3  8  o 38.18454 6.269666 187.1308       49.61560 185.8810       56.02898 191.6716       106.7982 38.69895 5.984270 37.67013 11.01923 1.028820       12.53933 
1 1 1 -65 3  9  o 87.95765 3.533859 973.8099       63.64491 992.5464       73.16325 915.5265       129.0387 90.19088 3.352957 85.72442 6.221760 4.466461       7.067717 
1 1 1 -65 3  10 o 25.91290 6.373195 83.05862       45.44391 95.33148       50.77608 33.65854       101.8709 27.01906 7.501409 24.80673 10.30531 2.212322       12.74639 
1 1 1 -65 3  11 o 92.60749 2.909673 1052.382       64.97510 939.6301       90.19244 1174.034       93.68434 87.40377 4.265182 97.81121 3.958914 -10.40744      5.819345 
1 1 1 -65 3  12 o 29.05305 6.186200 111.1214       47.75962 137.6078       68.36781 85.87674       66.74601 31.95618 8.637113 26.14992 8.858699 5.806259       12.37240 
1 1 1 -65 3  13 o 44.54539 4.676444 253.0912       50.22385 269.3928       69.96770 235.7635       72.13643 46.14024 6.267805 42.95055 6.941984 3.189693       9.352888 
1 1 1 -65 3  14 f 19.81596 5.835557 19.55546       46.62663 5.181374       65.16691 34.63247       66.74129 18.60909 8.007631 21.02282 8.490745 -2.413727      11.67111 
1 1 1 -65 3  15 o 24.75889 6.143684 65.45983       49.55167 10.40131       67.39308 130.2533       73.10863 19.08997 8.176987 30.42780 9.171494 -11.33784      12.28737 
1 1 1 -65 3  16 o 19.22852 5.745224 -18.17558      52.36577 -106.1067      73.49817 72.47855       74.62752 14.12095 6.855237 24.33609 9.221504 -10.21515      11.49045 
1 1 1 -65 3  17 o 22.02867 6.261819 32.86752       56.26982 -38.17027      79.54739 104.0131       79.60772 17.26505 8.001895 26.79229 9.633857 -9.527233      12.52364 
1 1 1 -65 3  18 o 26.38602 6.870942 99.10054       61.05913 42.18703       83.21709 165.4736       89.86713 21.42376 9.129107 31.34829 10.27126 -9.924528      13.74188 
1 1 1 -65 5  1  o 75.41989 3.969863 679.7742       58.59457 661.7498       65.44099 752.6472       131.5837 73.54706 3.677751 77.29272 7.036575 -3.745659      7.939726 
1 1 1 -65 5  2  o 41.46949 6.337709 260.0989       53.04118 288.4507       59.87263 156.6924       114.3435 48.33611 5.119815 34.60287 11.59542 13.73324       12.67542 
1 1 1 -65 5  3  o 47.40240 5.708805 286.3702       51.03963 284.1646       57.14930 295.0625       113.4536 48.03285 4.917793 46.77195 10.30423 1.260899       11.41761 
1 1 1 -65 5  4  o 45.84534 5.810279 268.1942       51.32269 265.9721       57.77997 276.5021       111.7234 46.44345 5.142219 45.24723 10.42089 1.196217       11.62056 
1 1 1 -65 5  5  o 87.26765 3.566294 939.2794       62.11882 940.1713       70.31664 936.1095       132.5653 87.81149 3.309821 86.72382 6.318140 1.087669       7.132588 
1 1 1 -65 5  6  o 16.28465 5.386533 -41.92803      44.95591 -23.81714      50.40024 -112.4331      99.44267 14.74781 6.655693 17.82149 8.471169 -3.073682      10.77307 
1 1 1 -65 5  7  o 37.76079 6.532542 179.7060       51.50768 172.1311       58.26894 206.7817       110.1642 36.54888 6.841071 38.97270 11.13087 -2.423817      13.06508 
1 1 1 -65 5  8  f 80.17489 3.998454 785.9158       61.08461 779.0084       67.90131 815.2291       139.8787 79.86374 3.514198 80.48604 7.183380 -0.6222992     7.996908 
1 1 1 -65 5  9  o 32.23973 6.685492 139.3777       48.06453 145.4101       52.82893 110.3867       115.8139 33.49385 6.752514 30.98562 11.54066 2.508230       13.37098 
1 1 1 -65 5  10 o 79.77826 4.093170 888.1785       63.08067 973.6398       72.69676 627.7216       126.9107 89.26061 3.366300 70.29591 7.462183 18.96470       8.186339 
1 1 1 -65 5  11 o 52.60619 5.690976 362.5974       55.54989 364.1346       62.23563 356.5735       123.1974 54.26370 4.740535 50.94868 10.34776 3.315018       11.38195 
1 1 1 -65 5  12 o 23.36201 7.013616 17.15948       52.78320 5.985150       57.74060 73.97977       130.2034 17.83745 7.602716 28.88657 11.78821 -11.04912      14.02723 
1 1 1 -65 5  13 o 44.29516 6.752280 304.1718       57.03182 326.4388       63.13827 205.4729       132.9283 51.11808 5.105236 37.47224 12.50239 13.64584       13.50456 
1 1 1 -65 5  14 o 52.37276 4.199195 349.0022       53.07783 320.5035       74.72932 378.0162       75.40198 50.11519 6.163384 54.63033 5.704881 -4.515141      8.398391 
1 1 1 -65 5  15 o 59.00278 3.845114 443.4656       54.72208 409.6117       77.92557 476.4024       76.86280 56.64294 5.686328 61.36261 5.177381 -4.719669      7.690227 
1 1 1 -65 5  16 f 30.96409 6.544271 141.2283       55.19852 186.1488       76.70021 92.96826       79.50004 35.75211 8.901640 26.17607 9.595349 9.576042       13.08854 
1 1 1 -65 5  17 o 23.64602 6.666745 57.05800       59.23124 116.6704       89.52260 10.64372       78.99326 27.71841 10.17898 19.57364 8.612216 8.144770       13.33349 
1 1 1 -65 7  1  o 61.62460 4.499560 438.5874       54.64789 412.9289       60.80719 546.3415       124.6110 57.91746 4.339534 65.33175 7.883692 -7.414288      8.999120 
1 1 1 -65 7  2  o 40.54284 6.338638 237.3986       49.40429 251.0727       54.63638 176.0857       115.6932 45.06395 5.011298 36.02173 11.64475 9.042225       12.67728 
1 1 1 -65 7  3  o 39.40709 5.628701 294.3520       51.98964 374.1148       58.45020 -7.808447      113.7640 55.17014 4.379047 23.64405 10.37078 31.52608       11.25740 
1 1 1 -65 7  4  o 17.61907 5.711370 -27.51567      47.14718 -15.17684      53.24564 -72.31410      101.4562 15.76831 6.997654 19.46983 9.028392 -3.701512      11.42274 
1 1 1 -65 7  5  o 37.65650 6.472365 185.8222       48.29425 187.1410       53.11921 179.5360       115.9719 38.83445 5.653692 36.47855 11.64482 2.355900       12.94473 
1 1 1 -65 7  6  o 54.62838 5.528886 440.3813       53.20434 481.9786       60.28603 293.8727       113.1399 62.72016 3.972896 46.53660 10.31942 16.18356       11.05777 
1 1 1 -65 7  7  o 65.82644 4.782812 571.0021       58.84714 588.8064       65.79648 499.8215       131.5592 69.32313 3.923035 62.32975 8.724160 6.993382       9.565624 
1 1 1 -65 7  8  o 28.61898 7.060391 95.95960       50.32356 96.61782       55.21483 92.73052       122.2956 27.19813 7.913747 30.03983 11.69483 -2.841707      14.12078 
1 1 1 -65 7  9  o 48.78633 6.101834 297.7410       54.63153 289.0288       60.34841 337.2992       128.5934 48.28599 5.165857 49.28668 11.05638 -1.000694      12.20367 
1 1 1 -65 7  10 o 24.59105 6.586052 67.66012       50.27086 87.95675       54.79593 -40.22606      126.3337 25.99932 7.962471 23.18278 10.49302 2.816540       13.17210 
1 1 1 -65 7  11 o 49.65724 6.817500 400.5984       59.10772 436.3114       65.08372 232.4807       141.2101 59.38812 4.529711 39.92636 12.86060 19.46177       13.63500 
1 1 1 -65 7  12 o 86.74345 4.534503 1006.380       71.12868 1036.424       78.84727 875.0745       164.8358 91.85468 3.547996 81.63224 8.346173 10.22243       9.069007 
1 1 1 -65 7  13 o 28.36327 7.288786 40.44769       57.47589 -5.279794      64.05460 229.3873       130.2037 17.73770 7.780958 38.98884 12.32730 -21.25114      14.57757 
1 1 1 -65 7  14 o 37.89946 6.570184 245.1786       57.93552 281.8345       64.24423 85.55621       134.0630 47.07523 5.640783 28.72369 11.86806 18.35154       13.14037 
1 1 1 -65 7  15 o 22.98709 7.157387 22.28438       56.52573 17.12607       61.01051 53.55146       150.2086 18.64302 7.874754 27.33116 11.95412 -8.688139      14.31477 
1 1 1 -65 7  16 o 19.52607 6.388237 -8.430550      58.24740 15.51093       62.37240 -171.6835      162.8724 18.41841 7.877308 20.63373 10.05914 -2.215321      12.77647 
1 1 1 -65 7  17 o 35.08262 6.936319 197.4398       62.34781 249.3425       91.14741 151.7993       85.47220 39.70225 9.595622 30.46299 10.01869 9.239254       13.87264 
1 1 1 -65 9  1  o 23.35388 6.783699 11.89300       50.71553 -11.05763      56.46973 107.6026       115.3178 16.43924 7.255164 30.26853 11.46459 -13.82929      13.56740 
1 1 1 -65 9  2  o 45.65647 5.792862 235.8952       52.98305 206.0248       59.43113 351.5764       116.9567 40.51972 6.062409 50.79322 9.873004 -10.27350      11.58572 
1 1 1 -65 9  3  f 20.78800 6.502771 -34.62959      48.74999 -55.37132      53.40094 69.12552       119.4349 13.40643 6.323152 28.16957 11.36494 -14.76315      13.00554 
1 1 1 -65 9  4  o 36.85442 6.555624 212.3167       53.45111 238.4631       58.80724 88.07852       128.1895 43.76616 5.553797 29.94267 11.87687 13.82349       13.11125 
1 1 1 -65 9  5  o 58.66645 6.055305 574.4182       58.64834 662.7816       66.61765 269.9584       123.6568 73.53940 3.744268 43.79350 11.51726 29.74590       12.11061 
1 1 1 -65 9  6  o 90.42581 3.960822 1068.279       67.95243 1103.004       76.30209 935.1576       149.3972 94.99651 3.319911 85.85512 7.192401 9.141388       7.921644 
1 1 1 -65 9  7  o 36.06114 6.945075 168.0258       53.80602 162.5107       60.31236 189.5300       119.0943 35.16884 7.326199 36.95345 11.80098 -1.784607      13.89015 
1 1 1 -65 9  8  o 32.02758 7.338904 115.7183       51.74120 103.7961       56.45165 178.3462       129.3846 27.99976 7.957931 36.05540 12.33326 -8.055641      14.67781 
1 1 1 -65 9  9  o 22.29720 6.858405 6.302118       52.67189 -1.393577      57.67667 44.96133       129.2715 17.29925 7.488371 27.29515 11.49240 -9.995901      13.71681 
1 1 1 -65 9  10 o 46.61177 6.412226 252.9714       55.91464 230.1153       61.38630 364.3070       135.4836 42.75347 5.934687 50.47007 11.36864 -7.716602      12.82445 
1 1 1 -65 9  11 o 30.28622 7.516776 107.4378       54.97887 100.2575       60.01517 144.9137       137.1083 27.36778 8.323333 33.20467 12.51918 -5.836887      15.03355 
1 1 1 -65 9  12 o 24.61050 7.341839 42.18237       57.13006 40.88266       61.82385 49.77989       149.4753 21.03857 8.278747 28.18243 12.12736 -7.143866      14.68368 
1 1 1 -65 9  13 o 68.21092 5.349147 624.7350       65.23775 631.3575       71.88510 593.8132       155.3311 71.25565 4.169820 65.16620 9.852214 6.089447       10.69829 
1 1 1 -65 9  14 o 52.57641 6.942792 447.5680       60.89002 472.1855       66.59486 322.0702       150.3613 61.32703 4.488347 43.82578 13.14017 17.50125       13.88558 
1 1 1 -65 9  15 o 31.29920 7.333673 154.6488       59.29661 165.3239       64.05206 90.66032       156.8194 34.08179 7.918963 28.51660 12.34589 5.565197       14.66735 
1 1 1 -65 9  16 o 38.72062 7.653194 253.8352       65.30445 257.1176       70.30562 233.1945       176.2995 43.48172 6.683146 33.95952 13.77030 9.522202       15.30639 
1 1 1 -65 11 2  o 32.84630 7.346228 133.9993       53.48381 126.7665       58.51299 170.7317       131.8631 30.67914 7.850749 35.01347 12.41910 -4.334326      14.69246 
1 1 1 -65 11 3  o 57.48791 5.870357 449.3576       59.10123 457.6430       65.46500 412.8495       137.4195 60.81376 4.449436 54.16206 10.86494 6.651691       11.74071 
1 1 1 -65 11 4  o 29.71884 6.225888 135.4079       53.34703 175.5969       59.32592 -34.37240      121.9368 36.59065 6.955752 22.84702 10.32784 13.74363       12.45178 
1 1 1 -65 11 5  o 21.66609 6.188214 38.15601       48.72460 65.85140       53.19830 -106.0440      121.3883 23.15981 7.908412 20.17237 9.520138 2.987434       12.37643 
1 1 1 -65 11 6  o 34.02335 5.205176 222.4080       53.74463 301.3015       58.34509 -219.5122      138.0879 49.24583 4.897027 18.80087 9.186651 30.44496       10.41035 
1 1 1 -65 11 7  f 28.05080 6.996441 103.5499       55.09224 121.3689       60.15839 10.92207       137.1595 30.02867 8.096034 26.07292 11.41293 3.955748       13.99288 
1 1 1 -65 11 8  o 44.52711 6.846953 336.3645       56.86746 369.0009       61.90659 160.0238       143.9005 54.51308 4.693900 34.54114 12.86431 19.97194       13.69391 
1 1 1 -65 11 9  o 26.21561 7.465448 56.87012       55.12916 49.81755       59.65604 98.12016       144.2757 21.78456 8.247167 30.64666 12.44652 -8.862099      14.93090 
1 1 1 -65 11 10 o 30.00098 6.754887 137.9384       57.75470 169.6306       62.44312 -49.64901      151.9185 35.53642 7.498571 24.46555 11.23768 11.07087       13.50977 
1 1 1 -65 11 11 o 43.73293 7.448559 242.1060       58.89811 228.4793       63.35554 328.8519       159.8500 42.25556 6.197241 45.21030 13.54689 -2.954739      14.89712 
1 1 1 -65 11 12 o 54.80193 7.337814 450.7676       64.08036 458.1744       69.00919 404.4022       172.6586 60.41477 4.721298 49.18908 13.89545 11.22569       14.67563 
1 1 1 -65 11 13 o 29.42608 7.901403 77.65440       56.98857 53.39076       61.27888 232.9566       155.0321 21.76553 8.330005 37.08662 13.42906 -15.32109      15.80281 
1 1 1 -65 11 14 o 19.56868 6.611842 -36.69691      56.63589 -38.01572      60.58347 -27.55503      159.5074 14.94948 6.947496 24.18789 11.25158 -9.238415      13.22368 
1 1 1 -65 11 15 f 20.47295 6.654778 6.853413       59.95637 20.34276       64.53641 -78.19156      162.0442 18.73948 8.013661 22.20642 10.62664 -3.466938      13.30956 
1 1 1 -65 13 4  o 31.61921 7.394505 128.2988       81.66990 235.8120       102.4701 -58.92921      135.2233 40.47644 10.40619 22.76198 10.50837 17.71446       14.78901 
1 1 1 -65 13 5  o 24.65356 6.204650 77.51614       51.87024 115.8161       55.82881 -164.1880      140.2494 29.22629 7.763964 20.08084 9.680476 9.145449       12.40930 
1 1 1 -65 13 6  o 45.53601 7.301798 277.6343       57.92828 272.0620       62.23792 313.7418       158.4289 46.44809 5.538408 44.62394 13.51263 1.824150       14.60360 
1 1 1 -65 13 7  o 55.01251 7.061065 460.2457       70.49574 486.8398       79.00346 356.3355       156.1647 62.23558 5.246928 47.78944 13.11123 14.44614       14.12213 
1 1 1 -65 13 8  o 45.84853 7.235771 362.3020       59.38888 387.9768       63.68026 190.8388       164.5647 55.72090 4.723723 35.97615 13.67889 19.74475       14.47154 
1 1 1 -65 13 9  f 43.10516 7.703715 226.9444       60.01590 209.1555       64.24605 348.8400       168.1766 40.22602 6.601414 45.98429 13.92157 -5.758270      15.40743 
1 1 1 -65 13 10 f 39.99403 7.809577 222.5311       60.22734 218.2469       64.17982 254.1344       174.3151 41.03922 6.463936 38.94883 14.21884 2.090389       15.61915 
1 1 1 -65 13 11 o 34.59716 7.134594 195.6551       60.72178 215.1482       64.96224 60.79715       170.8672 40.52661 6.625496 28.66770 12.63774 11.85891       14.26919 
1 1 1 -65 13 12 o 67.31450 6.561903 677.7372       70.81882 694.7009       77.45805 591.3147       174.8315 74.32123 4.307759 60.30777 12.39667 14.01346       13.12381 
1 1 1 -65 13 13 o 19.45815 6.469769 -17.15612      59.54486 1.296372       63.65558 -146.3415      168.4285 17.51972 7.718969 21.39658 10.38505 -3.876863      12.93954 
1 1 1 -65 13 14 o 35.60913 7.246644 229.6888       62.94121 243.2440       66.95119 126.5913       184.6421 42.25956 6.548337 28.95870 12.92960 13.30086       14.49329 
1 1 1 -65 15 7  o 31.93129 8.374315 63.22845       84.79595 -28.79239      98.17071 333.6110       168.2783 20.05612 9.144771 43.80645 14.03174 -23.75033      16.74863 
1 1 1 -65 15 8  o 37.29852 8.446063 235.9105       88.90721 267.9358       103.1499 143.3671       175.3456 42.33815 10.19255 32.25887 13.47055 10.07928       16.89213 
1 1 1 -65 15 9  o 42.47298 7.907055 260.1043       59.92865 254.1224       63.36003 310.8864       184.6093 44.26668 5.916109 40.67928 14.66580 3.587399       15.81411 
1 1 1 -65 15 10 f 26.07808 7.224254 91.05750       60.18742 109.0794       64.10523 -43.01011      174.8456 27.47954 8.645095 24.67661 11.57677 2.802923       14.44851 
1 1 1 -65 15 11 o 28.07473 8.163754 20.40205       60.96984 -17.89378      64.71991 322.4271       181.7539 16.48122 7.479998 39.66823 14.51334 -23.18701      16.32751 
1 1 1 -65 15 12 o 48.63807 7.867934 345.0144       64.67772 327.0064       69.02177 474.7174       185.2373 49.71314 5.738687 47.56300 14.65213 2.150139       15.73587 
1 1 1 -65 15 13 o 20.30793 6.307395 24.70181       60.31602 65.71936       63.83405 -316.9542      184.2307 22.01874 8.483261 18.59711 9.336337 3.421621       12.61479 
1 1 1 -64 0  1  o 34.36115 6.702703 174.9699       68.14868 174.9699       68.14868 174.9699       68.14868 34.36115 9.479053 34.36115 9.479053 0.000000       0.000000 
1 1 1 -64 0  2  f 22.14163 7.449512 89.70661       64.41623 89.70661       64.41623 89.70661       64.41623 22.14163 10.53520 22.14163 10.53520 0.000000       0.000000 
1 1 1 -64 0  3  o 57.75177 3.648298 416.1882       70.76634 416.1882       70.76634 416.1882       70.76634 57.75177 5.159473 57.75177 5.159473 0.000000       0.000000 
1 1 1 -64 0  4  o 49.67016 3.946546 312.1673       64.89361 312.1673       64.89361 312.1673       64.89361 49.67016 5.581259 49.67016 5.581259 0.000000       0.000000 
1 1 1 -64 0  5  o 57.60893 3.676719 414.2686       71.11389 414.2686       71.11389 414.2686       71.11389 57.60893 5.199666 57.60893 5.199666 0.000000       0.000000 
1 1 1 -64 0  6  o 75.32665 2.990748 696.4493       76.52500 696.4493       76.52500 696.4493       76.52500 75.32665 4.229557 75.32665 4.229557 0.000000       0.000000 
1 1 1 -64 0  7  o 82.32006 4.172447 840.8091       116.1331 840.8091       116.1331 840.8091       116.1331 82.32006 5.900731 82.32006 5.900731 0.000000       0.000000 
1 1 1 -64 0  8  o 39.54725 5.213680 210.4190       63.35280 210.4190       63.35280 210.4190       63.35280 39.54725 7.373257 39.54725 7.373257 0.000000       0.000000 
1 1 1 -64 0  9  f 77.33664 2.932801 733.8797       77.09425 733.8797       77.09425 733.8797       77.09425 77.33664 4.147607 77.33664 4.147607 0.000000       0.000000 
1 1 1 -64 0  10 o 45.63531 4.283941 267.9954       63.59752 267.9954       63.59752 267.9954       63.59752 45.63531 6.058408 45.63531 6.058408 0.000000       0.000000 
1 1 1 -64 0  11 f 13.99576 6.130886 18.87997       58.37554 18.87997       58.37554 18.87997       58.37554 13.99576 8.670382 13.99576 8.670382 0.000000       0.000000 
1 1 1 -64 0  12 o 54.84473 3.851752 379.1925       70.64289 379.1925       70.64289 379.1925       70.64289 54.84473 5.447199 54.84473 5.447199 0.000000       0.000000 
1 1 1 -64 0  13 o 15.40773 6.631523 29.75128       65.57378 29.75128       65.57378 29.75128       65.57378 15.40773 9.378389 15.40773 9.378389 0.000000       0.000000 
1 1 1 -64 0  14 o 54.07957 4.097249 372.5066       73.61578 372.5066       73.61578 372.5066       73.61578 54.07957 5.794385 54.07957 5.794385 0.000000       0.000000 
1 1 1 -64 0  15 o 17.78750 7.092903 56.73202       65.91110 56.73202       65.91110 56.73202       65.91110 17.78750 10.03088 17.78750 10.03088 0.000000       0.000000 
1 1 1 -64 0  16 o 24.38075 8.134523 115.5747       76.64314 115.5747       76.64314 115.5747       76.64314 24.38075 11.50395 24.38075 11.50395 0.000000       0.000000 
1 1 1 -64 0  17 o 62.49345 4.172227 501.5313       87.38392 501.5313       87.38392 501.5313       87.38392 62.49345 5.900420 62.49345 5.900420 0.000000       0.000000 
1 1 1 -64 0  18 o 18.87709 7.787487 70.35131       83.46282 70.35131       83.46282 70.35131       83.46282 18.87709 11.01317 18.87709 11.01317 0.000000       0.000000 
1 1 1 -64 2  1  o 28.95081 6.309791 110.4616       46.75558 121.9495       54.68462 79.23855       90.15363 30.58606 7.457256 27.31556 10.18053 3.270500       12.61958 
1 1 1 -64 2  2  o 44.07056 5.679635 284.1203       48.67302 316.8885       56.19612 185.7228       97.38058 50.84052 4.568715 37.30060 10.39999 13.53992       11.35927 
1 1 1 -64 2  3  o 63.87782 3.941604 488.5166       52.05090 475.4545       59.40260 531.7073       108.0173 62.39464 3.935101 65.36100 6.830809 -2.966358      7.883208 
1 1 1 -64 2  4  o 32.29040 6.265517 121.2114       45.55397 102.8853       52.70039 175.3718       90.59825 28.19260 7.567747 36.38820 9.987793 -8.195601      12.53103 
1 1 1 -64 2  5  o 40.65199 5.508113 211.3340       46.08584 211.8221       53.24086 209.8751       92.03949 41.49780 5.302951 39.80618 9.655876 1.691624       11.01623 
1 1 1 -64 2  6  o 113.9042 3.090890 1627.448       74.75678 1674.226       87.65742 1502.677       143.1600 117.3069 3.088609 110.5015 5.354895 6.805328       6.181780 
1 1 1 -64 2  7  o 124.3602 3.164127 1850.057       82.85912 1806.101       95.44515 1984.533       166.9432 121.7944 3.239100 126.9261 5.436453 -5.131683      6.328254 
1 1 1 -64 2  8  o 51.99345 4.815670 309.3531       57.22445 258.7997       68.54890 425.5800       103.9391 45.68867 6.201399 58.29823 7.369218 -12.60956      9.631341 
1 1 1 -64 2  9  o 63.39093 3.337336 492.8419       51.14575 517.6415       73.88365 470.0226       70.87232 64.92319 4.703771 61.85866 4.735587 3.064533       6.674672 
1 1 1 -64 2  10 o 22.86883 5.566527 50.83281       41.58103 102.9335       58.51093 -2.326567      59.10244 28.13408 8.135168 17.60358 7.600259 10.53050       11.13305 
1 1 1 -64 2  11 o 26.29789 5.958408 87.25040       43.26616 72.05836       61.41711 102.2175       60.96062 24.57892 8.493183 28.01686 8.359206 -3.437935      11.91682 
1 1 1 -64 2  12 o 86.90770 2.928432 928.0926       61.56301 951.6007       87.39658 904.9398       86.73371 88.01206 4.104403 85.80334 4.178124 2.208717       5.856863 
1 1 1 -64 2  13 o 39.66879 5.242890 204.9570       49.12384 181.4602       69.39487 228.5581       69.54860 36.88283 8.006477 42.45475 6.771108 -5.571926      10.48578 
1 1 1 -64 2  14 o 42.56763 5.035610 235.4333       50.36221 271.9426       72.67432 201.7016       69.85515 46.24260 6.495856 38.89265 7.696318 7.349949       10.07122 
1 1 1 -64 2  15 o 38.51250 5.697137 202.8301       51.40385 230.5046       72.10550 174.2301       73.30132 41.54618 7.447125 35.47882 8.623794 6.067360       11.39427 
1 1 1 -64 2  16 o 36.52455 6.272682 188.7936       54.99266 167.7796       76.21864 211.6116       79.42303 34.26773 9.056580 38.78138 8.681275 -4.513653      12.54536 
1 1 1 -64 2  17 o 22.30836 6.486371 45.52567       56.37645 53.33992       78.93525 37.38929       80.54581 22.82255 9.228172 21.79417 9.117723 1.028379       12.97274 
1 1 1 -64 2  18 f 34.34768 6.749230 184.5166       60.93850 120.8701       84.61870 253.0874       87.83115 27.91104 9.943380 40.78432 9.128943 -12.87328      13.49846 
1 1 1 -64 4  1  o 77.81706 3.693642 750.0112       58.34515 752.6899       66.54466 741.1065       121.3279 78.53329 3.502331 77.10083 6.504279 1.432457       7.387284 
1 1 1 -64 4  2  o 49.46893 5.541372 352.9992       50.71400 386.0767       58.01332 245.8061       104.4348 56.14629 4.270753 42.79157 10.22682 13.35471       11.08274 
1 1 1 -64 4  3  o 36.21500 6.048772 173.1479       47.68784 178.9489       55.01674 155.6217       95.62868 38.02074 5.980976 34.40926 10.51563 3.611477       12.09754 
1 1 1 -64 4  4  o 80.01691 3.552838 788.2346       59.30573 789.5401       68.43074 784.2951       118.8704 80.47317 3.514777 79.56065 6.175514 0.9125137      7.105676 
1 1 1 -64 4  5  o 76.56888 3.751180 741.1445       58.73609 759.4104       67.57647 684.7115       118.7796 78.92096 3.539165 74.21680 6.615112 4.704163       7.502360 
1 1 1 -64 4  6  o 41.90894 5.785855 278.7276       47.91819 325.8554       55.04377 131.2314       97.37777 51.58263 4.410648 32.23526 10.69816 19.34737       11.57171 
1 1 1 -64 4  7  f 20.30422 6.166672 5.985786       47.41677 4.902004       54.32273 9.453896       97.17554 17.49756 7.412933 23.11089 9.856966 -5.613333      12.33334 
1 1 1 -64 4  8  o 25.46929 6.484653 75.37727       47.51718 89.43593       53.18954 19.80964       105.7464 26.39441 7.792356 24.54417 10.36736 1.850245       12.96931 
1 1 1 -64 4  9  o 130.8264 3.297415 2145.705       89.25288 2187.966       103.0720 2019.036       178.4455 133.9976 3.179370 127.6551 5.777835 6.342529       6.594830 
1 1 1 -64 4  10 o 50.62736 5.359897 308.8929       51.27924 296.0251       57.10073 362.5223       116.5713 49.02419 4.814253 52.23052 9.577940 -3.206329      10.71979 
1 1 1 -64 4  11 o 42.59544 6.435378 243.8314       52.75439 247.3029       58.66064 229.1493       120.6362 44.64750 5.430594 40.54339 11.66898 4.104111       12.87076 
1 1 1 -64 4  12 o 116.4024 3.673853 1717.089       93.99591 1771.072       112.7794 1594.289       170.0987 120.1208 3.880692 112.6840 6.239312 7.436874       7.347706 
1 1 1 -64 4  13 f 45.07981 4.868902 265.3929       50.79947 214.5911       72.95237 313.2134       70.77950 40.21820 7.778783 49.94143 5.857930 -9.723236      9.737803 
1 1 1 -64 4  14 o 34.18710 5.945563 160.3816       49.42527 193.9249       69.63218 126.3214       70.16665 37.99380 7.835448 30.38040 8.944530 7.613400       11.89113 
1 1 1 -64 4  15 o 44.52850 4.784865 256.4462       51.50011 269.1308       72.98848 243.8697       72.67684 45.69437 6.602209 43.36264 6.927524 2.331738       9.569731 
1 1 1 -64 4  16 o 25.26417 6.511880 82.11870       51.60823 78.89205       70.93594 85.74710       75.22266 24.85379 9.070893 25.67455 9.345440 -0.8207588     13.02376 
1 1 1 -64 4  17 o 32.10836 6.883221 156.7280       58.40928 138.1552       82.04160 175.8182       83.17649 30.21699 9.809666 33.99973 9.658435 -3.782734      13.76644 
1 1 1 -64 4  18 o 22.00493 6.533833 48.50151       58.69566 45.23809       80.06730 52.29268       86.29894 21.58382 9.063830 22.42604 9.413335 -0.8422222     13.06767 
1 1 1 -64 6  1  o 32.15186 6.993966 126.9557       50.93219 122.5727       56.62963 145.5086       116.5110 30.54953 7.672431 33.75418 11.69598 -3.204651      13.98793 
1 1 1 -64 6  2  o 67.05917 4.479543 561.7144       57.27461 562.7635       63.86901 557.4063       129.4239 67.82520 3.892215 66.29314 8.069442 1.532059       8.959086 
1 1 1 -64 6  3  o 27.06572 6.762377 45.04098       46.48952 17.29980       51.29070 172.7543       110.0511 18.09295 7.392833 36.03849 11.32541 -17.94555      13.52475 
1 1 1 -64 6  4  o 25.33861 6.705639 61.46544       48.04239 56.02132       54.38807 80.79714       102.4884 22.40470 7.972798 28.27253 10.78410 -5.867825      13.41128 
1 1 1 -64 6  5  o 104.6866 3.313847 1331.516       71.14599 1318.947       81.21378 1372.992       147.5292 104.0461 3.226278 105.3271 5.789426 -1.281013      6.627694 
1 1 1 -64 6  6  o 67.40833 4.300676 566.4496       56.42969 568.4058       63.36599 558.9530       124.0450 68.19902 3.840394 66.61764 7.696403 1.581383       8.601352 
1 1 1 -64 6  7  o 65.40251 4.391997 543.7762       57.93538 554.4773       66.22177 508.8638       119.6124 67.30646 4.066697 63.49857 7.785919 3.807884       8.783995 
1 1 1 -64 6  8  o 38.00830 6.646642 143.8971       49.43498 113.5917       54.15700 295.3004       121.0492 29.47028 7.559077 46.54633 10.93489 -17.07605      13.29328 
1 1 1 -64 6  9  o 25.16703 6.417568 75.71826       48.29132 97.26198       53.09308 -27.48364      116.2041 27.31881 7.701286 23.01526 10.26795 4.303551       12.83514 
1 1 1 -64 6  10 o 52.38782 5.571562 337.8259       53.14030 328.2713       58.68749 381.3206       125.2155 51.60466 4.700612 53.17097 10.10314 -1.566319      11.14312 
1 1 1 -64 6  11 o 64.70213 4.960151 530.8367       60.28876 531.4971       66.98209 528.0190       138.3596 65.73293 4.211855 63.67134 8.981796 2.061596       9.920301 
1 1 1 -64 6  12 o 31.87821 7.118465 138.1034       54.05929 145.6639       59.34590 101.2493       131.0256 33.10454 7.573846 30.65188 12.05517 2.452660       14.23693 
1 1 1 -64 6  13 o 110.2116 3.791572 1574.405       81.65776 1616.810       92.46564 1424.152       174.0520 114.8431 3.327922 105.5801 6.813883 9.263000       7.583143 
1 1 1 -64 6  14 o 38.00459 6.973391 196.1282       56.13719 190.5159       63.08208 217.4896       123.0695 37.84954 7.150852 38.15963 11.97406 -0.3100815     13.94678 
1 1 1 -64 6  15 o 20.48412 6.606681 -28.82172      53.71752 -44.06818      58.99901 45.08031       129.8938 14.65305 6.825139 26.31520 11.31417 -11.66215      13.21336 
1 1 1 -64 6  16 o 34.57030 6.183456 174.6669       54.93639 247.7863       77.31941 100.1217       78.06960 42.25277 7.852698 26.88782 9.553830 15.36495       12.36691 
1 1 1 -64 6  17 o 19.56170 6.050792 -5.128723      58.46808 -77.67602      86.18215 56.73547       79.58412 16.37554 7.812415 22.74787 9.241997 -6.372326      12.10158 
1 1 1 -64 6  18 o 31.87967 7.249709 173.5104       63.53175 180.8427       89.84722 166.1780       89.84772 32.57482 10.23254 31.18451 10.27270 1.390310       14.49942 
1 1 1 -64 8  1  o 32.26727 6.393051 149.1707       48.89796 165.6337       55.20752 89.24449       105.3301 35.79484 6.618723 28.73969 10.93969 7.055153       12.78610 
1 1 1 -64 8  2  o 58.08420 4.997796 437.4963       55.02789 445.8555       61.58665 404.4022       122.5412 60.25707 4.224509 55.91133 9.058993 4.345741       9.995591 
1 1 1 -64 8  3  o 40.92326 6.352946 275.5013       52.92736 314.6987       58.89385 110.9221       120.6781 50.53265 4.817209 31.31386 11.75730 19.21879       12.70589 
1 1 1 -64 8  4  o 32.01949 6.796991 136.9114       49.92558 143.9661       55.08766 104.4735       118.1254 33.27002 7.062239 30.76895 11.61555 2.501076       13.59398 
1 1 1 -64 8  5  o 84.93874 3.942690 920.9841       64.40190 940.1436       72.35768 847.9477       141.2742 87.76050 3.407872 82.11698 7.110951 5.643517       7.885380 
1 1 1 -64 8  6  o 32.81881 6.783722 126.6108       49.16512 113.3549       55.23712 177.1565       107.8617 29.39697 7.681498 36.24064 11.18348 -6.843668      13.56744 
1 1 1 -64 8  7  o 51.93555 6.063107 380.3902       56.56245 400.2573       63.36170 302.4390       125.5079 57.03674 4.591661 46.83437 11.22327 10.20237       12.12621 
1 1 1 -64 8  8  o 41.23378 6.356396 305.2559       53.06164 350.7347       57.85842 64.59251       133.0967 53.39388 4.478914 29.07368 11.89766 24.32020       12.71279 
1 1 1 -64 8  9  o 32.73331 6.949967 140.1452       51.44062 141.9508       56.97575 132.1832       119.6423 32.86860 7.349244 32.59804 11.79817 0.2705574      13.89993 
1 1 1 -64 8  10 o 76.71442 4.089606 672.4523       60.77920 633.7061       67.22509 845.9250       142.2436 71.85403 3.867034 81.57481 7.207327 -9.720787      8.179213 
1 1 1 -64 8  11 o 20.94960 6.486003 12.13879       52.15365 27.78106       56.88334 -70.36288      130.6371 19.55562 7.859528 22.34358 10.31992 -2.787958      12.97201 
1 1 1 -64 8  12 o 67.42487 5.168784 598.2910       63.60904 606.4293       70.41040 562.1654       148.3453 70.08038 4.152772 64.76935 9.466773 5.311035       10.33757 
1 1 1 -64 8  13 o 25.96006 7.044974 78.69790       56.02826 94.01335       61.27456 0.5743011      138.3905 26.56489 8.462744 25.35524 11.26537 1.209652       14.08995 
1 1 1 -64 8  14 o 21.47739 6.675907 17.08491       53.07228 23.15339       57.84311 -15.21713      133.4525 18.96468 7.811604 23.99011 10.82819 -5.025433      13.35181 
1 1 1 -64 8  15 o 37.16834 7.691740 146.4064       55.93971 113.8297       60.25826 349.5538       150.4765 28.44135 8.264920 45.89534 12.97469 -17.45399      15.38348 
1 1 1 -64 8  16 o 21.02844 6.858192 -4.349527      58.64585 -5.939575      63.39601 5.083879       154.4156 17.11704 7.613991 24.93985 11.40905 -7.822811      13.71638 
1 1 1 -64 8  17 f 28.92673 7.386736 138.3813       62.85200 150.1948       68.28261 72.84949       160.8223 31.31942 8.700278 26.53404 11.93988 4.785376       14.77347 
1 1 1 -64 10 1  o 36.91641 6.685959 200.1125       54.37320 216.8033       60.56331 130.7555       123.4571 41.54310 6.025712 32.28973 11.93729 9.253368       13.37192 
1 1 1 -64 10 2  o 20.90481 6.151026 23.65102       50.53592 56.14915       55.46972 -135.0387      122.5748 22.29423 8.038859 19.51539 9.312208 2.778841       12.30205 
1 1 1 -64 10 3  o 23.68399 6.779238 47.80027       50.45253 56.78968       55.08889 1.037716       125.6456 22.36605 8.017073 25.00193 10.93430 -2.635874      13.55848 
1 1 1 -64 10 4  o 34.55058 7.169389 139.9288       50.87704 128.9167       55.43082 198.8102       128.1754 31.26232 7.436880 37.83884 12.25942 -6.576517      14.33878 
1 1 1 -64 10 5  o 69.87366 4.225353 570.9623       57.76576 545.1299       64.26799 679.5955       131.7935 66.64301 3.986004 73.10429 7.451591 -6.461281      8.450706 
1 1 1 -64 10 6  o 70.09138 4.945270 688.9406       60.43522 727.1602       66.92052 519.9286       140.7262 77.07095 3.588941 63.11181 9.216413 13.95914       9.890539 
1 1 1 -64 10 7  f 25.43190 7.065993 59.66568       52.53804 59.99126       57.88637 58.14396       125.1436 22.92552 8.218058 27.93828 11.49681 -5.012762      14.13199 
1 1 1 -64 10 8  o 23.33758 5.836318 55.46559       52.01422 112.9897       56.63892 -254.2534      131.4238 29.16508 7.852466 17.51008 8.636504 11.65501       11.67264 
1 1 1 -64 10 9  o 34.38426 7.041162 165.2096       54.31747 172.6353       59.84901 130.5175       129.3612 36.28261 7.072125 32.48592 12.17772 3.796688       14.08232 
1 1 1 -64 10 10 o 50.10197 6.503100 346.0256       57.48100 350.7812       63.25782 323.4979       137.6799 53.11555 4.922551 47.08839 12.03868 6.027161       13.00620 
1 1 1 -64 10 11 o 42.50359 7.335438 236.9854       57.03242 231.3015       61.38984 272.8138       154.1299 42.79078 5.929854 42.21640 13.41907 0.5743828      14.67088 
1 1 1 -64 10 12 o 52.54403 6.758434 335.2987       61.56643 314.1856       66.66020 457.8228       160.5837 49.90675 5.520839 55.18131 12.33799 -5.274563      13.51687 
1 1 1 -64 10 13 o 35.00354 7.294168 191.1298       61.52422 207.6515       67.57890 111.1243       148.7110 39.25282 7.387122 30.75425 12.57974 8.498566       14.58834 
1 1 1 -64 10 14 f 17.10554 5.772315 -56.63577      56.73835 -15.92889      60.92665 -322.5461      155.7188 16.39925 7.366957 17.81183 8.888556 -1.412582      11.54463 
1 1 1 -64 10 15 o 31.26275 6.501473 172.1242       60.82840 214.7557       66.42530 -49.35158      151.4019 39.44635 7.226556 23.07914 10.80988 16.36721       13.00295 
1 1 1 -64 10 16 o 20.59315 6.370046 21.23458       60.55569 63.19717       64.50371 -290.4224      175.7891 22.23182 8.537341 18.95449 9.456413 3.277323       12.74009 
1 1 1 -64 12 2  o 31.18613 6.749222 147.6448       54.22723 171.1114       58.75393 12.71862       140.8835 36.03500 6.991449 26.33727 11.54676 9.697731       13.49844 
1 1 1 -64 12 3  o 29.46558 7.251187 109.8951       54.06856 114.3882       59.05379 86.60322       134.4546 29.17907 8.085759 29.75208 12.03908 -0.5730076     14.50237 
1 1 1 -64 12 4  o 73.60832 4.412550 612.5646       62.36109 570.4269       68.66180 811.0649       149.0254 68.00194 4.173415 79.21471 7.775926 -11.21278      8.825101 
1 1 1 -64 12 5  o 33.25090 7.506095 127.3776       52.28014 116.8611       56.32191 192.8614       140.5429 29.55532 7.772857 36.94647 12.84323 -7.391148      15.01219 
1 1 1 -64 12 6  o 50.01540 7.236099 436.1772       60.11147 471.5346       64.61871 208.9233       163.8227 61.78291 4.323024 38.24789 13.81144 23.53501       14.47220 
1 1 1 -64 12 7  o 51.58266 6.733142 364.0335       59.24128 365.9242       64.55998 353.9560       149.0466 54.24201 4.919549 48.92330 12.53550 5.318707       13.46628 
1 1 1 -64 12 8  o 40.59924 6.846454 286.6823       57.78262 319.3621       62.27045 84.16419       155.0152 50.59445 5.087177 30.60403 12.71284 19.99042       13.69291 
1 1 1 -64 12 9  o 27.02193 7.471813 75.83689       55.56232 76.74592       59.86359 70.18442       149.2770 24.62300 8.389315 29.42085 12.36654 -4.797844      14.94363 
1 1 1 -64 12 10 o 32.30067 8.013859 114.0930       58.37812 98.62875       62.84497 211.4218       157.6620 27.10175 8.563805 37.49959 13.54802 -10.39784      16.02772 
1 1 1 -64 12 11 o 77.33509 5.695361 870.6406       71.35227 906.8735       77.75610 677.4539       179.5442 85.67013 3.751481 69.00005 10.75523 16.67007       11.39072 
1 1 1 -64 12 12 o 34.00697 7.877593 164.5285       61.44720 165.6432       65.86691 157.0494       170.6216 34.55278 8.031709 33.46114 13.55424 1.091640       15.75519 
1 1 1 -64 12 13 o 28.75251 7.861010 66.68746       57.36398 40.29390       61.77675 231.8858       154.5535 20.58191 8.219309 36.92310 13.40242 -16.34120      15.72202 
1 1 1 -64 12 14 o 26.16338 7.171473 93.62921       58.80171 108.1812       63.35310 3.129090       157.9904 27.30019 8.595132 25.02657 11.48233 2.273623       14.34295 
1 1 1 -64 12 15 o 35.02351 8.026327 193.9513       62.88614 186.8455       67.06585 245.6871       180.9639 35.72865 7.962146 34.31837 13.93886 1.410278       16.05265 
1 1 1 -64 14 4  o 20.55272 6.836088 -89.43486      79.87216 -117.4420      97.12755 -30.93397      140.3748 16.93652 8.137007 24.16892 10.98715 -7.232401      13.67218 
1 1 1 -64 14 5  o 34.57657 7.533417 130.4084       52.78239 109.9003       56.96210 254.9673       140.3817 28.43470 7.963313 40.71843 12.79043 -12.28373      15.06683 
1 1 1 -64 14 6  o 65.19646 6.450581 594.3243       74.83393 605.9735       83.46545 546.5794       168.9749 69.57609 4.958433 60.81682 11.91024 8.759270       12.90116 
1 1 1 -64 14 7  o 76.94125 5.102092 790.1979       77.03414 807.5705       87.47236 730.1606       162.6108 80.53567 4.489317 73.34683 9.163590 7.188835       10.20418 
1 1 1 -64 14 8  o 42.09573 7.786368 210.8875       57.32581 193.3024       60.91505 347.0553       169.5077 38.17247 6.847455 46.01900 13.98651 -7.846523      15.57274 
1 1 1 -64 14 9  o 24.44105 7.433814 36.57406       55.62404 33.00103       59.27350 62.93872       161.0102 19.94635 8.020700 28.93576 12.51857 -8.989414      14.86763 
1 1 1 -64 14 10 f 26.26298 7.516860 76.76302       58.32608 85.47195       61.73464 4.366449       177.9941 25.25896 8.519833 27.26700 12.38649 -2.008038      15.03372 
1 1 1 -64 14 11 o 53.92068 7.646533 436.9858       62.83802 437.7589       66.80679 431.0529       185.0706 58.90672 4.687632 48.93465 14.55692 9.972069       15.29307 
1 1 1 -64 14 12 o 25.40764 7.827715 9.079633       58.81218 -15.95393      62.45880 204.8781       174.6775 16.44379 7.416258 34.37148 13.78737 -17.92769      15.65543 
1 1 1 -64 14 13 o 23.91528 7.021794 66.88745       59.05631 85.15301       62.72958 -75.51458      175.1516 24.53665 8.577483 23.29391 11.11976 1.242737       14.04359 
1 1 1 -64 14 14 o 23.70537 7.303799 57.72506       59.55961 59.38766       63.27631 44.80666       176.3810 21.61368 8.412814 25.79705 11.94180 -4.183367      14.60760 
1 1 1 -64 16 8  o 44.99995 8.614596 320.1195       89.51690 306.2463       104.9472 357.1684       171.5022 45.50555 9.820467 44.49435 14.15639 1.011196       17.22919 
1 1 1 -64 16 9  o 28.77265 7.742110 115.9739       85.63027 181.0827       97.93537 -95.38371      176.4528 34.02511 10.68238 23.52019 11.20927 10.50492       15.48422 
1 1 1 -64 16 10 o 28.35243 7.891208 100.6594       60.31170 94.86465       64.34959 142.5342       172.9831 25.78251 8.698393 30.92236 13.16900 -5.139853      15.78242 
1 1 1 -64 16 11 o 20.86420 7.124640 -64.84155      59.19115 -85.11158      62.73016 99.75015       178.7529 13.12761 6.363830 28.60080 12.74926 -15.47319      14.24928 
1 1 1 -64 16 12 o 25.87226 7.903809 66.22562       61.74676 52.99618       65.40904 174.5390       187.1578 21.19284 8.459330 30.55167 13.35367 -9.358835      15.80762 
1 1 1 -63 1  1  o 110.7390 3.168815 1448.553       71.70471 1404.513       81.30981 1602.617       152.0804 107.4314 3.128306 114.0466 5.511737 -6.615211      6.337630 
1 1 1 -63 1  2  o 95.39853 3.222659 1120.260       63.78654 1126.269       73.45994 1101.844       128.5995 96.21499 3.155771 94.58207 5.619896 1.632919       6.445318 
1 1 1 -63 1  3  o 109.1784 3.114107 1510.086       70.85230 1566.379       82.47936 1351.577       138.4039 113.5106 3.003355 104.8463 5.456235 8.664276       6.228213 
1 1 1 -63 1  4  o 24.84239 6.434804 61.77024       47.68999 54.18708       57.54193 78.40572       85.22699 22.58574 8.180916 27.09903 9.934758 -4.513288      12.86961 
1 1 1 -63 1  5  o 27.87025 5.554232 101.3392       39.76450 74.72900       60.60415 121.4557       52.69309 25.06913 8.441534 30.67137 7.220696 -5.602240      11.10846 
1 1 1 -63 1  6  o 63.98930 3.213455 500.4446       49.71762 490.7089       68.86648 511.0426       71.85113 63.34766 4.493399 64.63094 4.595056 -1.283272      6.426910 
1 1 1 -63 1  7  o 55.81976 4.346907 369.3774       57.14668 321.4891       71.50876 454.0155       95.06651 51.07978 5.786393 60.55973 6.488455 -9.479958      8.693813 
1 1 1 -63 1  8  o 63.46796 3.222262 493.0579       49.47241 501.0800       70.64390 485.3372       69.30443 63.97324 4.564298 62.96268 4.549623 1.010555       6.444524 
1 1 1 -63 1  9  o 68.37766 3.029081 572.2373       50.02141 616.3222       71.23181 529.3470       70.26011 71.00108 4.146739 65.75424 4.416546 5.246834       6.058162 
1 1 1 -63 1  10 o 38.46940 4.741638 187.3010       42.80540 221.9355       61.81386 155.3895       59.33422 42.31882 6.037400 34.61997 7.313161 7.698849       9.483276 
1 1 1 -63 1  11 o 17.66730 5.282629 -5.244829      41.01993 -44.30700      57.69418 34.68713       58.33297 14.76706 6.833739 20.56755 8.057585 -5.800487      10.56526 
1 1 1 -63 1  12 o 33.48449 5.596159 147.9642       45.10479 113.5960       63.04861 183.9929       64.55361 29.38507 8.429646 37.58392 7.362679 -8.198854      11.19232 
1 1 1 -63 1  13 o 32.91149 5.792799 143.6109       46.91269 188.8373       67.80136 102.0729       64.97781 37.86958 7.663315 27.95341 8.689054 9.916168       11.58560 
1 1 1 -63 1  14 o 22.14891 5.939584 49.69798       43.81637 58.48720       63.84975 41.87469       60.23916 23.10433 8.576148 21.19349 8.219750 1.910841       11.87917 
1 1 1 -63 1  15 o 20.22929 5.871349 23.84791       46.63026 45.11637       66.34370 3.082951       65.55370 21.91325 8.590777 18.54533 8.005592 3.367920       11.74270 
1 1 1 -63 1  16 o 20.21225 5.987982 22.19763       49.29112 16.74184       70.15904 27.51539       69.26587 19.86537 8.420724 20.55912 8.515580 -0.6937485     11.97596 
1 1 1 -63 1  17 o 22.44252 6.467346 45.75099       55.60737 58.16781       75.93491 31.39196       81.65800 23.20594 9.161189 21.67910 9.131204 1.526840       12.93469 
1 1 1 -63 1  18 o 15.19533 5.190027 -97.73126      57.70002 -93.98135      80.76005 -101.6414      82.46703 15.21842 7.338821 15.17225 7.340793 0.4616928E-01  10.38005 
1 1 1 -63 1  19 o 26.79657 6.350871 98.43781       59.95199 -18.28990      87.98305 199.6122       81.91197 18.45051 8.503340 35.14263 9.435436 -16.69212      12.70174 
1 1 1 -63 3  1  f 21.11456 6.113793 27.71999       44.32624 32.31763       50.67969 12.75431       91.43542 19.51171 7.547206 22.71741 9.620475 -3.205698      12.22759 
1 1 1 -63 3  2  o 67.59602 3.946140 574.4564       53.98789 584.5544       61.72524 541.5824       111.3709 69.23431 3.685014 65.95774 6.979167 3.276566       7.892281 
1 1 1 -63 3  3  o 71.28677 3.667410 581.4215       54.10905 545.1099       61.31608 709.2207       115.0312 66.85394 3.790925 75.71961 6.279211 -8.865677      7.334821 
1 1 1 -63 3  4  o 76.22134 3.563226 722.8151       56.40728 732.8782       65.14899 692.6829       112.7343 77.57568 3.471201 74.86700 6.223911 2.708679       7.126451 
1 1 1 -63 3  5  o 32.87645 5.458081 167.5121       44.87328 217.1606       52.59576 34.69364       86.02541 42.05982 5.168696 23.69308 9.614944 18.36675       10.91616 
1 1 1 -63 3  6  o 79.41755 3.398380 758.1268       56.99755 743.0576       65.81566 803.3314       113.9922 78.10983 3.482741 80.72527 5.836648 -2.615433      6.796761 
1 1 1 -63 3  7  o 45.19319 5.491025 262.3311       51.81683 265.4094       60.89507 254.2534       98.64323 46.44897 5.418808 43.93741 9.552066 2.511559       10.98205 
1 1 1 -63 3  8  o 65.54240 3.892123 497.6837       52.31623 471.8519       59.16782 590.2439       112.0006 62.16513 3.934018 68.91965 6.716992 -6.754520      7.784245 
1 1 1 -63 3  9  o 102.7555 3.327513 1356.580       70.63869 1420.605       82.15462 1175.015       138.3481 108.0257 3.143423 97.48537 5.865855 10.54028       6.655025 
1 1 1 -63 3  10 o 36.55890 6.104738 197.4064       46.97948 218.2031       52.55627 114.7174       104.7976 42.08340 5.161922 31.03439 11.06462 11.04901       12.20948 
1 1 1 -63 3  11 o 74.58713 3.021940 685.1712       54.29422 625.4263       77.84835 741.7559       75.76141 71.34982 4.509768 77.82445 4.023738 -6.474632      6.043880 
1 1 1 -63 3  12 o 17.03599 5.172572 -29.57248      43.10414 -100.0156      61.24837 39.55252       60.67263 12.87908 6.253639 21.19290 8.240994 -8.313819      10.34514 
1 1 1 -63 3  13 o 41.04298 4.975986 217.4551       47.72733 261.5610       68.52232 175.8946       66.51569 45.63982 6.205628 36.44613 7.780227 9.193699       9.951972 
1 1 1 -63 3  14 o 22.93374 6.060974 56.04945       45.70599 40.04680       65.53992 71.20060       63.77238 21.51771 8.505873 24.34978 8.636650 -2.832073      12.12195 
1 1 1 -63 3  15 o 37.73465 5.640637 192.6595       50.93709 240.0445       71.62746 144.1779       72.45147 43.20324 6.852687 32.26606 8.961464 10.93718       11.28127 
1 1 1 -63 3  16 o 28.10359 6.392467 104.2502       52.76591 158.2097       74.74589 50.64624       74.49926 33.41566 9.030773 22.79152 9.049844 10.62414       12.78493 
1 1 1 -63 3  17 o 26.87064 6.800828 99.51349       56.01483 95.36152       77.83817 103.9733       80.67166 26.43950 9.524158 27.30179 9.710586 -0.8622952     13.60166 
1 1 1 -63 3  18 o 16.16907 5.411585 -62.30000      56.22296 -68.66412      78.98089 -55.76201      80.05247 15.85504 7.540254 16.48309 7.764380 -0.6280518     10.82317 
1 1 1 -63 5  1  o 36.22704 5.764474 223.1130       47.92509 272.0583       53.76849 33.93219       105.7087 47.06840 4.721675 25.38568 10.51772 21.68271       11.52895 
1 1 1 -63 5  2  o 99.43443 3.341609 1203.641       68.34448 1195.093       78.15997 1231.410       140.8661 99.05785 3.261318 99.81102 5.833455 -0.7531662     6.683217 
1 1 1 -63 5  3  o 66.05592 4.068761 529.2168       54.56189 521.4432       61.95086 556.0976       115.2015 65.34699 3.918496 66.76484 7.131945 -1.417847      8.137522 
1 1 1 -63 5  4  f 53.23453 5.111590 381.4365       49.54874 397.8736       55.74382 319.5717       108.1451 57.07165 4.037142 49.39741 9.392280 7.674236       10.22318 
1 1 1 -63 5  5  o 25.84477 6.607913 53.57380       45.07358 35.21793       50.51415 125.2826       99.84164 19.81489 7.567908 31.87465 10.83443 -12.05976      13.21583 
1 1 1 -63 5  6  o 28.47926 6.568635 74.74481       45.43389 50.16092       51.24090 165.1398       98.25703 21.52887 7.730416 35.42966 10.62208 -13.90079      13.13727 
1 1 1 -63 5  7  o 67.67123 4.364810 547.5431       65.84038 518.7435       78.17134 617.8466       122.1357 64.98901 4.971704 70.35345 7.175543 -5.364433      8.729619 
1 1 1 -63 5  8  o 100.7638 3.486203 1249.148       70.37274 1250.472       79.76268 1244.497       149.4966 101.3252 3.253720 100.2025 6.166665 1.122665       6.972406 
1 1 1 -63 5  9  o 44.41220 5.737795 241.2553       49.67101 231.9326       55.79641 276.8590       109.0393 43.36645 5.318021 45.45795 10.16896 -2.091507      11.47559 
1 1 1 -63 5  10 o 104.0543 3.454451 1390.410       72.22288 1441.352       82.76863 1227.841       147.8590 108.7552 3.145673 99.35350 6.151234 9.401680       6.908903 
1 1 1 -63 5  11 o 91.49606 3.626192 995.1227       64.17754 969.6792       71.38876 1102.320       146.5320 89.13019 3.310570 93.86194 6.452689 -4.731750      7.252383 
1 1 1 -63 5  12 o 21.47400 6.523759 17.46457       50.62659 24.00032       56.06404 -11.41107      117.8426 19.20607 7.773219 23.74193 10.47926 -4.535854      13.04752 
1 1 1 -63 5  13 o 34.16590 7.085960 104.5813       52.45764 66.26397       57.70867 286.8531       125.8644 23.51982 8.226768 44.81199 11.53965 -21.29217      14.17192 
1 1 1 -63 5  14 o 55.32782 4.952770 366.2751       54.84189 346.7121       61.49968 442.2368       121.1861 52.79142 4.815121 57.86422 8.656462 -5.072796      9.905540 
1 1 1 -63 5  15 o 63.00617 3.781217 503.3174       56.82193 601.2615       80.77329 407.3604       79.94973 69.35336 4.813910 56.65897 5.832383 12.69439       7.562434 
1 1 1 -63 5  16 o 16.31179 5.294693 -52.95607      49.82055 5.417705       70.64993 -110.6962      70.26544 19.02728 8.262098 13.59631 6.623656 5.430971       10.58939 
1 1 1 -63 5  17 f 30.04507 6.459350 131.6322       55.25356 190.4277       76.70624 68.22459       79.65800 36.10152 8.850453 23.98862 9.410754 12.11290       12.91870 
1 1 1 -63 5  18 o 24.91928 6.505773 71.73487       57.38657 0.2356548      78.30212 154.7026       84.34850 18.79646 8.404111 31.04210 9.933340 -12.24563      13.01155 
1 1 1 -63 7  1  o 53.03532 6.225306 476.1311       54.87802 542.4179       61.41014 213.3254       122.2767 66.59732 3.811369 39.47333 11.85290 27.12399       12.45061 
1 1 1 -63 7  2  o 69.81250 4.263931 599.7635       55.74667 596.8156       61.70721 612.8495       130.0105 69.90899 3.648384 69.71602 7.708031 0.1929703      8.527863 
1 1 1 -63 7  3  o 85.84523 3.762308 973.1624       62.72324 1024.465       71.34056 798.4533       131.6507 91.70279 3.215523 79.98767 6.802959 11.71512       7.524616 
1 1 1 -63 7  4  o 36.75514 5.945054 215.5182       47.15897 250.4926       52.88546 79.75014       104.1982 45.15347 4.841087 28.35682 10.85995 16.79665       11.89011 
1 1 1 -63 7  5  o 27.86769 6.810771 86.91352       45.83705 85.81963       50.14731 92.46877       113.0088 25.86920 7.546102 29.86618 11.34032 -3.996986      13.62154 
1 1 1 -63 7  6  o 45.01470 6.011698 293.6836       49.10120 313.9455       54.71565 209.8751       111.2797 50.60648 4.468925 39.42293 11.16202 11.18355       12.02340 
1 1 1 -63 7  7  o 16.31877 5.593831 -112.4413      57.18780 -112.4315      66.58366 -112.4688      111.6587 13.33481 6.485385 19.30273 9.116115 -5.967919      11.18766 
1 1 1 -63 7  8  o 20.28398 6.393134 -3.770466      47.94718 -0.1545397E-01 52.15609 -24.25937      121.8313 16.74850 7.184275 23.81945 10.57709 -7.070955      12.78627 
1 1 1 -63 7  9  o 31.10135 6.544268 132.7024       49.40068 145.8243       55.70405 84.36645       106.9109 33.49530 7.094597 28.70739 10.99893 4.787916       13.08854 
1 1 1 -63 7  10 o 34.23884 6.811468 124.0148       48.21063 101.7016       53.13380 227.9595       114.6810 27.86602 7.648912 40.61166 11.27291 -12.74564      13.62294 
1 1 1 -63 7  11 o 72.57187 4.720751 692.4682       61.94508 709.3792       68.51630 616.7758       144.9562 76.09381 3.721708 69.04993 8.677031 7.043877       9.441503 
1 1 1 -63 7  12 o 77.36491 4.364925 757.4786       64.15265 760.8907       71.54835 743.4860       144.8882 78.73677 3.755949 75.99306 7.880555 2.743713       8.729851 
1 1 1 -63 7  13 o 49.57637 6.348509 328.6591       57.39531 328.0179       63.60715 331.4694       133.1603 51.28571 5.126338 47.86703 11.61615 3.418678       12.69702 
1 1 1 -63 7  14 o 30.59344 7.099096 88.40158       53.58815 51.11039       60.32982 227.8406       116.6598 21.90535 8.293437 39.28153 11.52422 -17.37618      14.19819 
1 1 1 -63 7  15 f 48.53578 6.290398 284.1650       55.80966 261.5072       61.09713 398.3343       137.1470 45.38012 5.564842 51.69144 11.28313 -6.311317      12.58080 
1 1 1 -63 7  16 o 24.29453 6.770204 69.41323       57.81120 97.52497       62.75866 -88.09042      148.5508 26.44472 8.579458 22.14433 10.47547 4.300394       13.54041 
1 1 1 -63 7  17 o 26.17530 6.728739 94.70585       56.41634 130.7856       81.41199 61.37316       78.25135 29.26335 9.784297 23.08725 9.239657 6.176094       13.45748 
1 1 1 -63 7  18 o 18.17682 5.802750 -38.08910      59.03860 -130.8849      83.46983 54.81063       83.51655 14.15188 6.961224 22.20176 9.285955 -8.049877      11.60550 
1 1 1 -63 9  1  o 36.37695 6.190838 212.6130       51.01633 247.7462       56.92459 69.23260       114.9970 44.71597 5.261807 28.03792 11.20800 16.67805       12.38168 
1 1 1 -63 9  2  o 53.54737 5.933922 442.2122       54.21926 487.7303       60.87665 267.5788       119.2401 63.08497 3.988619 44.00978 11.17751 19.07519       11.86784 
1 1 1 -63 9  3  o 73.11536 4.352041 675.3006       59.92657 681.2625       66.69726 650.3272       136.5065 74.64402 3.693267 71.58669 7.881676 3.057327       8.704082 
1 1 1 -63 9  4  o 58.27082 5.957249 525.0319       56.56463 574.7532       62.94387 316.3593       128.9480 68.55022 3.795266 47.99142 11.29386 20.55880       11.91450 
1 1 1 -63 9  5  o 53.35898 5.408910 374.2794       53.25104 381.3413       59.75996 347.0553       117.3339 55.72911 4.432267 50.98885 9.868143 4.740257       10.81782 
1 1 1 -63 9  6  o 76.79346 4.272413 771.0322       61.39698 795.6666       68.64129 672.4569       137.3088 80.71715 3.514935 72.86976 7.788407 7.847389       8.544826 
1 1 1 -63 9  7  f 87.73206 4.215295 989.6961       78.73774 1030.460       92.90684 885.7823       148.3353 91.65781 4.189632 83.80630 7.315861 7.851501       8.430590 
1 1 1 -63 9  8  o 61.71161 5.326114 496.0582       56.98979 502.7892       62.24273 461.1541       141.7382 64.04083 4.017254 59.38239 9.865679 4.658447       10.65223 
1 1 1 -63 9  9  o 58.27977 5.777546 491.6821       57.55253 523.6652       64.19749 360.7377       129.8978 65.31719 4.062452 51.24236 10.81742 14.07484       11.55509 
1 1 1 -63 9  10 o 31.58697 7.217039 106.9111       51.36505 88.99508       56.66130 189.5300       121.6761 26.20445 8.108801 36.96949 11.94110 -10.76504      14.43408 
1 1 1 -63 9  11 o 23.73453 6.940317 43.44727       52.52194 50.72904       57.04021 2.869720       134.6498 21.80198 8.103321 25.66708 11.26979 -3.865097      13.88063 
1 1 1 -63 9  12 o 25.06838 6.466120 76.25520       54.50850 113.1971       58.79408 -149.7918      145.4364 29.00930 8.078394 21.12745 10.09863 7.881847       12.93224 
1 1 1 -63 9  13 o 35.76208 7.638058 165.6710       58.48793 157.1910       63.86590 209.7561       145.6187 34.03696 7.906700 37.48721 13.07072 -3.450253      15.27612 
1 1 1 -63 9  14 o 40.27960 6.714895 274.0633       57.65305 305.7270       63.58730 127.7811       136.6740 49.18475 5.343646 31.37445 12.32090 17.81030       13.42979 
1 1 1 -63 9  15 o 35.72638 7.740243 149.7350       56.66870 125.2836       61.39217 290.5414       147.3237 29.81068 8.238041 41.64208 13.10649 -11.83140      15.48049 
1 1 1 -63 9  16 o 43.60854 7.619202 255.6544       61.57746 236.4529       66.42976 372.8733       164.1320 42.20744 6.505361 45.00963 13.78003 -2.802197      15.23840 
1 1 1 -63 9  17 o 30.93475 8.010929 149.9420       65.10155 144.6304       70.03616 183.7002       176.5629 30.59316 8.916056 31.27635 13.31180 -0.6831856     16.02186 
1 1 1 -63 11 1  o 39.15615 6.496831 259.2426       55.67251 298.3455       61.37155 77.54908       132.2916 48.97660 5.179362 29.33570 11.91677 19.64089       12.99366 
1 1 1 -63 11 2  o 50.02159 6.671542 436.3338       56.86911 487.5053       62.49751 190.0060       137.1214 62.95980 4.102958 37.08337 12.69660 25.87643       13.34308 
1 1 1 -63 11 3  o 84.84270 4.189175 927.8173       66.87067 946.2391       74.64524 852.9447       150.4863 87.93095 3.508795 81.75445 7.608226 6.176506       8.378350 
1 1 1 -63 11 4  o 55.39600 6.197855 478.5700       57.36823 524.0247       63.96707 291.7311       129.6882 65.32369 4.047468 45.46830 11.71630 19.85539       12.39571 
1 1 1 -63 11 5  o 71.92717 4.614450 680.8380       60.48709 699.0582       67.07767 601.5467       139.9308 75.55238 3.669674 68.30196 8.467945 7.250427       9.228900 
1 1 1 -63 11 6  o 59.12669 5.134187 449.0548       56.15592 452.5088       62.23024 433.9084       130.3160 60.65675 4.240529 57.59663 9.351868 3.060116       10.26837 
1 1 1 -63 11 7  o 63.65908 5.395074 496.4397       72.36069 475.2585       83.20746 562.1654       146.5732 61.77148 5.567650 65.54668 9.242759 -3.775200      10.79015 
1 1 1 -63 11 8  o 51.62324 6.746831 333.5841       56.85770 324.7538       61.03479 391.5526       156.3818 51.19488 4.927750 52.05160 12.56170 -0.8567238     13.49366 
1 1 1 -63 11 9  o 60.79258 5.537803 432.1120       58.95239 413.1598       63.68857 545.5086       155.7869 57.80653 4.553888 63.77864 10.09610 -5.972107      11.07561 
1 1 1 -63 11 10 o 23.94860 7.193649 -39.15174      51.91584 -68.12875      55.55363 160.6187       145.8651 13.12775 6.265571 34.76946 12.95133 -21.64171      14.38730 
1 1 1 -63 11 11 o 52.61358 6.616759 348.1750       58.98672 335.7335       63.83068 420.9399       154.3667 51.83973 5.089375 53.38743 12.21574 -1.547695      13.23352 
1 1 1 -63 11 12 o 32.40611 7.609094 144.0745       58.38627 148.5817       62.87891 115.8715       157.2885 32.99921 7.966420 31.81300 12.96647 1.186205       15.21819 
1 1 1 -63 11 13 o 39.05760 6.652462 278.6509       60.12406 319.7520       65.17899 44.08091       155.7103 50.26044 5.360176 27.85476 12.17742 22.40567       13.30492 
1 1 1 -63 11 14 f 28.94186 7.732669 95.04945       56.76394 83.68539       61.30428 163.3551       150.2978 24.93172 8.489688 32.95200 12.92679 -8.020279      15.46534 
1 1 1 -63 11 15 o 25.76952 6.266637 97.33525       59.78584 151.0220       63.85215 -284.3546      170.2540 32.37968 8.155260 19.15936 9.517074 13.22033       12.53327 
1 1 1 -63 11 16 o 32.26406 7.358578 177.8355       60.09232 186.9843       64.18444 112.8733       171.0329 36.02309 7.603369 28.50503 12.60093 7.518055       14.71716 
1 1 1 -63 13 2  o 104.0260 3.931441 1294.391       75.77128 1259.715       83.23151 1462.225       183.1107 101.3364 3.394846 106.7155 7.092246 -5.379150      7.862883 
1 1 1 -63 13 3  o 30.10247 7.387391 110.2235       53.73853 108.6953       58.45699 118.5604       136.5321 28.46929 8.100361 31.73565 12.35631 -3.266359      14.77478 
1 1 1 -63 13 4  o 22.59348 6.876542 25.65734       52.22550 30.80584       56.41479 -5.196907      138.1053 19.73439 7.862803 25.45256 11.28378 -5.718168      13.75308 
1 1 1 -63 13 5  o 37.88199 7.045104 188.8051       53.96414 186.7790       58.89610 199.4051       134.7136 38.42493 6.335357 37.33904 12.58560 1.085892       14.09021 
1 1 1 -63 13 6  o 57.12960 7.630488 619.8395       63.48553 667.9305       67.43006 244.4973       188.3800 73.70303 3.781516 40.55616 14.78504 33.14687       15.26098 
1 1 1 -63 13 7  o 53.98231 6.418443 355.8697       58.82536 340.2117       63.63673 447.8287       154.2186 52.25591 5.033501 55.70871 11.80887 -3.452801      12.83689 
1 1 1 -63 13 8  o 21.96983 6.915469 7.478777       53.40287 9.052487       57.41191 -2.623439      145.4615 17.96291 7.616036 25.97675 11.54517 -8.013845      13.83094 
1 1 1 -63 13 9  o 35.94531 7.643126 172.0002       56.18269 170.0058       60.09406 185.8418       158.3156 35.75383 7.196254 36.13680 13.48642 -0.3829689     15.28625 
1 1 1 -63 13 10 f 40.99878 7.299390 154.4793       56.23428 111.0974       60.54667 426.8888       151.7214 28.53589 8.282455 53.46167 12.02187 -24.92577      14.59878 
1 1 1 -63 13 11 o 31.97455 7.917715 130.1541       59.39011 125.9519       63.74975 157.7632       163.4060 30.12683 8.419907 33.82227 13.41141 -3.695440      15.83543 
1 1 1 -63 13 12 o 29.21613 8.074886 42.49828       58.37336 11.61281       62.16802 272.5759       169.6786 18.46017 7.878978 39.97210 14.09741 -21.51193      16.14977 
1 1 1 -63 13 13 o 59.81898 7.298228 564.0045       66.57045 579.5723       71.76806 468.0547       178.1719 67.91201 4.367997 51.72594 13.92757 16.18607       14.59646 
1 1 1 -63 13 14 o 19.44750 6.245496 -1.549990      57.61357 33.11322       61.35778 -259.8453      167.4918 19.64874 8.063762 19.24627 9.539425 0.4024696      12.49099 
1 1 1 -63 13 15 o 36.18564 7.183966 242.0338       62.94949 257.9667       66.80978 115.9905       187.9112 43.69939 6.319204 28.67189 12.90369 15.02750       14.36793 
1 1 1 -63 15 5  o 28.79100 6.641468 123.1777       56.60748 156.0521       62.43416 -28.69720      134.1949 33.87249 7.782129 23.70950 10.76452 10.16299       13.28294 
1 1 1 -63 15 6  o 27.46074 7.478266 92.27217       65.76148 114.5265       72.01757 -19.38132      161.3121 28.88336 9.171844 26.03812 11.81419 2.845245       14.95653 
1 1 1 -63 15 7  o 40.21034 7.503201 241.9748       61.18651 249.1725       65.97691 197.7394       163.5613 44.13508 6.178823 36.28560 13.67532 7.849480       15.00640 
1 1 1 -63 15 8  o 87.76381 4.860043 1019.689       71.87778 1028.857       78.04625 968.4712       184.4685 91.32952 3.532145 84.19810 9.055607 7.131416       9.720085 
1 1 1 -63 15 9  o 37.22776 7.218823 234.0353       62.38341 256.9359       66.47105 64.83046       180.6824 44.68697 6.148218 29.76856 13.06312 14.91841       14.43765 
1 1 1 -63 15 10 o 26.26969 7.605240 72.21010       58.44461 74.79684       62.19308 52.67103       170.9300 24.05598 8.529401 28.48339 12.59397 -4.427418      15.21048 
1 1 1 -63 15 11 o 31.90089 7.767911 -6.102438      57.61300 -59.30525      60.97022 437.4777       176.0502 14.08959 6.678550 49.71218 14.02707 -35.62260      15.53582 
1 1 1 -63 15 12 o 66.09206 7.576105 757.0574       71.54946 794.5602       77.06113 522.6651       192.6528 79.57782 4.002589 52.60629 14.61399 26.97153       15.15221 
1 1 1 -63 15 13 o 23.49046 7.193252 53.60022       59.61241 60.90819       63.56570 0.2693635      171.7171 22.03524 8.471907 24.94568 11.62748 -2.910439      14.38650 
1 1 1 -63 15 14 o 18.39874 6.353346 -40.42977      59.24559 -28.69163      62.45296 -145.9845      187.2804 15.30259 7.091574 21.49489 10.54370 -6.192303      12.70669 
1 1 1 -63 17 9  o 25.83444 7.437218 61.94748       86.61258 147.8882       99.28257 -211.7787      177.1870 30.80449 10.78970 20.86440 10.23871 9.940096       14.87444 
1 1 1 -63 17 10 f 21.36485 7.205887 -55.29674      87.63321 -53.05175      99.92937 -62.77216      182.3492 18.67152 8.757129 24.05819 11.44604 -5.386675      14.41177 
1 1 1 -63 17 11 o 52.50992 8.628898 430.4189       95.48736 372.5164       109.4366 615.1100       195.4505 49.16450 9.544600 55.85533 14.37818 -6.690830      17.25780 
1 1 1 -63 17 12 o 38.33675 7.881271 250.2628       64.47164 245.3829       68.41264 288.9947       192.7371 42.06717 6.721880 34.60634 14.25742 7.460823       15.76254 
1 1 1 -62 0  1  o 28.50181 6.610183 127.2705       57.16164 127.2705       57.16164 127.2705       57.16164 28.50181 9.348210 28.50181 9.348210 0.000000       0.000000 
1 1 1 -62 0  2  o 150.3274 2.740923 2749.617       140.7665 2749.617       140.7665 2749.617       140.7665 150.3274 3.876251 150.3274 3.876251 0.000000       0.000000 
1 1 1 -62 0  3  o 49.05700 3.945647 304.3195       64.01434 304.3195       64.01434 304.3195       64.01434 49.05700 5.579987 49.05700 5.579987 0.000000       0.000000 
1 1 1 -62 0  4  o 205.6624 3.137058 5147.585       220.5151 5147.585       220.5151 5147.585       220.5151 205.6624 4.436471 205.6624 4.436471 0.000000       0.000000 
1 1 1 -62 0  5  f 35.58079 5.491315 174.9779       58.55782 174.9779       58.55782 174.9779       58.55782 35.58079 7.765892 35.58079 7.765892 0.000000       0.000000 
1 1 1 -62 0  6  o 36.16419 5.410074 179.5777       58.88743 179.5777       58.88743 179.5777       58.88743 36.16419 7.651000 36.16419 7.651000 0.000000       0.000000 
1 1 1 -62 0  7  o 99.21194 2.734329 1200.490       92.49774 1200.490       92.49774 1200.490       92.49774 99.21194 3.866925 99.21194 3.866925 0.000000       0.000000 
1 1 1 -62 0  8  o 17.41404 6.647153 53.51976       55.12927 53.51976       55.12927 53.51976       55.12927 17.41404 9.400494 17.41404 9.400494 0.000000       0.000000 
1 1 1 -62 0  9  o 27.12808 6.969990 120.4320       59.48304 120.4320       59.48304 120.4320       59.48304 27.12808 9.857054 27.12808 9.857054 0.000000       0.000000 
1 1 1 -62 0  10 o 12.39232 5.630050 2.588624       54.49361 2.588624       54.49361 2.588624       54.49361 12.39232 7.962092 12.39232 7.962092 0.000000       0.000000 
1 1 1 -62 0  11 o 28.82484 6.674357 130.5707       58.34343 130.5707       58.34343 130.5707       58.34343 28.82484 9.438967 28.82484 9.438967 0.000000       0.000000 
1 1 1 -62 0  12 o 51.03278 3.917427 329.4821       66.35831 329.4821       66.35831 329.4821       66.35831 51.03278 5.540078 51.03278 5.540078 0.000000       0.000000 
1 1 1 -62 0  13 o 9.040059 4.517943 -67.92238      56.80169 -67.92238      56.80169 -67.92238      56.80169 9.040059 6.389337 9.040059 6.389337 0.000000       0.000000 
1 1 1 -62 0  14 o 32.48766 6.913593 162.6553       66.99235 162.6553       66.99235 162.6553       66.99235 32.48766 9.777297 32.48766 9.777297 0.000000       0.000000 
1 1 1 -62 0  15 o 16.24742 6.795812 40.40950       65.10639 40.40950       65.10639 40.40950       65.10639 16.24742 9.610729 16.24742 9.610729 0.000000       0.000000 
1 1 1 -62 0  16 o 55.58908 4.320786 396.5521       79.64967 396.5521       79.64967 396.5521       79.64967 55.58908 6.110514 55.58908 6.110514 0.000000       0.000000 
1 1 1 -62 0  17 o 34.90467 8.024241 200.5744       84.79041 200.5744       84.79041 200.5744       84.79041 34.90467 11.34799 34.90467 11.34799 0.000000       0.000000 
1 1 1 -62 0  18 o 11.26137 5.589171 -74.17539      82.29034 -74.17539      82.29034 -74.17539      82.29034 11.26137 7.904281 11.26137 7.904281 0.000000       0.000000 
1 1 1 -62 0  19 o 24.79645 8.672942 133.3128       88.46848 133.3128       88.46848 133.3128       88.46848 24.79645 12.26539 24.79645 12.26539 0.000000       0.000000 
1 1 1 -62 2  1  o 96.86047 3.231253 1105.518       65.63623 1064.913       75.22860 1234.979       134.3267 93.53709 3.324274 100.1839 5.541947 -6.646767      6.462506 
1 1 1 -62 2  2  o 131.8069 3.169094 2182.774       88.75354 2252.816       104.1973 1997.620       169.4114 136.1107 3.164185 127.5030 5.491864 8.607658       6.338189 
1 1 1 -62 2  3  o 144.4992 3.180147 2621.131       97.69071 2704.050       114.7042 2402.142       186.4076 149.1352 3.179047 139.8632 5.508811 9.272018       6.360294 
1 1 1 -62 2  4  o 100.0623 3.111584 1209.562       64.59276 1197.411       74.08633 1248.067       131.8869 99.26254 3.084966 100.8620 5.404702 -1.599457      6.223167 
1 1 1 -62 2  5  o 56.46765 4.210453 405.3712       48.86599 418.2437       56.45687 366.9245       97.56999 58.57664 3.983731 54.35865 7.418998 4.217995       8.420905 
1 1 1 -62 2  6  o 74.04977 3.476051 686.4587       53.92521 702.8268       62.70499 639.9762       105.6688 76.00774 3.409903 72.09180 6.058407 3.915947       6.952103 
1 1 1 -62 2  7  o 92.22300 3.890244 1043.202       86.74159 1002.380       120.1208 1087.686       125.3912 90.34165 5.495760 94.10435 5.507506 -3.762695      7.780488 
1 1 1 -62 2  8  o 81.24170 3.536360 862.1600       58.43346 915.1725       67.78152 708.7448       115.3073 86.73753 3.229996 75.74586 6.292097 10.99167       7.072719 
1 1 1 -62 2  9  o 21.85206 5.326289 36.31808       38.58616 101.4565       58.17780 -14.84023      51.55808 28.09439 8.108589 15.60973 6.908560 12.48467       10.65258 
1 1 1 -62 2  10 o 20.45338 5.611264 34.37812       40.04802 46.92870       55.92622 21.16913       57.37443 21.60668 8.025172 19.30009 7.844854 2.306587       11.22253 
1 1 1 -62 2  11 o 23.41659 5.897936 61.44585       42.12985 57.44711       60.04117 65.32420       59.13049 23.03116 8.354478 23.80201 8.327382 -0.7708473     11.79587 
1 1 1 -62 2  12 o 25.21122 5.936829 77.93367       42.44009 84.59538       60.67717 71.55323       59.38246 25.98377 8.436299 24.43868 8.355393 1.545092       11.87366 
1 1 1 -62 2  13 o 41.67301 4.887415 226.1416       46.76462 289.3441       66.20164 163.1924       66.06889 48.22438 5.674136 35.12164 7.959364 13.10274       9.774830 
1 1 1 -62 2  14 o 49.06199 4.147081 301.5379       49.21335 300.7816       70.32081 302.2639       68.89739 48.98174 5.933998 49.14224 5.794894 -0.1605034     8.294162 
1 1 1 -62 2  15 o 31.81040 6.214920 138.3333       49.48252 146.5652       69.99400 130.1085       69.96371 32.74142 8.691178 30.87937 8.886189 1.862051       12.42984 
1 1 1 -62 2  16 o 16.14213 5.297841 -50.76989      49.92616 -29.70318      70.30286 -72.20421      70.91360 17.09302 7.772396 15.19124 7.201272 1.901785       10.59568 
1 1 1 -62 2  17 o 38.94835 6.055581 213.6555       55.64782 182.9313       77.72630 245.9654       79.70688 35.73209 8.996731 42.16460 8.107964 -6.432507      12.11116 
1 1 1 -62 2  18 o 21.87443 6.417239 38.25745       57.21025 69.90981       79.05248 3.449414       82.89957 23.96772 9.382700 19.78113 8.757212 4.186584       12.83448 
1 1 1 -62 2  19 o 34.73443 7.029690 196.9553       62.06828 185.0222       85.67030 210.1394       90.04890 33.65483 9.876276 35.81402 10.00626 -2.159191      14.05938 
1 1 1 -62 4  1  o 48.90807 4.860429 307.1816       48.73899 314.1238       57.03970 288.3998       93.82037 50.63466 4.656151 47.18147 8.533190 3.453186       9.720858 
1 1 1 -62 4  2  o 39.72055 5.828551 202.6134       47.02767 203.6702       53.54599 199.0482       98.34906 40.69901 5.438021 38.74210 10.31096 1.956905       11.65710 
1 1 1 -62 4  3  o 27.49141 6.423321 88.10466       44.59881 85.69516       51.08737 95.82392       91.44038 25.96727 7.628482 29.01556 10.33646 -3.048292      12.84664 
1 1 1 -62 4  4  o 70.62366 3.780253 656.4619       54.54606 702.8501       63.58375 527.1862       106.1454 75.98998 3.458498 65.25733 6.723098 10.73265       7.560506 
1 1 1 -62 4  5  o 46.52866 5.478482 320.7481       47.34939 359.9361       54.39013 198.0964       96.22333 54.30929 4.139460 38.74803 10.14495 15.56126       10.95696 
1 1 1 -62 4  6  o 51.71216 4.504515 327.2060       47.27187 324.5959       53.75617 336.1095       99.28381 51.55182 4.310047 51.87250 7.911139 -0.3206825     9.009030 
1 1 1 -62 4  7  o 82.67154 3.846863 861.8857       72.52148 912.9876       90.38715 769.5419       121.5043 86.44110 4.321993 78.90197 6.365045 7.539131       7.693727 
1 1 1 -62 4  8  o 134.3045 3.221057 2300.757       90.87992 2407.292       106.5052 2015.467       174.2880 140.6774 3.129277 127.9315 5.631027 12.74590       6.442114 
1 1 1 -62 4  9  o 31.00874 6.393026 86.07047       45.57538 51.15172       51.28369 217.2516       99.39984 21.64494 7.737708 40.37254 10.17895 -18.72760      12.78605 
1 1 1 -62 4  10 o 48.10290 5.295085 273.1789       48.18033 259.3433       53.54215 332.0642       110.4590 45.95371 4.815850 50.25208 9.431823 -4.298370      10.59017 
1 1 1 -62 4  11 o 43.77321 6.032221 232.3593       50.18190 222.1812       55.65332 276.6211       116.0574 42.40686 5.424412 45.13955 10.77620 -2.732693      12.06444 
1 1 1 -62 4  12 o 35.29610 6.655445 166.8901       50.00448 172.5714       55.06170 140.1547       119.4459 37.20705 6.116769 33.38515 11.82222 3.821896       13.31089 
1 1 1 -62 4  13 o 47.43549 4.234890 281.7262       48.48399 274.4979       70.47158 288.2224       66.80841 46.79518 6.224588 48.07580 5.743840 -1.280617      8.469781 
1 1 1 -62 4  14 o 26.32953 6.119837 88.92407       45.03765 92.84125       65.80196 85.47174       61.77438 26.80982 8.789300 25.84924 8.518087 0.9605789      12.23967 
1 1 1 -62 4  15 o 39.57954 5.346417 216.3576       49.50438 324.2463       70.03929 108.6507       69.98029 50.72591 5.707023 28.43319 9.042489 22.29272       10.69283 
1 1 1 -62 4  16 o 19.74216 5.887757 5.022822       51.07340 -46.85185      73.25794 54.08128       71.24165 16.58514 7.684044 22.89919 8.922904 -6.314049      11.77551 
1 1 1 -62 4  17 o 24.23658 6.273233 61.07792       53.89946 127.2889       74.75568 -10.60838      77.78525 29.70874 9.333919 18.76442 8.384020 10.94432       12.54647 
1 1 1 -62 4  18 o 32.18113 6.730824 161.4252       59.71727 213.5737       80.86715 98.87950       88.56242 37.87825 8.963861 26.48400 10.04316 11.39425       13.46165 
1 1 1 -62 4  19 o 27.26922 7.624507 117.7331       71.13243 108.4811       86.07867 137.6562       126.3152 26.23460 9.912697 28.30384 11.58753 -2.069239      15.24901 
1 1 1 -62 6  1  o 72.19106 4.083341 638.5367       57.88161 634.6393       65.01971 653.4206       127.0621 72.10876 3.726960 72.27337 7.266668 -0.1646118     8.166682 
1 1 1 -62 6  2  o 128.3884 3.326647 2035.376       86.22610 2047.590       98.14545 1994.051       180.5244 129.7161 3.127333 127.0608 5.872488 2.655312       6.653294 
1 1 1 -62 6  3  o 60.93263 4.160600 388.7656       50.25220 344.6641       55.50672 589.1731       118.3247 53.08820 4.321607 68.77706 7.110982 -15.68887      8.321199 
1 1 1 -62 6  4  o 40.05807 6.120343 233.7423       48.73362 255.1235       54.77427 152.5283       106.7522 45.60355 4.964501 34.51259 11.18875 11.09096       12.24069 
1 1 1 -62 6  5  o 110.8249 3.298182 1595.907       75.18350 1692.713       87.60963 1325.402       146.4497 117.9764 3.069407 103.6735 5.838730 14.30289       6.596365 
1 1 1 -62 6  6  o 89.50451 3.400619 935.4552       61.18667 900.4689       68.81257 1067.579       133.7238 86.00723 3.306972 93.00179 5.943129 -6.994568      6.801238 
1 1 1 -62 6  7  o 27.51768 6.733065 77.31584       48.91571 61.39962       56.46838 125.1636       97.90753 23.24239 8.137424 31.79298 10.72935 -8.550596      13.46613 
1 1 1 -62 6  8  o 55.98106 5.350882 419.2710       53.53280 433.3000       59.74768 362.1654       120.5444 59.53166 4.148306 52.43046 9.865054 7.101200       10.70176 
1 1 1 -62 6  9  o 75.33086 3.864578 655.3306       57.01678 625.9907       63.42350 778.9411       130.1814 71.61955 3.660297 79.04217 6.807503 -7.422615      7.729157 
1 1 1 -62 6  10 o 28.23377 6.097900 115.3568       48.15990 146.9751       52.97993 -35.07436      115.5609 33.76408 6.721953 22.70346 10.17610 11.06062       12.19580 
1 1 1 -62 6  11 o 78.83317 4.037133 755.9417       60.78341 746.3898       67.55508 796.5497       139.2889 78.15559 3.572693 79.51074 7.240831 -1.355148      8.074266 
1 1 1 -62 6  12 o 22.63374 6.541869 39.82697       49.96872 54.53305       55.03500 -29.19691      119.2312 22.15494 8.004423 23.11254 10.34956 -0.9575977     13.08374 
1 1 1 -62 6  13 o 88.84682 3.727995 930.4514       65.15424 895.1349       72.72262 1074.123       146.6781 85.48221 3.516345 92.21143 6.574731 -6.729225      7.455989 
1 1 1 -62 6  14 o 59.91262 5.035667 461.0522       57.94539 461.8416       64.88254 457.9417       128.7975 61.09436 4.389595 58.73088 9.064393 2.363480       10.07133 
1 1 1 -62 6  15 o 26.79242 7.187643 67.65833       52.49522 52.40208       58.19265 134.3248       121.6461 21.83584 8.171150 31.74899 11.82714 -9.913155      14.37529 
1 1 1 -62 6  16 o 59.71732 3.914665 451.2711       56.15270 530.6987       82.38043 382.3427       76.74277 64.74339 5.259280 54.69123 5.799860 10.05216       7.829329 
1 1 1 -62 6  17 o 35.92923 5.826517 186.1455       55.86169 300.7676       78.99319 71.48170       79.00755 47.56143 6.864872 24.29703 9.416301 23.26440       11.65303 
1 1 1 -62 6  18 o 23.84952 6.413965 45.82301       58.02647 -37.37151      77.48347 152.0660       87.56121 16.90326 7.855980 30.79578 10.14097 -13.89252      12.82793 
1 1 1 -62 8  1  o 73.83025 4.241778 723.5997       58.94571 756.1132       66.25986 600.2380       129.0651 78.71244 3.479404 68.94804 7.737213 9.764397       8.483556 
1 1 1 -62 8  2  o 37.86055 5.931405 255.6124       50.52723 307.6812       55.76784 16.97799       119.3882 50.06808 4.603844 25.65302 10.93302 24.41506       11.86281 
1 1 1 -62 8  3  o 71.10242 4.437033 717.7653       58.33682 785.9905       66.31303 484.2356       122.6867 80.29745 3.413460 61.90740 8.191296 18.39005       8.874065 
1 1 1 -62 8  4  o 88.76727 3.917281 1055.078       65.75317 1115.063       74.25212 837.1208       141.5373 95.69095 3.207271 81.84359 7.147991 13.84736       7.834562 
1 1 1 -62 8  5  o 98.89388 3.705817 1278.737       71.14908 1336.815       80.72666 1076.621       150.5962 104.7814 3.184421 93.00635 6.692665 11.77507       7.411633 
1 1 1 -62 8  6  o 78.80762 4.159810 794.1821       70.63900 829.5881       83.97606 708.5068       130.6303 82.33668 4.215605 75.27855 7.172500 7.058128       8.319620 
1 1 1 -62 8  7  o 17.86621 5.872846 -40.28754      48.45819 -35.59620      54.00276 -59.67876      109.7919 14.65949 6.721150 21.07293 9.632622 -6.413432      11.74569 
1 1 1 -62 8  8  o 71.27113 4.429381 620.4934       58.51276 614.4270       64.50656 648.6614       139.0005 70.91720 3.759673 71.62508 8.021380 -0.7078781     8.858763 
1 1 1 -62 8  9  o 60.77426 4.852748 449.9852       54.25847 443.2227       59.64228 482.4509       130.6814 60.15292 4.098220 61.39561 8.797799 -1.242695      9.705497 
1 1 1 -62 8  10 o 25.32073 6.946425 55.47435       48.00034 51.20277       52.39391 77.78703       119.7464 21.61605 7.809957 29.02540 11.48982 -7.409351      13.89285 
1 1 1 -62 8  11 o 35.77714 6.696134 92.64539       52.39457 39.46647       57.49031 353.3611       127.2942 20.82551 8.043097 50.72878 10.70801 -29.90327      13.39227 
1 1 1 -62 8  12 o 57.06356 6.383081 505.0878       58.81879 543.4355       64.82223 326.3534       139.9455 66.47916 4.030288 47.64796 12.11329 18.83120       12.76616 
1 1 1 -62 8  13 o 29.24083 7.410909 81.41349       53.46441 61.81439       58.77024 175.4908       128.7602 23.03151 8.277967 35.45015 12.29478 -12.41865      14.82182 
1 1 1 -62 8  14 o 24.87367 7.068473 41.38156       53.13577 24.50968       59.07955 112.8019       121.5532 19.36653 7.926192 30.38081 11.70593 -11.01428      14.13695 
1 1 1 -62 8  15 o 41.67665 7.089376 230.5918       55.70353 222.5719       60.52945 274.9554       142.3622 41.72439 5.996177 41.62891 12.84846 0.9548187E-01  14.17875 
1 1 1 -62 8  16 o 29.12824 6.978433 129.6614       59.32273 154.0442       65.45283 17.47769       140.3949 33.00347 8.226346 25.25302 11.27481 7.750450       13.95687 
1 1 1 -62 8  17 o 22.81541 7.143595 12.99435       61.19454 -6.673139      67.80537 99.35752       142.0869 17.53763 7.832396 28.09319 11.94895 -10.55556      14.28719 
1 1 1 -62 8  18 o 28.59555 7.426046 142.6829       75.87754 188.0353       87.68927 7.532422       151.3754 33.63258 10.02362 23.55852 10.95955 10.07405       14.85209 
1 1 1 -62 10 1  o 30.28197 7.061487 108.5942       49.84581 104.6730       54.82051 127.3052       119.7525 28.22868 7.778001 32.33527 11.78818 -4.106590      14.12297 
1 1 1 -62 10 2  o 23.36510 6.812289 35.14648       47.00077 34.42686       50.76626 39.46461       124.3579 19.64050 7.565748 27.08970 11.33087 -7.449209      13.62458 
1 1 1 -62 10 3  o 36.04787 6.830440 174.2136       51.46581 180.0271       56.21159 144.0809       127.9760 38.02839 6.109640 34.06735 12.21851 3.961040       13.66088 
1 1 1 -62 10 4  o 50.06169 5.767193 336.4534       52.91424 345.5019       59.26514 300.8923       117.4892 53.01375 4.620708 47.10963 10.56840 5.904118       11.53439 
1 1 1 -62 10 5  f 39.34883 6.488204 241.7583       51.30018 266.8651       56.28801 118.6318       124.6513 46.53062 5.000055 32.16705 11.97441 14.36357       12.97641 
1 1 1 -62 10 6  o 107.5266 3.474317 1458.268       74.43388 1485.942       84.60419 1363.474       156.5832 110.4085 3.167283 104.6446 6.184806 5.763985       6.948633 
1 1 1 -62 10 7  o 30.43495 7.570497 106.8379       62.43593 99.66179       72.09074 128.3760       124.8930 28.07747 9.199470 32.79243 12.02578 -4.714958      15.14099 
1 1 1 -62 10 8  o 63.78163 5.026875 505.6860       57.37148 502.2976       62.76361 522.9030       141.4780 64.00479 4.053154 63.55847 9.200536 0.4463196      10.05375 
1 1 1 -62 10 9  o 73.49696 4.671507 711.3204       61.92180 730.0535       68.47371 627.2457       145.0616 77.22838 3.664752 69.76553 8.594272 7.462845       9.343015 
1 1 1 -62 10 10 o 56.59937 6.267072 455.4715       57.66196 471.5631       62.97040 371.9215       143.4863 61.91202 4.203965 51.28671 11.80811 10.62531       12.53414 
1 1 1 -62 10 11 o 43.83115 7.251484 246.4735       56.76673 240.3447       61.09509 285.1874       153.5508 43.80796 5.764358 43.85432 13.30820 -0.4636002E-01 14.50297 
1 1 1 -62 10 12 o 43.16775 7.315563 233.4660       57.78370 222.8518       62.36046 297.9179       153.6682 41.99169 6.138236 44.34381 13.28126 -2.352119      14.63113 
1 1 1 -62 10 13 o 28.44383 7.627191 88.07912       59.36604 81.15668       65.43581 120.2855       141.1422 25.29086 8.765084 31.59680 12.48477 -6.305943      15.25438 
1 1 1 -62 10 14 o 95.07518 4.103345 1134.403       73.06460 1124.708       80.92604 1177.156       169.9406 95.50905 3.502204 94.64131 7.421881 0.8677368      8.206690 
1 1 1 -62 10 15 o 32.43343 8.006915 96.82114       57.19282 66.21162       61.35812 299.5836       157.9202 23.09094 8.434978 41.77592 13.61227 -18.68498      16.01383 
1 1 1 -62 10 16 o 34.62025 7.449845 194.3907       60.68928 202.1502       65.52169 147.5312       161.0150 38.10448 7.373897 31.13602 12.94706 6.968466       14.89969 
1 1 1 -62 10 17 o 27.37048 7.827581 97.57425       60.20965 90.15862       64.04692 153.9560       176.6011 24.77504 8.666728 29.96591 13.03733 -5.190870      15.65516 
1 1 1 -62 12 1  o 27.45514 6.042143 108.9627       54.40232 159.9042       59.10907 -173.2302      139.1206 34.83561 7.249311 20.07466 9.668374 14.76094       12.08429 
1 1 1 -62 12 2  o 34.86316 6.902019 176.8060       54.34296 192.2857       58.97047 89.62521       139.9468 39.12186 6.230355 30.60445 12.31804 8.517412       13.80404 
1 1 1 -62 12 3  o 60.36910 5.810494 507.2856       59.75831 526.3806       66.08602 421.6537       139.9484 65.42352 4.175162 55.31468 10.84506 10.10884       11.62099 
1 1 1 -62 12 4  o 26.05700 6.521840 86.19792       52.16933 115.5254       56.49548 -83.59310      135.9357 29.54402 7.792006 22.56997 10.46051 6.974052       13.04368 
1 1 1 -62 12 5  o 67.82775 4.682305 545.5883       59.57938 526.7205       65.57394 634.8602       142.6353 65.46869 4.139953 70.18681 8.399805 -4.718124      9.364611 
1 1 1 -62 12 6  o 45.45822 6.977384 290.1768       54.95028 296.2544       59.30591 253.3016       146.0838 48.91512 5.011325 42.00132 13.02391 6.913807       13.95477 
1 1 1 -62 12 7  o 32.43559 7.836613 109.6487       61.99648 85.26974       69.16680 209.2802       139.8263 26.26404 9.016659 38.60713 12.81990 -12.34309      15.67323 
1 1 1 -62 12 8  o 80.73756 4.478677 747.0576       62.40620 717.4858       67.19411 932.6592       168.3384 76.50550 3.630247 84.96962 8.188742 -8.464119      8.957354 
1 1 1 -62 12 9  o 32.50571 7.986488 96.63329       55.24582 77.22182       58.96655 236.0500       158.0280 24.80527 8.326831 40.20614 13.63084 -15.40087      15.97298 
1 1 1 -62 12 10 o 66.56949 5.262734 588.6238       62.14779 598.6882       68.36895 540.7496       149.1131 69.68401 4.055305 63.45497 9.712878 6.229038       10.52547 
1 1 1 -62 12 11 o 39.55398 7.416226 210.0694       59.34994 206.9954       64.65401 226.5318       149.6214 40.24282 6.640560 38.86514 13.26290 1.377686       14.83245 
1 1 1 -62 12 12 o 56.99400 7.317200 624.3851       67.15127 695.9050       73.10349 238.0726       169.9003 74.97800 4.029971 39.01001 14.06858 35.96800       14.63440 
1 1 1 -62 12 13 o 46.01354 7.614202 343.9142       64.70274 359.0503       69.63625 248.3046       175.0166 53.21487 5.408790 38.81222 14.23549 14.40265       15.22840 
1 1 1 -62 12 14 o 29.32057 8.071264 84.13837       58.65043 66.81023       62.62334 207.8525       167.3284 23.17087 8.512787 35.47028 13.71546 -12.29941      16.14253 
1 1 1 -62 12 15 o 49.13337 7.825581 358.7568       66.08328 349.8854       70.87991 417.7275       182.7448 51.88224 5.646797 46.38450 14.59700 5.497738       15.65116 
1 1 1 -62 12 16 o 21.01296 7.145451 -44.62506      58.55544 -62.20042      61.90374 104.7829       180.4893 13.81470 6.599128 28.21123 12.67602 -14.39653      14.29090 
1 1 1 -62 14 2  o 35.33881 7.346590 161.1318       54.49089 155.1109       59.38375 193.2183       137.0871 34.08403 7.412484 36.59360 12.68640 -2.509563      14.69318 
1 1 1 -62 14 3  o 32.82924 6.551096 167.8864       55.28726 197.0651       60.29451 13.77751       138.5666 39.42851 6.320700 26.22998 11.47677 13.19853       13.10219 
1 1 1 -62 14 4  o 45.00836 7.180554 312.7664       57.48549 327.8366       61.92920 218.9173       154.5438 51.31508 4.988249 38.70164 13.46695 12.61344       14.36111 
1 1 1 -62 14 5  o 45.13093 6.887899 336.2230       57.33150 365.9498       62.55677 180.2498       143.2930 54.28755 4.762904 35.97431 12.92623 18.31324       13.77580 
1 1 1 -62 14 6  o 32.80230 7.612759 143.9789       59.25056 143.9789       59.25056 0.000000       0.000000 32.80230 7.612759 ?        ?        ?              ?        
1 1 1 -62 14 7  o 38.38966 7.711782 194.2018       59.30548 189.2266       63.98830 224.5092       157.9322 37.82850 7.255602 38.95082 13.61038 -1.122318      15.42356 
1 1 1 -62 14 8  o 33.52646 7.810625 120.0859       54.63137 102.9611       58.62538 233.0756       150.5884 27.68192 8.183228 39.37100 13.30632 -11.68909      15.62125 
1 1 1 -62 14 9  o 27.03152 7.188844 90.08981       56.49918 105.1331       60.91331 -2.565140      151.1733 27.87994 8.364503 26.18310 11.69414 1.696844       14.37769 
1 1 1 -62 14 10 o 38.97209 8.023117 166.7009       59.26666 141.5134       63.44893 339.0839       165.9889 32.08797 8.155661 45.85620 13.81907 -13.76823      16.04623 
1 1 1 -62 14 11 o 38.79741 7.382107 240.5182       59.86303 254.1790       63.83457 140.8685       172.4069 44.59542 5.916480 32.99939 13.52691 11.59602       14.76421 
1 1 1 -62 14 12 o 36.60817 6.199106 263.8227       62.61692 320.0723       66.84393 -139.2029      178.9239 50.06396 5.518670 23.15239 11.10225 26.91157       12.39821 
1 1 1 -62 14 13 o 29.97458 7.410447 133.7134       58.37598 142.3134       62.69680 77.69185       160.0198 31.56947 8.152111 28.37969 12.37748 3.189787       14.82089 
1 1 1 -62 14 14 o 42.05214 7.918453 222.6662       60.08382 194.7953       64.17031 420.8210       171.1044 37.20601 7.389384 46.89826 14.00731 -9.692253      15.83691 
1 1 1 -62 14 15 o 24.14487 6.821869 81.39879       61.56879 111.0264       65.77770 -128.1380      174.9286 26.87187 8.786615 21.41788 10.43777 5.453993       13.64374 
1 1 1 -62 16 5  o 21.50727 6.950396 -31.02671      77.75141 -2.217727      93.01186 -97.85843      141.6660 21.13384 9.319959 21.88070 10.31360 -0.7468586     13.90079 
1 1 1 -62 16 6  o 23.52879 7.386557 -29.96281      56.13511 -53.78785      60.00005 137.2992       158.9767 14.37200 6.754999 32.68559 13.13830 -18.31359      14.77311 
1 1 1 -62 16 7  o 32.72401 6.626316 178.4611       59.65177 213.2473       63.66896 -71.39797      170.6366 40.66413 6.471633 24.78390 11.56504 15.88024       13.25263 
1 1 1 -62 16 8  o 26.22962 7.366261 79.66484       55.59407 90.89937       58.50600 -24.84236      178.4416 25.90133 8.271255 26.55790 12.19154 -0.6565742     14.73252 
1 1 1 -62 16 9  o 20.01461 6.875890 -64.46684      58.42230 -68.87313      61.88820 -28.39976      177.0626 13.90515 6.630109 26.12406 12.04795 -12.21891      13.75178 
1 1 1 -62 16 10 o 42.29956 7.499213 306.9378       64.01487 324.6461       68.52293 185.4848       179.4535 50.28315 5.632628 34.31598 13.90059 15.96717       14.99843 
1 1 1 -62 16 11 o 24.68877 7.696131 35.49783       59.32229 27.82450       62.79029 99.26234       181.0049 19.51579 8.097587 29.86176 13.09010 -10.34597      15.39226 
1 1 1 -62 16 12 o 34.15180 8.398259 143.5375       61.06982 120.0928       65.01982 319.0958       177.9239 28.50031 8.662458 39.80330 14.39044 -11.30299      16.79652 
1 1 1 -62 16 13 o 26.94454 7.984930 81.32268       61.40846 69.10863       65.10201 179.8929       184.9429 22.73283 8.613164 31.15625 13.44804 -8.423422      15.96986 
1 1 1 -62 18 10 o 59.77442 7.894676 498.6743       98.49514 400.3569       112.9566 810.5889       201.1938 51.28136 9.452643 68.26749 12.64718 -16.98613      15.78935 
1 1 1 -62 18 11 o 23.44366 7.524218 33.04336       89.04949 67.78108       99.96547 -100.4640      195.9756 23.90021 10.08684 22.98712 11.16741 0.9130840      15.04844 
1 1 1 -61 1  1  o 25.59359 6.240316 63.58905       42.96526 45.62226       50.20735 112.7424       83.04406 20.98253 7.635391 30.20464 9.872536 -9.222111      12.48063 
1 1 1 -61 1  2  o 91.11265 3.331541 1015.923       62.33600 1017.322       71.37072 1011.422       128.0045 91.48813 3.224430 90.73717 5.830927 0.7509613      6.663082 
1 1 1 -61 1  3  o 36.01504 5.805080 166.2602       43.92022 168.8895       50.09618 157.5253       91.30933 37.11569 5.578850 34.91438 10.18196 2.201309       11.61016 
1 1 1 -61 1  4  o 35.99942 5.685830 147.4970       42.85956 127.7343       49.00702 211.7787       88.38512 31.63769 6.615348 40.36115 9.249421 -8.723452      11.37166 
1 1 1 -61 1  5  o 34.52388 5.391728 169.3305       39.20427 188.5471       44.96767 108.4473       80.04071 39.29660 4.729803 29.75115 9.690816 9.545450       10.78346 
1 1 1 -61 1  6  o 88.37332 2.676693 947.6771       57.13208 999.2616       83.84728 902.9713       78.05701 90.60584 3.824991 86.14080 3.745422 4.465042       5.353386 
1 1 1 -61 1  7  f 72.38614 3.803709 683.5412       61.88262 504.1047       99.81287 795.5790       78.87029 63.96644 6.449589 80.80583 4.034302 -16.83939      7.607417 
1 1 1 -61 1  8  o 31.95214 4.983828 131.5812       39.40817 70.24010       55.76283 192.7849       55.70036 24.29833 8.097159 39.60595 5.812931 -15.30762      9.967655 
1 1 1 -61 1  9  o 42.55222 3.955333 222.6241       40.65036 221.0252       59.11593 224.0583       55.98811 42.38644 5.764681 42.71801 5.417295 -0.3315697     7.910666 
1 1 1 -61 1  10 o 40.52776 4.551078 207.0128       42.67638 262.4116       61.85141 156.6735       58.95944 46.17894 5.536093 34.87657 7.225020 11.30237       9.102156 
1 1 1 -61 1  11 o 33.79928 5.264528 148.6377       41.89531 136.4869       60.30643 159.9720       58.24516 32.36225 7.795028 35.23632 7.078034 -2.874069      10.52906 
1 1 1 -61 1  12 o 70.16463 3.124019 604.1646       52.98512 585.7448       75.71395 621.8429       74.17431 69.09156 4.529483 71.23771 4.303693 -2.146149      6.248039 
1 1 1 -61 1  13 o 45.44291 4.102563 258.1239       44.52651 306.9691       63.34940 210.4315       62.59732 49.82611 5.255127 41.05970 6.301408 8.766415       8.205127 
1 1 1 -61 1  14 o 33.12112 5.644013 145.4088       44.84077 166.6216       64.60763 125.6938       62.28500 35.51231 7.738424 30.72993 8.218049 4.782372       11.28803 
1 1 1 -61 1  15 o 25.22903 6.120226 77.59505       46.04201 101.8985       64.82306 52.85154       65.40733 27.77182 8.686273 22.68623 8.624229 5.085585       12.24045 
1 1 1 -61 1  16 o 21.56804 5.871113 25.85977       48.77422 94.10161       69.11327 -41.84709      68.84184 26.80678 9.014750 16.32930 7.524236 10.47747       11.74223 
1 1 1 -61 1  17 o 16.07194 5.331357 -60.22158      52.45251 -68.88311      73.70553 -51.33384      74.66182 15.63091 7.389518 16.51296 7.686903 -0.8820562     10.66271 
1 1 1 -61 1  18 o 28.92514 6.699319 118.8008       57.36711 65.15447       81.95298 170.3434       80.33006 23.98314 9.501638 33.86715 9.446818 -9.884007      13.39864 
1 1 1 -61 1  19 o 26.15229 6.918508 100.1144       59.26244 113.5104       83.23331 86.34082       84.39832 27.28564 9.845930 25.01894 9.722173 2.266701       13.83702 
1 1 1 -61 3  1  o 110.4184 3.275020 1546.807       74.31012 1601.647       85.89902 1383.700       148.1397 114.7857 3.093130 106.0511 5.773695 8.734566       6.550039 
1 1 1 -61 3  2  o 107.8344 3.163218 1411.925       70.66466 1404.282       81.08945 1436.050       144.0664 107.4940 3.118012 108.1748 5.504707 -0.6808090     6.326436 
1 1 1 -61 3  3  o 46.07420 5.298588 277.1561       47.65221 285.5077       54.53873 250.2082       97.96748 48.34338 4.663003 43.80503 9.516119 4.538342       10.59718 
1 1 1 -61 3  4  o 82.92822 3.578647 912.1360       59.64551 981.2650       69.15044 711.2433       117.8819 89.86472 3.180559 75.99174 6.411778 13.87298       7.157294 
1 1 1 -61 3  5  f 74.31985 3.533502 672.3011       54.56244 669.2696       62.71751 681.7371       110.6514 74.18283 3.494485 74.45688 6.142565 -0.2740479     7.067003 
1 1 1 -61 3  6  o 134.3579 3.085536 2253.793       87.85370 2312.830       102.8091 2093.992       169.1450 137.9803 3.079727 130.7355 5.347655 7.244843       6.171072 
1 1 1 -61 3  7  o 15.36240 5.190008 -83.34544      49.09078 -78.79132      58.93095 -93.67043      88.73327 13.43284 6.422830 17.29196 8.154263 -3.859120      10.38002 
1 1 1 -61 3  8  o 45.74268 5.550174 298.3946       46.77660 322.8338       52.95823 211.6597       99.76704 51.43049 4.256087 40.05486 10.25200 11.37564       11.10035 
1 1 1 -61 3  9  o 21.41328 5.998736 37.65598       42.83905 52.71629       48.22967 -18.64367      93.25029 21.60828 7.522931 21.21828 9.345846 0.3899994      11.99747 
1 1 1 -61 3  10 o 43.15597 5.081809 215.5984       44.42035 197.9085       50.39492 277.2159       94.05375 40.13335 5.190140 46.17860 8.738510 -6.045250      10.16362 
1 1 1 -61 3  11 o 38.03815 5.997674 225.4296       46.64471 254.9200       52.13636 107.1505       104.4130 45.57814 4.728047 30.49816 11.02424 15.07999       11.99535 
1 1 1 -61 3  12 o 68.61874 3.203588 577.6948       53.16492 591.8161       76.45212 564.4713       73.98183 69.42554 4.551641 67.81194 4.509377 1.613594       6.407177 
1 1 1 -61 3  13 o 30.32968 5.585432 118.7028       43.53872 175.6996       63.19414 67.20108       60.07065 36.70407 7.372376 23.95528 8.392631 12.74879       11.17086 
1 1 1 -61 3  14 o 35.20001 5.558650 164.6803       46.21476 147.0038       65.39757 182.3136       65.31760 33.17095 8.196416 37.22907 7.510866 -4.058121      11.11730 
1 1 1 -61 3  15 o 40.23812 5.408744 214.6978       50.72119 217.0835       71.15778 212.2337       72.31747 40.51933 7.536049 39.95691 7.760541 0.5624161      10.81749 
1 1 1 -61 3  16 o 30.43023 6.527312 127.2976       52.27600 114.8822       71.84895 141.2628       76.20178 29.01785 9.155421 31.84261 9.305991 -2.824762      13.05462 
1 1 1 -61 3  17 o 29.49301 6.570260 122.3799       52.48377 110.0705       73.17052 135.4241       75.32278 28.15964 9.270132 30.82639 9.313320 -2.666756      13.14052 
1 1 1 -61 3  18 o 28.73357 6.782128 121.2102       55.51009 130.6985       76.94833 110.9144       80.15614 29.71650 9.485324 27.75064 9.696271 1.965862       13.56426 
1 1 1 -61 3  19 o 28.31609 7.052955 124.6944       60.13201 103.0260       81.18217 151.0332       89.50469 26.20736 9.681776 30.42482 10.25865 -4.217461      14.10591 
1 1 1 -61 5  1  o 36.34842 5.882660 187.7070       45.02646 205.7531       51.12215 125.2826       95.08111 40.93985 5.161317 31.75699 10.57277 9.182856       11.76532 
1 1 1 -61 5  2  o 24.98768 5.091718 79.97900       44.55671 144.4558       50.64495 -140.8685      93.73045 33.66049 6.453744 16.31487 7.877282 17.34562       10.18344 
1 1 1 -61 5  3  o 71.55084 3.617220 593.8492       54.20795 562.9166       61.89760 695.6573       112.2941 67.97716 3.763644 75.12452 6.178357 -7.147362      7.234439 
1 1 1 -61 5  4  o 102.8007 3.207934 1286.756       67.03532 1283.059       76.32927 1299.227       140.1760 102.7538 3.070370 102.8476 5.633487 -0.9375763E-01 6.415867 
1 1 1 -61 5  5  o 60.89625 3.918034 396.2824       49.15938 350.3583       55.12933 574.5390       108.6139 53.58413 4.252499 68.20837 6.581809 -14.62424      7.836068 
1 1 1 -61 5  6  o 43.53790 5.429206 261.8290       46.00420 281.5305       52.90218 200.7139       93.17464 47.99899 4.555533 39.07682 9.856584 8.922173       10.85841 
1 1 1 -61 5  7  o 82.92731 3.568161 831.5748       59.70841 822.6635       67.66115 862.9387       126.9357 82.22504 3.401206 83.62958 6.273667 -1.404541      7.136323 
1 1 1 -61 5  8  o 19.23011 5.776040 9.781165       44.34297 31.88164       50.25564 -67.91196      94.22698 19.46727 7.519596 18.99294 8.769619 0.4743271      11.55208 
1 1 1 -61 5  9  o 58.01421 4.428274 439.5601       50.04556 457.8235       56.80266 376.2047       105.7963 61.26032 3.832544 54.76811 7.984362 6.492210       8.856547 
1 1 1 -61 5  10 o 99.55878 3.439050 1305.203       68.55502 1387.555       79.06735 1055.800       137.5976 106.7866 3.060399 92.33092 6.159727 14.45573       6.878101 
1 1 1 -61 5  11 o 100.0713 3.623596 1287.324       70.55697 1328.162       79.79712 1140.988       151.0533 104.4227 3.158565 95.71992 6.522672 8.702820       7.247191 
1 1 1 -61 5  12 o 126.9792 3.395638 2051.017       87.22384 2110.132       100.0113 1863.177       178.2782 131.5694 3.141897 122.3891 6.020789 9.180321       6.791275 
1 1 1 -61 5  13 o 44.16018 6.119589 235.0298       52.33889 220.5587       58.29568 295.1815       118.8528 42.08666 5.725186 46.23370 10.81757 -4.147041      12.23918 
1 1 1 -61 5  14 o 28.00842 7.079137 89.38596       51.21445 86.11899       56.77635 103.6526       118.6466 25.79289 8.138718 30.22395 11.58525 -4.431053      14.15827 
1 1 1 -61 5  15 o 47.74002 4.438015 289.4443       50.50276 354.2913       73.02824 230.0054       69.91670 53.07131 5.687596 42.40873 6.814334 10.66259       8.876029 
1 1 1 -61 5  16 o 40.13866 5.551037 217.4983       51.77193 225.3158       77.23519 211.1196       69.76630 40.65643 8.136059 39.62088 7.553847 1.035542       11.10207 
1 1 1 -61 5  17 o 24.94228 6.435457 68.48094       53.40697 19.26343       72.22830 127.8491       79.32760 20.05939 8.525335 29.82517 9.642567 -9.765783      12.87091 
1 1 1 -61 5  18 o 31.77428 6.761396 153.0654       56.12233 144.7755       76.66431 162.6379       82.38165 30.96241 9.405194 32.58615 9.716390 -1.623745      13.52279 
1 1 1 -61 5  19 o 22.85471 6.828027 6.309435       64.30963 -63.03635      77.47866 159.9048       115.3084 15.64791 7.449269 30.06151 11.44536 -14.41360      13.65605 
1 1 1 -61 7  1  o 76.65356 3.918754 726.2469       57.97843 727.5978       64.86700 720.8804       129.2844 77.26694 3.469987 76.04019 7.027497 1.226746       7.837507 
1 1 1 -61 7  2  o 92.46338 3.586441 1035.863       64.41353 1026.462       72.00536 1073.528       144.1223 91.83363 3.240863 93.09314 6.398988 -1.259514      7.172882 
1 1 1 -61 7  3  o 29.51259 6.456875 113.4827       45.87275 122.7327       51.07294 74.87210       104.3450 30.84335 7.004052 28.18182 10.84934 2.661526       12.91375 
1 1 1 -61 7  4  o 50.12569 5.173111 337.5117       48.29144 352.9718       54.71763 283.0458       102.7029 53.75658 4.207201 46.49480 9.452184 7.261776       10.34622 
1 1 1 -61 7  5  o 53.08559 5.417127 391.4620       49.51462 411.7053       54.99553 304.8186       113.7772 58.09600 3.912720 48.07518 10.10305 10.02082       10.83425 
1 1 1 -61 7  6  o 81.27242 3.606331 832.2847       58.49694 850.2173       66.56204 771.4456       122.6019 83.58471 3.291528 78.96014 6.417814 4.624573       7.212662 
1 1 1 -61 7  7  o 56.39333 5.396727 435.7099       53.29134 456.1697       59.39431 351.2195       120.6971 61.12618 4.016199 51.66047 10.01842 9.465710       10.79345 
1 1 1 -61 7  8  o 45.36572 6.133103 296.9863       49.75729 315.6873       55.09608 214.2772       115.8683 50.77816 4.484783 39.95329 11.41694 10.82487       12.26621 
1 1 1 -61 7  9  o 102.9019 3.512713 1327.020       71.70294 1347.465       81.27116 1255.205       152.3172 105.1973 3.193225 100.6064 6.257790 4.590897       7.025427 
1 1 1 -61 7  10 o 40.47641 6.447005 230.5345       48.78617 240.6982       53.34544 178.5842       120.6054 44.22528 4.985680 36.72755 11.89111 7.497726       12.89401 
1 1 1 -61 7  11 o 32.88699 6.909950 136.4088       49.19978 135.7267       53.92482 139.7977       120.1900 32.28969 7.096356 33.48429 11.85881 -1.194599      13.81990 
1 1 1 -61 7  12 o 51.08771 5.829681 334.8305       54.20742 332.3426       60.12931 345.6276       125.2628 51.90012 4.788678 50.27531 10.63058 1.624809       11.65936 
1 1 1 -61 7  13 o 21.50415 6.694290 -8.619348      51.05369 -19.71820      55.95045 46.59132       124.7889 15.82267 7.087156 27.18562 11.35897 -11.36295      13.38858 
1 1 1 -61 7  14 o 43.90886 6.464745 228.4310       54.12586 209.0069       59.64270 319.0958       128.8563 40.70919 6.055675 47.10852 11.42368 -6.399323      12.92949 
1 1 1 -61 7  15 o 51.60969 6.443687 365.4738       58.50664 367.1582       64.40840 357.5253       139.9118 54.20683 4.911184 49.01255 11.91489 5.194283       12.88737 
1 1 1 -61 7  16 o 30.62711 7.713424 94.67995       57.29361 68.84280       62.76486 223.7953       140.3083 23.62011 8.545888 37.63411 12.84350 -14.01400      15.42685 
1 1 1 -61 7  17 o 32.65823 7.381942 171.8683       66.93157 195.7987       76.74802 95.85961       136.7803 36.83120 8.743621 28.48528 11.89628 8.345921       14.76388 
1 1 1 -61 7  18 o 29.44896 6.784018 135.2889       57.25619 166.2658       77.70100 98.48416       84.69533 32.79548 9.341653 26.10244 9.839974 6.693041       13.56804 
1 1 1 -61 9  1  o 39.96240 6.235641 182.2002       48.49278 166.1073       53.55587 255.4432       114.2544 36.58055 6.051382 43.34426 10.90475 -6.763714      12.47128 
1 1 1 -61 9  2  o 76.03685 4.252726 792.8278       59.88164 845.8129       67.45152 595.7169       130.0979 83.30379 3.346761 68.76991 7.819329 14.53387       8.505452 
1 1 1 -61 9  3  f 36.70705 6.234561 214.3179       48.86315 243.4100       53.64877 72.73051       118.3545 44.49982 4.983095 28.91427 11.43013 15.58555       12.46912 
1 1 1 -61 9  4  o 53.52008 5.093379 326.0441       50.76646 309.3130       55.54379 410.9459       125.1216 50.23383 4.570218 56.80634 9.104018 -6.572517      10.18676 
1 1 1 -61 9  5  o 62.76016 4.318477 429.9495       51.83595 397.5364       56.89310 588.3403       125.7665 57.01963 4.124135 68.50069 7.588706 -11.48105      8.636953 
1 1 1 -61 9  6  o 50.11599 6.182476 367.6594       52.29126 390.3378       57.55637 260.4402       125.1479 56.48403 4.211777 43.74795 11.62553 12.73608       12.36495 
1 1 1 -61 9  7  o 149.3848 3.454717 2853.151       106.3905 2966.236       123.3525 2524.688       210.2277 156.0412 3.267431 142.7285 6.088035 13.31276       6.909434 
1 1 1 -61 9  8  o 50.54362 6.001379 315.5882       53.00428 308.6939       57.88987 351.3385       131.8258 50.12139 4.773942 50.96585 11.01252 -0.8444557     12.00276 
1 1 1 -61 9  9  o 24.89007 6.838750 37.95639       47.72748 21.68270       52.71560 111.9453       112.4034 18.67346 7.544568 31.10669 11.40848 -12.43323      13.67750 
1 1 1 -61 9  10 o 45.38967 6.288146 234.2834       51.42210 216.8475       55.90263 330.1606       131.0894 41.82814 5.524097 48.95121 11.29812 -7.123066      12.57629 
1 1 1 -61 9  11 o 35.68695 6.790483 183.7000       52.80257 198.0008       57.59153 108.2808       132.2574 39.82685 5.976961 31.54706 12.19502 8.279789       13.58097 
1 1 1 -61 9  12 o 64.38966 5.382141 508.5208       61.26430 498.2164       66.66078 564.5449       155.4335 63.57766 4.333747 65.20166 9.853345 -1.624004      10.76428 
1 1 1 -61 9  13 o 32.92830 7.469497 127.4729       53.88153 116.0189       58.76026 187.9834       135.0581 29.39248 8.033713 36.46412 12.59496 -7.071640      14.93899 
1 1 1 -61 9  14 o 38.13437 7.176535 195.2044       56.03513 190.0028       61.68748 219.7501       134.0025 37.92485 6.980328 38.34389 12.54136 -0.4190407     14.35307 
1 1 1 -61 9  15 o 42.73434 7.205608 273.8789       56.65247 280.3103       61.01531 233.6704       152.5613 47.08582 5.356072 38.38286 13.37893 8.702953       14.41122 
1 1 1 -61 9  16 o 29.77944 7.458067 45.90625       55.09735 2.157922       59.71146 296.6092       142.9410 17.39300 7.574020 42.16589 12.85011 -24.77289      14.91613 
1 1 1 -61 9  17 o 27.74144 6.476334 122.2984       63.89933 180.4466       70.48759 -145.8656      151.3717 35.16188 8.400817 20.32099 9.858897 14.84088       12.95267 
1 1 1 -61 9  18 o 21.50828 6.710025 34.21311       64.34608 60.57858       70.71835 -92.62344      155.1089 22.01740 8.793523 20.99915 10.13764 1.018257       13.42005 
1 1 1 -61 11 1  o 26.52851 6.055336 97.87509       49.19824 134.4290       53.60468 -97.44200      123.9099 32.07055 7.096514 20.98648 9.813656 11.08406       12.11067 
1 1 1 -61 11 2  o 29.20918 7.375248 86.41565       51.27562 77.78114       55.66308 134.8007       131.7662 24.93319 8.078960 33.48518 12.34129 -8.551985      14.75050 
1 1 1 -61 11 3  o 64.20959 4.844514 549.0639       57.95712 570.5288       64.88688 464.3665       128.8925 68.26753 3.928623 60.15166 8.856816 8.115868       9.689029 
1 1 1 -61 11 4  o 48.39011 6.278615 353.3589       53.94543 382.9593       60.10294 230.6960       122.3498 55.84677 4.448312 40.93344 11.74294 14.91333       12.55723 
1 1 1 -61 11 5  o 62.59494 6.079537 620.7801       59.97617 683.4923       66.55244 349.6728       138.3753 74.78560 3.678271 50.40429 11.58937 24.38131       12.15907 
1 1 1 -61 11 6  o 24.37241 6.855849 49.61824       49.15304 51.18003       53.85769 41.83224       120.2523 21.77363 7.910404 26.97120 11.19983 -5.197563      13.71170 
1 1 1 -61 11 7  o 85.59624 3.979006 905.3914       65.54726 903.4117       73.21555 913.3849       147.1200 85.99827 3.518936 85.19421 7.137719 0.8040543      7.958011 
1 1 1 -61 11 8  o 30.93829 7.236750 115.4790       50.43781 115.6460       54.39756 114.4557       134.6629 29.66597 7.557816 32.21061 12.34348 -2.544643      14.47350 
1 1 1 -61 11 9  o 65.90181 5.643722 624.5862       60.23809 657.4487       66.19547 466.2701       145.2916 73.26860 3.734290 58.53501 10.65183 14.73359       11.28744 
1 1 1 -61 11 10 o 41.28074 7.001116 245.0318       55.08498 254.5449       59.80411 191.7906       141.4797 45.22246 5.466062 37.33901 12.89126 7.883446       14.00223 
1 1 1 -61 11 11 o 68.92609 5.624450 619.2270       64.16259 621.9601       69.31177 602.8555       169.6372 71.08903 4.029973 66.76315 10.50224 4.325882       11.24890 
1 1 1 -61 11 12 o 20.03925 6.723843 -61.02938      54.67472 -69.78529      58.59911 -2.148721      151.9591 13.53933 6.454532 26.53917 11.79743 -12.99985      13.44769 
1 1 1 -61 11 13 o 37.43237 7.578907 194.4247       59.75631 193.4591       65.05000 199.6431       151.2285 38.09590 7.323788 36.76884 13.27108 1.327061       15.15781 
1 1 1 -61 11 14 o 44.40915 7.252506 257.8734       58.02678 246.8685       62.65521 324.2118       153.8322 43.97931 5.888524 44.83898 13.25597 -0.8596725     14.50501 
1 1 1 -61 11 15 o 23.23662 6.919332 48.32167       57.07016 65.37282       61.42739 -59.23855      154.2805 22.98635 8.433208 23.48689 10.97222 -0.5005455     13.83866 
1 1 1 -61 11 16 o 27.29425 7.777933 85.40711       57.67619 79.28787       61.27077 133.0161       170.9027 24.06925 8.473220 30.51926 13.04567 -6.450006      15.55587 
1 1 1 -61 11 17 o 36.32649 8.260656 196.7814       63.10648 178.9747       67.34847 324.9257       180.6700 34.64614 8.167921 38.00684 14.36102 -3.360695      16.52131 
1 1 1 -61 13 1  o 33.42180 6.406428 181.7714       52.19462 210.6489       55.88719 -15.34801      146.0150 41.04228 5.628316 25.80132 11.51049 15.24096       12.81286 
1 1 1 -61 13 2  o 21.83174 6.639069 19.94237       50.74591 25.26859       55.58190 -6.731708      124.3852 19.21591 7.752844 24.44757 10.77972 -5.231659      13.27814 
1 1 1 -61 13 3  o 24.24909 6.982697 49.04639       50.20306 54.67707       53.96670 12.84949       136.8300 22.03372 7.931075 26.46447 11.49479 -4.430752      13.96539 
1 1 1 -61 13 4  o 29.85265 7.450873 102.4390       52.61102 101.5931       56.58906 107.8287       142.8443 27.77589 7.991441 31.92942 12.57771 -4.153524      14.90175 
1 1 1 -61 13 5  o 47.74680 6.528196 387.1539       56.77194 438.9278       63.25635 172.7543       128.7244 59.69894 4.379608 35.79467 12.29994 23.90427       13.05639 
1 1 1 -61 13 6  o 68.61098 6.651433 817.4333       64.80788 904.4160       70.95955 380.0119       159.1272 85.98964 3.410848 51.23233 12.85816 34.75731       13.30287 
1 1 1 -61 13 7  o 35.25224 8.164177 118.0538       66.54285 80.06627       73.46056 291.7311       157.0744 25.95510 9.262706 44.54938 13.44684 -18.59428      16.32835 
1 1 1 -61 13 8  o 45.39178 7.336799 298.9785       56.25510 306.1148       59.99239 246.9958       161.9152 49.66785 4.992505 41.11571 13.79816 8.552139       14.67360 
1 1 1 -61 13 9  o 27.34991 7.642132 67.48287       53.33868 64.00420       56.68396 94.37240       157.5960 23.16981 8.150614 31.53000 12.92967 -8.360193      15.28426 
1 1 1 -61 13 10 o 74.15269 5.343706 753.3949       65.37622 772.7938       71.01398 645.5681       167.4244 79.28073 3.702320 69.02464 10.02565 10.25609       10.68741 
1 1 1 -61 13 11 o 24.44512 7.532630 8.830365       54.28280 -3.606779      57.58670 107.9833       162.5978 17.00768 7.421231 31.88256 13.11058 -14.87489      15.06526 
1 1 1 -61 13 12 f 27.64300 6.868515 108.1911       57.35174 136.9807       60.98774 -111.8858      168.6213 31.61696 7.974128 23.66904 11.18567 7.947916       13.73703 
1 1 1 -61 13 13 o 38.43902 7.863095 200.7926       58.98760 193.6051       62.96521 252.3498       168.6376 37.92502 7.123930 38.95302 14.02008 -1.028000      15.72619 
1 1 1 -61 13 14 f 23.99810 7.311990 32.21776       54.56518 22.09011       58.53815 99.32183       150.6812 18.71321 7.796048 29.28299 12.37265 -10.56978      14.62398 
1 1 1 -61 13 15 o 21.31771 6.838164 16.38633       60.03248 32.50174       63.91112 -104.4259      174.9892 19.81864 8.191956 22.81679 10.95143 -2.998154      13.67633 
1 1 1 -61 13 16 o 37.17022 8.337151 202.8345       62.01014 184.8288       65.61971 353.1231       189.5803 35.45045 7.857290 38.88998 14.70698 -3.439526      16.67430 
1 1 1 -61 15 2  o 25.75714 7.521795 50.41561       77.32619 88.41166       93.32224 -32.81380      138.1193 27.40287 10.32927 24.11142 10.93690 3.291449       15.04359 
1 1 1 -61 15 3  o 23.59419 7.141877 33.15494       54.25310 36.75632       58.21984 9.395598       149.5389 20.42292 8.034669 26.76547 11.80973 -6.342552      14.28375 
1 1 1 -61 15 4  o 34.75642 7.368746 161.8136       55.11864 161.6232       59.84134 162.8792       141.5571 34.86905 7.326334 34.64380 12.78743 0.2252502      14.73749 
1 1 1 -61 15 5  o 32.74906 5.658033 192.3683       55.05026 252.9339       59.45895 -171.2076      145.6806 44.92222 5.470836 20.57590 9.905721 24.34632       11.31607 
1 1 1 -61 15 6  o 52.94515 6.874951 412.2230       59.97589 425.7194       65.21819 338.2510       152.6837 58.56995 4.602477 47.32035 12.95674 11.24960       13.74990 
1 1 1 -61 15 7  o 65.57849 6.717577 654.1008       78.50159 712.0524       89.37916 458.5366       164.1907 75.59393 4.887053 55.56305 12.51480 20.03087       13.43515 
1 1 1 -61 15 8  o 44.96806 7.455707 254.7193       58.49817 243.2611       62.62642 333.1350       163.8326 43.84713 5.903562 46.08898 13.69300 -2.241848      14.91141 
1 1 1 -61 15 9  o 39.49430 7.927724 149.3141       57.80825 116.2934       61.63341 390.8388       166.6876 29.16124 8.324577 49.82737 13.49432 -20.66613      15.85545 
1 1 1 -61 15 10 o 53.94328 7.588520 414.5313       63.27584 413.5768       67.38252 421.6538       184.0649 57.45160 4.847779 50.43496 14.38199 7.016640       15.17704 
1 1 1 -61 15 11 o 38.16985 7.544595 231.4417       61.08448 243.1515       64.74517 136.5854       184.2744 43.46146 6.157449 32.87823 13.77568 10.58323       15.08919 
1 1 1 -61 15 12 o 41.63779 7.722360 263.7599       63.67014 265.4213       68.48833 253.1826       172.8076 45.16933 6.267159 38.10626 14.11602 7.063065       15.44472 
1 1 1 -61 15 13 o 33.33337 6.932462 191.1665       61.28773 215.7269       65.30718 9.865556       177.4365 40.25760 6.705185 26.40915 12.13576 13.84845       13.86492 
1 1 1 -61 15 14 o 23.91354 7.662117 3.848920       59.14882 -17.09201      62.64143 176.0857       179.6497 16.19385 7.353165 31.63323 13.44482 -15.43938      15.32423 
1 1 1 -61 15 15 o 26.48265 7.770587 96.07012       62.03283 92.95998       65.51431 123.0220       192.8592 24.77802 8.757525 28.18728 12.83876 -3.409254      15.54117 
1 1 1 -61 17 6  o 29.59880 8.663524 64.00007       90.37077 18.00119       104.7418 197.9774       178.7565 23.16046 10.05837 36.03715 14.10871 -12.87669      17.32705 
1 1 1 -61 17 7  o 25.99703 11.89081 -20.74955      167.6413 0.000000       0.000000 -20.74955      167.6413 ?        ?        25.99703 11.89081 ?              ?        
1 1 1 -61 17 8  o 29.06056 8.103703 49.88253       56.79855 24.55587       60.18832 255.9191       171.6704 19.23499 7.950173 38.88613 14.12355 -19.65114      16.20741 
1 1 1 -61 17 9  o 22.92169 7.232447 24.21186       59.25525 29.70627       63.12704 -16.50208      171.8410 19.87757 8.170936 25.96580 11.93604 -6.088226      14.46489 
1 1 1 -61 17 10 o 33.88901 7.551881 179.0899       60.24459 186.0373       64.60554 132.7781       166.8025 36.61305 7.544391 31.16496 13.08456 5.448084       15.10376 
1 1 1 -61 17 11 o 38.62961 6.954296 282.8227       63.92685 314.1326       68.34251 63.74777       180.7783 49.11030 5.751962 28.14892 12.66348 20.96138       13.90859 
1 1 1 -61 17 12 o 39.15366 8.344841 209.0699       63.14968 185.8307       67.28593 380.8448       182.9337 35.77834 7.976677 42.52896 14.66009 -6.750622      16.68968 
1 1 1 -61 17 13 o 39.01723 7.975851 243.8744       63.69433 233.7357       67.77612 320.5235       186.3538 41.09093 6.817551 36.94353 14.42143 4.147400       15.95170 
1 1 1 -60 0  1  o 13.86391 6.107564 15.48342       58.76485 15.48342       58.76485 15.48342       58.76485 13.86391 8.637401 13.86391 8.637401 0.000000       0.000000 
1 1 1 -60 0  2  o 135.1520 2.684553 2221.134       123.9184 2221.134       123.9184 2221.134       123.9184 135.1520 3.796531 135.1520 3.796531 0.000000       0.000000 
1 1 1 -60 0  3  o 133.2115 2.628451 2157.164       119.5896 2157.164       119.5896 2157.164       119.5896 133.2115 3.717191 133.2115 3.717191 0.000000       0.000000 
1 1 1 -60 0  4  o 35.01298 5.235208 167.8446       55.17404 167.8446       55.17404 167.8446       55.17404 35.01298 7.403702 35.01298 7.403702 0.000000       0.000000 
1 1 1 -60 0  5  o 26.24600 6.796443 112.3512       56.32893 112.3512       56.32893 112.3512       56.32893 26.24600 9.611621 26.24600 9.611621 0.000000       0.000000 
1 1 1 -60 0  6  o 100.2535 2.598141 1223.732       88.84928 1223.732       88.84928 1223.732       88.84928 100.2535 3.674327 100.2535 3.674327 0.000000       0.000000 
1 1 1 -60 0  7  o 14.05818 6.466517 -4.591315      74.92106 -4.591315      74.92106 -4.591315      74.92106 14.05818 9.145037 14.05818 9.145037 0.000000       0.000000 
1 1 1 -60 0  8  o 9.553194 4.673396 -41.89550      52.13525 -41.89550      52.13525 -41.89550      52.13525 9.553194 6.609179 9.553194 6.609179 0.000000       0.000000 
1 1 1 -60 0  9  o 22.73400 6.962801 90.80767       55.88118 90.80767       55.88118 90.80767       55.88118 22.73400 9.846889 22.73400 9.846889 0.000000       0.000000 
1 1 1 -60 0  10 o 16.40622 6.476810 45.41324       54.24884 45.41324       54.24884 45.41324       54.24884 16.40622 9.159593 16.40622 9.159593 0.000000       0.000000 
1 1 1 -60 0  11 o 62.24623 3.180846 478.6441       66.93133 478.6441       66.93133 478.6441       66.93133 62.24623 4.498396 62.24623 4.498396 0.000000       0.000000 
1 1 1 -60 0  12 o 73.37799 2.925997 661.0550       72.92673 661.0550       72.92673 661.0550       72.92673 73.37799 4.137984 73.37799 4.137984 0.000000       0.000000 
1 1 1 -60 0  13 o 20.84340 7.140413 79.95363       59.45265 79.95363       59.45265 79.95363       59.45265 20.84340 10.09807 20.84340 10.09807 0.000000       0.000000 
1 1 1 -60 0  14 o 11.42255 5.389077 -16.68808      57.46012 -16.68808      57.46012 -16.68808      57.46012 11.42255 7.621306 11.42255 7.621306 0.000000       0.000000 
1 1 1 -60 0  15 o 53.49515 4.058371 363.4879       72.12224 363.4879       72.12224 363.4879       72.12224 53.49515 5.739403 53.49515 5.739403 0.000000       0.000000 
1 1 1 -60 0  16 o 50.84231 4.308631 332.5437       72.10368 332.5437       72.10368 332.5437       72.10368 50.84231 6.093325 50.84231 6.093325 0.000000       0.000000 
1 1 1 -60 0  17 o 63.04947 3.818256 501.5534       80.97903 501.5534       80.97903 501.5534       80.97903 63.04947 5.399829 63.04947 5.399829 0.000000       0.000000 
1 1 1 -60 0  18 o 13.52601 6.299680 -4.502106      74.44032 -4.502106      74.44032 -4.502106      74.44032 13.52601 8.909093 13.52601 8.909093 0.000000       0.000000 
1 1 1 -60 0  19 o 17.43769 7.499999 50.54985       83.74066 50.54985       83.74066 50.54985       83.74066 17.43769 10.60660 17.43769 10.60660 0.000000       0.000000 
1 1 1 -60 2  1  o 39.73228 5.552052 227.9623       43.95050 253.7473       50.49741 147.4123       89.25210 45.59018 4.578208 33.87439 10.11638 11.71579       11.10410 
1 1 1 -60 2  2  o 69.77332 3.550787 560.0873       52.10822 527.4286       59.54621 666.8650       107.6699 65.84373 3.737983 73.70290 6.038199 -7.859169      7.101575 
1 1 1 -60 2  3  o 22.33099 5.883978 12.05279       41.50462 -22.52715      48.22414 110.8507       81.51287 14.56433 6.547414 30.09765 9.778351 -15.53331      11.76796 
1 1 1 -60 2  4  o 94.65692 3.137901 1142.187       62.69562 1201.981       73.76272 986.5557       119.0028 99.50706 3.063943 89.80678 5.477036 9.700287       6.275801 
1 1 1 -60 2  5  o 26.04841 5.965795 57.96809       40.50307 28.72528       47.01260 142.1773       79.77823 18.81052 7.270968 33.28630 9.460225 -14.47578      11.93159 
1 1 1 -60 2  6  o 91.14149 3.269177 1074.547       61.29872 1138.980       71.39711 893.8727       119.5577 96.86299 3.046635 85.42001 5.785161 11.44299       6.538354 
1 1 1 -60 2  7  o 35.72119 6.088248 128.5737       46.60570 91.08679       52.92372 258.0607       98.36107 26.81376 7.732276 44.62862 9.406326 -17.81487      12.17650 
1 1 1 -60 2  8  o 42.61621 5.501614 259.9406       45.77925 288.2355       52.83968 174.7769       91.67120 48.60381 4.493530 36.62862 10.04386 11.97518       11.00323 
1 1 1 -60 2  9  o 63.92639 3.664038 478.2185       47.91688 459.8354       54.26866 543.2480       102.0693 61.46335 3.649476 66.38943 6.354684 -4.926079      7.328075 
1 1 1 -60 2  10 o 51.97902 3.501317 330.4917       43.70370 387.6168       63.39404 278.7512       60.33231 56.29133 4.654838 47.66672 5.231574 8.624611       7.002634 
1 1 1 -60 2  11 o 60.22537 3.192509 444.3085       46.47888 429.1060       66.24422 459.0489       65.22964 59.19239 4.625726 61.25836 4.401263 -2.065975      6.385018 
1 1 1 -60 2  12 o 51.72533 3.649597 329.4450       45.63287 333.8570       63.50239 324.7340       65.61888 52.10457 5.037464 51.34609 5.282252 0.7584763      7.299193 
1 1 1 -60 2  13 o 22.00861 5.590736 50.20939       39.48823 77.14318       54.63732 20.75578       57.13601 24.85644 7.998977 19.16079 7.812918 5.695642       11.18147 
1 1 1 -60 2  14 o 58.52464 3.471140 422.0555       48.83787 360.7099       67.30714 490.2652       70.97292 53.98211 5.153580 63.06717 4.651436 -9.085060      6.942279 
1 1 1 -60 2  15 o 20.82548 5.857132 34.78835       44.19882 34.07609       62.90673 35.48277       62.11395 20.80479 8.298610 20.84617 8.267834 -0.4137421E-01 11.71426 
1 1 1 -60 2  16 o 34.52569 6.082326 163.1405       50.72983 178.4639       72.08659 148.1060       71.40390 36.21110 8.392280 32.84029 8.806158 3.370811       12.16465 
1 1 1 -60 2  17 o 34.05558 5.797921 156.4814       52.91869 64.92226       73.81420 253.3042       75.90631 24.02645 9.155002 44.08471 7.116847 -20.05826      11.59584 
1 1 1 -60 2  18 o 17.21725 5.569384 -36.61184      52.64220 -67.53210      72.84789 -2.818727      76.15693 15.43307 7.310960 19.00142 8.403689 -3.568352      11.13877 
1 1 1 -60 2  19 o 30.93264 6.959427 149.3050       58.97105 166.5407       83.10976 131.8284       83.68855 32.65616 9.764226 29.20912 9.919394 3.447037       13.91885 
1 1 1 -60 4  1  o 81.53864 3.567740 785.7373       59.03435 763.1519       66.76919 866.6270       126.3597 79.20056 3.484540 83.87672 6.226801 -4.676163      7.135479 
1 1 1 -60 4  2  o 123.8370 3.154502 1822.719       80.19352 1780.958       91.25679 1964.307       168.0326 121.0786 3.115268 126.5954 5.486221 -5.516769      6.309003 
1 1 1 -60 4  3  o 106.2054 3.148362 1343.769       68.29143 1316.931       77.58879 1436.050       143.8756 104.1333 3.079690 108.2776 5.492199 -4.144287      6.296725 
1 1 1 -60 4  4  o 59.00465 4.378672 470.4974       49.87762 505.6588       56.99521 355.5027       103.0728 64.47980 3.653527 53.52951 7.958819 10.95029       8.757343 
1 1 1 -60 4  5  o 72.56435 3.529943 677.6882       52.21809 711.1471       60.39297 578.5842       103.9384 76.50938 3.262642 68.61932 6.260765 7.890060       7.059887 
1 1 1 -60 4  6  o 153.4554 3.220255 2910.020       103.3194 2948.105       119.6456 2798.334       204.8890 155.7891 3.174367 151.1217 5.603888 4.667450       6.440510 
1 1 1 -60 4  7  o 124.1590 3.307286 1872.634       92.76380 1855.357       112.3806 1909.578       164.3335 123.4693 3.762097 124.8487 5.440514 -1.379402      6.614573 
1 1 1 -60 4  8  o 111.4870 3.136343 1497.742       72.37762 1479.895       82.88887 1555.027       148.5028 110.3618 3.104382 112.6122 5.450634 -2.250366      6.272686 
1 1 1 -60 4  9  o 105.2582 3.302132 1442.121       71.40595 1534.139       83.23373 1185.604       138.9702 112.3523 3.062070 98.16403 5.851499 14.18826       6.604265 
1 1 1 -60 4  10 o 64.35851 4.067367 520.4857       52.72147 529.3336       60.14559 491.1362       109.5431 65.89176 3.772857 62.82525 7.206903 3.066513       8.134733 
1 1 1 -60 4  11 o 14.64218 5.052945 -92.16858      42.68898 -96.28887      47.99813 -76.57346      93.38015 10.81293 5.310787 18.47143 8.597939 -7.658494      10.10589 
1 1 1 -60 4  12 o 63.22612 4.247066 492.2884       53.45964 489.7831       60.38619 501.3683       114.9600 63.29257 3.943507 63.15967 7.523234 0.1329002      8.494133 
1 1 1 -60 4  13 o 85.49239 3.448459 895.6204       59.72012 891.3580       67.90508 910.1725       125.4719 85.47684 3.283609 85.50793 6.065096 -0.3108215E-01 6.896918 
1 1 1 -60 4  14 o 38.27792 5.369271 192.2318       47.95864 187.5195       66.92932 197.2046       68.75504 37.78793 7.584466 38.76790 7.602116 -0.9799690     10.73854 
1 1 1 -60 4  15 o 23.36869 6.228884 57.23677       48.17223 68.68706       68.89787 46.28572       67.37914 24.46344 8.937930 22.27395 8.678098 2.189493       12.45777 
1 1 1 -60 4  16 o 29.51444 6.371056 118.8291       49.71254 125.8584       70.58916 111.9123       70.02256 30.28314 8.986038 28.74574 9.033965 1.537403       12.74211 
1 1 1 -60 4  17 o 55.63180 4.149735 394.8553       55.82484 379.3333       77.66641 411.4460       80.29573 54.49040 5.891297 56.77320 5.845839 -2.282795      8.299471 
1 1 1 -60 4  18 o 31.93707 6.016038 139.0429       54.15276 44.11474       74.13619 247.6296       79.29053 21.85254 8.903846 42.02159 8.092737 -20.16905      12.03208 
1 1 1 -60 4  19 o 24.68147 6.681008 74.07188       57.84664 27.76449       77.71412 131.6066       86.62429 20.44601 8.769948 28.91692 10.08124 -8.470909      13.36202 
1 1 1 -60 6  1  o 97.92453 3.420424 1218.345       67.29333 1256.690       76.97224 1093.992       138.6155 101.6629 3.129458 94.18613 6.083066 7.476814       6.840847 
1 1 1 -60 6  2  o 153.3442 3.316285 2881.235       104.3074 2886.647       119.3822 2863.772       214.4398 154.0875 3.202359 152.6009 5.808260 1.486633       6.632570 
1 1 1 -60 6  3  o 91.55968 3.452807 1022.311       62.56093 1019.983       70.49935 1030.934       135.7053 91.60730 3.180920 91.51205 6.129376 0.9524536E-01  6.905614 
1 1 1 -60 6  4  o 36.75415 6.200722 180.0755       46.29926 187.4264       51.47840 148.9590       105.9133 39.09799 5.442123 34.41031 11.14357 4.687675       12.40144 
1 1 1 -60 6  5  o 104.7624 3.197463 1368.027       68.93054 1394.700       79.36677 1286.139       139.0631 107.1465 3.061671 102.3783 5.614379 4.768150       6.394927 
1 1 1 -60 6  6  o 34.95806 6.101124 166.8293       45.70111 178.9025       51.32783 120.6425       100.3926 38.18371 5.556130 31.73241 10.86390 6.451298       12.20225 
1 1 1 -60 6  7  o 51.54883 5.447919 400.9838       51.32466 461.2215       59.58762 227.8406       101.0240 61.50926 4.004177 41.58840 10.13340 19.92086       10.89584 
1 1 1 -60 6  8  o 64.21602 4.482831 566.7649       53.44592 607.5162       60.32732 418.0844       115.2312 70.64137 3.529820 57.79067 8.241570 12.85070       8.965663 
1 1 1 -60 6  9  o 29.74432 6.705565 100.7709       45.69787 94.56841       50.71595 127.5431       105.3664 27.11604 7.485156 32.37261 11.12793 -5.256573      13.41113 
1 1 1 -60 6  10 o 102.1306 3.410896 1240.575       68.62414 1213.273       76.85082 1348.007       152.4471 99.84285 3.181480 104.4183 6.034486 -4.575424      6.821791 
1 1 1 -60 6  11 o 96.83752 3.665491 1152.882       68.11588 1151.715       76.00443 1157.644       153.5416 97.23580 3.230802 96.43925 6.580669 0.7965546      7.330982 
1 1 1 -60 6  12 o 25.27759 6.434396 76.19759       47.82971 95.87256       52.60704 -17.60857      114.8689 27.16426 7.668844 23.39092 10.33415 3.773338       12.86879 
1 1 1 -60 6  13 o 40.20539 6.326854 170.9178       51.07172 135.5307       56.92417 316.9542       115.6391 32.10585 7.469096 48.30493 10.21415 -16.19908      12.65371 
1 1 1 -60 6  14 o 22.26871 6.575846 22.06646       48.81974 13.77242       54.63775 54.90779       108.7227 18.08973 7.533698 26.44770 10.78009 -8.357979      13.15169 
1 1 1 -60 6  15 o 19.79502 6.355828 -24.53868      50.96782 -32.74292      56.43697 11.74301       118.6829 15.03151 6.884073 24.55854 10.68624 -9.527034      12.71166 
1 1 1 -60 6  16 o 50.54218 7.092169 376.9513       70.64252 393.4318       80.41486 321.2374       147.8538 55.62104 5.975784 45.46331 12.86412 10.15773       14.18434 
1 1 1 -60 6  17 o 25.37856 6.108820 76.87856       51.31649 140.6714       69.61237 0.9504830      75.94545 31.44189 8.802484 19.31524 8.472722 12.12666       12.21764 
1 1 1 -60 6  18 o 20.36155 6.053388 23.77400       52.48698 57.56949       71.14819 -16.57939      77.74536 22.53011 8.876206 18.19300 8.233284 4.337116       12.10678 
1 1 1 -60 6  19 o 21.13863 6.327313 40.26931       55.97840 49.08216       79.35101 31.53844       78.98110 21.73430 9.067575 20.54297 8.827153 1.191326       12.65463 
1 1 1 -60 8  1  o 44.03437 6.190172 308.4850       50.83160 346.7536       56.80844 154.7888       113.8475 53.22864 4.411286 34.84010 11.56778 18.38853       12.38034 
1 1 1 -60 8  2  o 105.0197 3.299422 1321.824       69.98773 1298.759       79.21086 1403.926       149.4463 103.3217 3.168772 106.7178 5.788232 -3.396126      6.598845 
1 1 1 -60 8  3  o 90.91592 3.555179 1023.996       63.35177 1031.568       71.33118 995.7169       137.8468 92.08762 3.201665 89.74422 6.348743 2.343399       7.110359 
1 1 1 -60 8  4  o 126.8886 3.308080 1990.698       84.33518 2007.429       95.85564 1933.373       177.4293 128.4949 3.083398 125.2823 5.853736 3.212563       6.616160 
1 1 1 -60 8  5  o 37.20662 6.157173 206.8954       48.07431 231.3538       53.70422 108.2451       107.8556 43.43187 5.110902 30.98137 11.20365 12.45050       12.31435 
1 1 1 -60 8  6  o 185.1112 3.546359 4189.087       134.9612 4177.994       154.4740 4224.866       277.4148 185.2500 3.446632 184.9724 6.198981 0.2775269      7.092718 
1 1 1 -60 8  7  o 48.07961 5.663439 316.6805       50.85598 333.5627       57.57530 256.7520       108.4771 52.20842 4.558199 43.95078 10.36923 8.257641       11.32688 
1 1 1 -60 8  8  o 122.9301 3.411877 1902.730       84.03786 1944.415       95.77487 1763.236       175.2015 126.4171 3.131435 119.4431 6.062816 6.974030       6.823754 
1 1 1 -60 8  9  o 91.37439 3.662891 1018.742       64.75398 1013.193       72.36159 1041.047       145.0798 91.21021 3.279158 91.53858 6.550894 -0.3283768     7.325782 
1 1 1 -60 8  10 o 27.69749 7.085159 70.43143       46.86469 60.65620       50.80387 126.2344       121.3842 22.67757 7.728461 32.71742 11.87724 -10.03985      14.17032 
1 1 1 -60 8  11 o 16.87767 5.772555 -79.18224      46.94254 -82.54935      51.10446 -60.99941      118.7575 11.85745 5.747086 21.89789 10.01302 -10.04044      11.54511 
1 1 1 -60 8  12 o 59.96830 5.111003 454.3251       56.27146 454.3925       62.08860 454.0155       133.1505 60.82698 4.219037 59.10962 9.310699 1.717365       10.22201 
1 1 1 -60 8  13 o 32.26191 7.318284 81.31792       53.40285 45.35276       58.37074 266.0321       132.2831 21.43413 8.147397 43.08968 12.15932 -21.65555      14.63657 
1 1 1 -60 8  14 o 30.28822 6.752403 135.0781       54.40640 159.0164       59.40299 10.47115       135.5291 34.63620 7.318079 25.94025 11.35013 8.695944       13.50481 
1 1 1 -60 8  15 o 33.88461 7.542335 135.4850       54.85753 120.0146       59.80859 217.4896       137.6998 29.68999 8.100928 38.07924 12.72487 -8.389242      15.08467 
1 1 1 -60 8  16 o 20.05150 6.446591 -3.619511      55.61320 16.64465       59.99621 -127.3052      148.2242 18.65901 7.841314 21.44399 10.23464 -2.784985      12.89318 
1 1 1 -60 8  17 o 20.13897 6.651117 -35.66773      57.08629 -47.33174      62.37188 24.53302       141.6987 14.84320 6.947825 25.43475 11.34360 -10.59155      13.30223 
1 1 1 -60 8  18 o 30.07485 7.721450 124.3896       58.54696 111.3479       63.81833 193.6942       147.1158 27.37588 8.627673 32.77382 12.80806 -5.397947      15.44290 
1 1 1 -60 10 1  o 26.08314 6.501117 83.99580       46.98758 101.3058       50.94838 -14.52707      121.5488 27.90702 7.418445 24.25926 10.67824 3.647757       13.00223 
1 1 1 -60 10 2  o 20.41707 6.437134 -8.605103      47.56922 -9.846057      51.73483 -1.816776      121.0003 15.95960 6.997069 24.87454 10.80684 -8.914943      12.87427 
1 1 1 -60 10 3  o 54.48356 5.710375 389.1973       53.36879 394.4145       58.60066 363.8311       129.2146 56.76894 4.266674 52.19818 10.59382 4.570751       11.42075 
1 1 1 -60 10 4  o 27.87701 6.887154 67.57870       46.80241 49.41760       51.69384 150.1487       110.2247 21.46820 7.757442 34.28582 11.38216 -12.81761      13.77431 
1 1 1 -60 10 5  o 48.37899 6.138782 305.0279       51.49136 306.8170       56.30980 295.8953       127.2194 50.02253 4.652817 46.73545 11.36177 3.287086       12.27756 
1 1 1 -60 10 6  o 87.10008 3.797182 944.4225       63.29869 950.9714       70.71595 918.0250       141.9758 88.35607 3.308100 85.84409 6.835995 2.511986       7.594363 
1 1 1 -60 10 7  f 45.58603 6.425219 337.4554       55.19194 382.7566       61.79982 158.9530       122.6745 55.86733 4.572218 35.30472 12.00952 20.56261       12.85044 
1 1 1 -60 10 8  o 18.31682 6.098775 -43.35947      47.96998 -39.62773      51.85984 -65.47293      126.2420 14.05277 6.494669 22.58088 10.32470 -8.528110      12.19755 
1 1 1 -60 10 9  o 51.60813 6.160491 365.2166       54.34472 375.5464       59.69026 315.1696       131.3850 55.31284 4.460415 47.90342 11.48526 7.409424       12.32098 
1 1 1 -60 10 10 o 48.00285 6.488177 319.0794       53.27410 327.0993       58.07512 276.5021       133.8122 51.55209 4.656306 44.45362 12.11217 7.098465       12.97635 
1 1 1 -60 10 11 o 37.80791 6.742330 222.7377       52.98191 243.9262       57.30263 97.91791       139.0807 44.34284 5.341322 31.27299 12.38169 13.06985       13.48466 
1 1 1 -60 10 12 o 39.33522 6.737914 258.2134       55.52335 288.1779       60.08493 83.04581       145.2744 48.16647 5.156065 30.50398 12.45042 17.66249       13.47583 
1 1 1 -60 10 13 f 22.38672 6.865951 22.91912       53.97361 31.99708       58.34288 -30.96966      142.1487 20.05233 7.993974 24.72112 11.16519 -4.668783      13.73190 
1 1 1 -60 10 14 o 40.99168 7.097584 234.9362       57.06802 236.5098       62.39866 226.8888       141.1091 43.19870 5.970385 38.78466 12.87856 4.414032       14.19517 
1 1 1 -60 10 15 o 53.58455 6.536798 352.7071       59.11264 333.1740       63.77852 471.7430       157.4445 51.42067 5.126659 55.74843 12.02648 -4.327759      13.07360 
1 1 1 -60 10 16 o 29.71499 7.653071 118.1221       59.99801 115.9746       65.60931 129.0898       148.2733 28.54915 8.707064 30.88083 12.58829 -2.331684      15.30614 
1 1 1 -60 10 17 o 29.49916 7.366430 138.5654       63.37430 154.5642       69.48836 59.46460       154.5108 32.26842 8.701779 26.72991 11.88849 5.538519       14.73286 
1 1 1 -60 10 18 o 28.80329 7.168982 145.8216       63.43790 165.6849       69.00150 37.33492       161.2579 32.75520 8.598143 24.85138 11.47385 7.903824       14.33796 
1 1 1 -60 12 1  o 72.23627 4.897008 724.5168       61.96276 762.4200       68.59506 556.4545       144.4408 78.95181 3.591108 65.52072 9.111898 13.43108       9.794016 
1 1 1 -60 12 2  o 22.14838 6.592675 29.00495       50.19816 41.67433       54.76181 -37.64426      125.6023 20.82062 7.896954 23.47614 10.55896 -2.655527      13.18535 
1 1 1 -60 12 3  o 28.43482 6.842811 103.1671       50.68465 115.7507       55.54601 40.57109       123.8869 29.70452 7.674437 27.16511 11.33134 2.539413       13.68562 
1 1 1 -60 12 4  o 24.70029 7.061139 44.58023       50.17410 42.68256       54.39811 55.39560       129.8653 20.91521 7.885633 28.48537 11.71561 -7.570158      14.12228 
1 1 1 -60 12 5  o 44.04701 6.681504 313.6508       54.30551 344.4363       59.36355 155.7406       134.4471 52.92694 4.635971 35.16707 12.53307 17.75987       13.36301 
1 1 1 -60 12 6  o 82.27991 4.563024 949.8229       65.72253 1009.781       72.95826 691.7311       151.3698 90.97731 3.314661 73.58250 8.502810 17.39481       9.126048 
1 1 1 -60 12 7  o 41.10686 6.979228 172.4054       52.33732 146.7774       56.42565 330.2796       140.0473 33.56192 7.166970 48.65179 11.97802 -15.08987      13.95846 
1 1 1 -60 12 8  o 119.5600 3.827601 1841.184       85.58161 1885.306       95.42077 1659.726       193.5096 124.3135 3.172651 114.8064 6.966808 9.507065       7.655203 
1 1 1 -60 12 9  o 45.65196 6.885902 235.7532       53.72622 219.2959       57.53380 347.8882       150.1810 41.97275 5.665697 49.33118 12.55239 -7.358433      13.77180 
1 1 1 -60 12 10 o 51.02884 7.105529 407.6438       57.99002 429.2404       62.40927 271.1481       156.8975 59.01521 4.371021 43.04246 13.52214 15.97276       14.21106 
1 1 1 -60 12 11 o 23.60566 7.249766 28.50782       53.74399 33.80053       56.88803 -15.44319      163.9329 20.10081 7.931307 27.11051 12.13799 -7.009699      14.49953 
1 1 1 -60 12 12 o 29.82756 7.399635 116.8659       55.92835 126.6357       59.87325 49.97025       156.6714 30.61839 7.995769 29.03672 12.45335 1.581667       14.79927 
1 1 1 -60 12 13 o 38.71047 7.259201 240.0206       61.34024 259.9296       66.12981 117.3230       164.1686 45.21740 6.044903 32.20354 13.20012 13.01386       14.51840 
1 1 1 -60 12 14 o 39.95616 7.431886 226.5811       58.65297 225.7802       63.33028 231.4099       155.5083 41.89200 6.248532 38.02032 13.48657 3.871677       14.86377 
1 1 1 -60 12 15 o 22.14339 6.996667 20.52067       56.34949 26.32528       60.19371 -20.61868      160.2483 19.26058 7.954813 25.02620 11.51236 -5.765617      13.99333 
1 1 1 -60 12 16 o 42.38194 7.256171 333.6255       63.63501 357.6051       68.22291 173.1113       176.5089 52.57282 5.363727 32.19106 13.48475 20.38177       14.51234 
1 1 1 -60 12 17 o 22.42735 7.321322 -7.400703      60.35393 -30.23737      64.63323 148.1261       168.6717 15.55861 7.211661 29.29610 12.74359 -13.73749      14.64264 
1 1 1 -60 14 1  o 51.85204 6.869727 460.6022       58.56446 504.8481       63.91757 229.1493       146.1891 64.00985 4.127348 39.69422 13.10487 24.31563       13.73945 
1 1 1 -60 14 2  o 51.22995 6.802810 394.3166       57.40204 412.9973       62.40445 291.6122       146.3232 57.83931 4.459541 44.62058 12.85400 13.21873       13.60562 
1 1 1 -60 14 3  o 21.04304 6.510955 15.06593       51.81473 38.18833       55.04277 -164.9018      153.5611 20.38479 7.870826 21.70128 10.37402 -1.316488      13.02191 
1 1 1 -60 14 4  f 43.53522 7.032779 241.4709       53.82355 236.2768       57.87550 274.7174       146.4234 43.55989 5.491685 43.51054 12.94918 0.4934692E-01  14.06556 
1 1 1 -60 14 5  o 76.14600 5.190159 798.3962       65.26305 825.5571       71.01908 650.9221       165.4860 82.10282 3.575318 70.18919 9.745157 11.91364       10.38032 
1 1 1 -60 14 6  o 31.86327 7.277031 139.2475       52.12535 149.6765       54.96185 45.96074       164.3807 33.82545 6.948554 29.90110 12.78821 3.924355       14.55406 
1 1 1 -60 14 7  o 40.99489 7.537365 206.3788       57.10833 197.9424       61.17812 263.5336       159.2363 39.63893 6.379284 42.35085 13.65841 -2.711922      15.07473 
1 1 1 -60 14 8  o 28.17031 7.555268 82.73297       53.26586 81.73471       56.87833 89.85128       151.8841 25.25163 8.165065 31.08898 12.71456 -5.837347      15.11054 
1 1 1 -60 14 9  o 92.02986 4.722718 1073.013       71.99075 1071.946       77.60374 1079.595       192.7990 93.50875 3.430268 90.55098 8.800541 2.957771       9.445436 
1 1 1 -60 14 10 o 24.70802 11.34556 -55.41939      154.6865 0.000000       0.000000 -55.41939      154.6865 ?        ?        24.70802 11.34556 ?              ?        
1 1 1 -60 14 11 f 67.02345 6.251859 590.5830       64.63477 585.9421       69.29401 621.6538       179.2947 68.78920 4.163639 65.25769 11.79013 3.531509       12.50372 
1 1 1 -60 14 12 o 33.49376 6.512923 194.2830       61.84412 237.6546       65.90594 -125.4016      178.9297 43.02199 6.331867 23.96553 11.38333 19.05646       13.02585 
1 1 1 -60 14 13 o 28.89319 6.481030 133.5414       57.89918 172.9650       62.25499 -118.9768      157.5588 35.56409 7.472839 22.22229 10.59111 13.34181       12.96206 
1 1 1 -60 14 14 o 32.61759 7.588781 34.13606       56.72743 -18.93231      60.53926 416.1808       162.4338 16.06926 7.269371 49.16592 13.32346 -33.09666      15.17756 
1 1 1 -60 14 15 o 61.67854 6.501490 500.9866       66.97409 475.4788       72.46420 650.4462       175.4078 60.84807 4.922371 62.50901 12.03527 -1.660938      13.00298 
1 1 1 -60 14 16 o 19.93459 6.730186 -18.87440      59.76272 -20.67922      63.76139 -5.823915      171.4566 15.90333 7.295770 23.96585 11.31165 -8.062518      13.46037 
1 1 1 -60 16 3  o 60.95565 6.734507 573.9632       64.39914 606.3116       70.35825 406.9007       159.8925 70.02126 4.153200 51.89005 12.81270 18.13122       13.46901 
1 1 1 -60 16 4  o 25.23085 7.368332 44.64160       54.56000 38.16554       58.95096 83.31945       144.0677 20.60873 8.092231 29.85297 12.31605 -9.244232      14.73666 
1 1 1 -60 16 5  o 42.86058 7.088486 296.8941       57.63161 317.7590       62.24007 171.4456       152.6142 50.43070 5.101204 35.29047 13.22740 15.14023       14.17697 
1 1 1 -60 16 6  o 42.96649 8.165026 197.6822       67.86657 158.2084       73.62809 420.7020       175.0093 33.87338 8.876933 52.05960 13.70659 -18.18622      16.33005 
1 1 1 -60 16 7  o 53.21161 7.103070 362.7852       72.94195 341.0990       81.46631 450.4462       163.7907 51.67234 6.516548 54.75089 12.62335 -3.078548      14.20614 
1 1 1 -60 16 8  o 19.13532 6.635485 -93.38080      52.90523 -102.8752      55.96296 -13.55146      162.2742 11.80224 5.784068 26.46840 11.94417 -14.66616      13.27097 
1 1 1 -60 16 9  f 35.97607 7.821794 177.1894       56.83479 176.7726       60.09079 180.7258       175.0349 36.39284 7.079638 35.55930 13.94993 0.8335419      15.64359 
1 1 1 -60 16 10 o 30.78993 6.813738 153.5113       59.87505 186.4407       63.89359 -83.84296      171.5393 37.14912 7.369157 24.43075 11.46314 12.71837       13.62748 
1 1 1 -60 16 11 o 30.16212 7.676501 123.5683       57.90586 127.8617       61.52684 90.27959       171.3217 30.19141 8.207639 30.13284 12.97495 0.5857468E-01  15.35300 
1 1 1 -60 16 12 o 22.32642 7.100136 21.43794       60.04931 32.62930       63.80849 -65.23498      177.5737 20.07773 8.229593 24.57512 11.57245 -4.497385      14.20027 
1 1 1 -60 16 13 o 29.11989 8.096299 85.15472       58.10284 65.09024       61.80283 237.8346       170.4847 22.60212 8.428087 35.63766 13.82634 -13.03554      16.19260 
1 1 1 -60 16 14 o 34.12661 7.486197 203.1570       62.11949 211.4341       66.20904 142.2962       179.5337 38.53205 7.370776 29.72117 13.03243 8.810883       14.97239 
1 1 1 -60 18 7  o 21.55534 7.012574 -26.64828      78.45854 5.626413       90.12519 -127.6621      159.4430 21.01178 9.223074 22.09890 10.56597 -1.087118      14.02515 
1 1 1 -60 18 8  o 30.50144 8.522722 126.6888       85.85537 134.0869       97.43660 100.9994       181.5685 30.33355 10.68448 30.66934 13.28115 -0.3357925     17.04544 
1 1 1 -60 18 9  o 23.91153 7.252455 47.15994       68.67912 77.37652       73.57130 -157.6443      191.5381 24.61001 9.191879 23.21306 11.22060 1.396955       14.50491 
1 1 1 -60 18 10 o 25.87794 6.624083 91.71410       53.79752 72.60121       75.37556 111.5598       76.80699 24.06671 9.231934 27.68918 9.501857 -3.622477      13.24817 
1 1 1 -60 18 11 o 20.40863 6.097049 16.68524       54.81383 72.24929       77.80916 -38.05614      77.23100 23.86975 9.318468 16.94752 7.865251 6.922232       12.19410 
1 1 1 -60 18 12 o 25.82484 6.588655 97.69747       55.33001 54.19598       81.05874 135.6490       75.71155 22.29596 9.221614 29.35371 9.412936 -7.057745      13.17731 
1 1 1 -59 1  1  o 159.4225 3.263643 3017.924       106.4538 2949.525       120.9636 3252.826       224.1673 155.8487 3.208111 162.9964 5.684494 -7.147720      6.527285 
1 1 1 -59 1  2  o 97.35520 3.183754 1122.204       64.39401 1092.697       73.61768 1218.323       132.8672 94.87350 3.207266 99.83691 5.500782 -4.963409      6.367507 
1 1 1 -59 1  3  o 148.3915 3.160214 2693.649       98.10410 2706.431       113.3764 2655.562       195.7144 149.3377 3.137985 147.4453 5.486424 1.892365       6.320427 
1 1 1 -59 1  4  o 170.3369 3.300588 3612.230       119.1670 3701.665       139.3967 3369.423       229.6832 174.6306 3.299361 166.0432 5.717495 8.587448       6.601177 
1 1 1 -59 1  5  o 26.71268 5.871607 93.76373       42.31219 115.4809       48.66330 26.47234       85.66033 30.09284 6.839177 23.33251 9.546138 6.760328       11.74321 
1 1 1 -59 1  6  o 69.81618 3.412615 550.1882       49.37352 513.1888       55.91510 681.1422       105.1940 65.00098 3.555551 74.63136 5.825960 -9.630379      6.825229 
1 1 1 -59 1  7  o 119.2511 2.577657 1726.891       74.34324 1680.557       103.5360 1776.207       106.8151 117.6019 3.638938 120.9003 3.651766 -3.298462      5.155314 
1 1 1 -59 1  8  o 46.51840 3.790450 265.7907       42.01720 325.2225       60.39095 210.0284       58.49689 51.62845 4.834821 41.40836 5.839054 10.22010       7.580900 
1 1 1 -59 1  9  o 21.39132 5.334395 42.64260       37.13495 81.31097       52.36056 3.509372       52.67435 25.52993 7.776675 17.25270 7.303863 8.277225       10.66879 
1 1 1 -59 1  10 o 71.02761 2.859835 613.8107       49.06400 665.2791       70.86824 566.4312       67.99487 73.89269 3.964129 68.16253 4.123141 5.730164       5.719669 
1 1 1 -59 1  11 o 56.55162 3.200800 391.0854       43.72797 419.0294       62.28761 363.9293       61.40326 58.56092 4.396342 54.54232 4.653241 4.018597       6.401599 
1 1 1 -59 1  12 o 32.50137 5.098074 136.7888       40.23874 94.90775       57.80738 176.1562       56.04583 27.26316 8.141463 37.73957 6.138242 -10.47641      10.19615 
1 1 1 -59 1  13 o 17.45375 5.218763 -0.4952619     39.14238 -28.00409      55.10872 27.51227       55.60601 15.29349 6.925484 19.61401 7.808944 -4.320518      10.43753 
1 1 1 -59 1  14 o 22.41986 5.426840 43.25853       40.68995 106.9484       58.71583 -15.59012      56.44016 28.58410 8.113148 16.25562 7.209662 12.32848       10.85368 
1 1 1 -59 1  15 o 33.60331 5.439341 150.3389       46.32354 76.34571       66.08527 221.8164       64.95219 25.19366 8.804102 42.01295 6.390110 -16.81929      10.87868 
1 1 1 -59 1  16 o 30.99391 6.062396 129.9022       47.55405 155.0883       67.44807 105.0075       67.05679 33.86393 8.297518 28.12389 8.840914 5.740047       12.12479 
1 1 1 -59 1  17 o 30.12443 6.393315 123.5361       50.82345 97.99437       69.58787 152.7357       74.40404 27.15423 9.045220 33.09463 9.037805 -5.940403      12.78663 
1 1 1 -59 1  18 o 47.36789 4.961721 299.4966       54.19975 372.5978       77.70161 230.2229       75.64001 53.83308 5.965935 40.90271 7.929837 12.93037       9.923442 
1 1 1 -59 1  19 o 22.14972 6.386860 39.00688       56.55055 -8.542744      79.29673 88.21778       80.67007 18.75840 8.417162 25.54105 9.608294 -6.782650      12.77372 
1 1 1 -59 3  1  o 130.7101 3.107975 2134.528       85.70128 2192.507       100.0715 1975.015       165.9875 134.3758 3.078129 127.0445 5.400293 7.331337       6.215951 
1 1 1 -59 3  2  o 124.7006 3.117811 1950.685       81.59194 2012.056       95.12850 1779.893       158.6940 128.7498 3.053949 120.6515 5.436577 8.098335       6.235622 
1 1 1 -59 3  3  o 235.2795 3.920449 6947.507       199.0428 7185.574       235.9089 6359.310       370.8144 243.0491 4.011880 227.5100 6.736803 15.53912       7.840899 
1 1 1 -59 3  4  o 140.9918 3.113146 2480.315       92.82426 2548.294       108.5272 2295.063       179.1565 144.9090 3.095570 137.0745 5.402236 7.834503       6.226292 
1 1 1 -59 3  5  o 15.91602 5.228387 -65.40825      40.36366 -84.83334      46.34739 -4.412849      82.12820 10.98079 5.356040 20.85124 8.980923 -9.870456      10.45677 
1 1 1 -59 3  6  o 105.5348 3.171611 1433.826       69.53775 1518.846       81.33538 1202.855       134.0592 111.8798 3.004869 99.18979 5.586342 12.69000       6.343221 
1 1 1 -59 3  7  o 89.96995 3.194243 982.7910       69.52929 982.7910       69.52929 0.000000       0.000000 89.96995 3.194243 ?        ?        ?              ?        
1 1 1 -59 3  8  o 29.26035 6.283598 97.02501       43.31480 85.10856       49.85260 133.7299       87.49362 25.95481 7.510372 32.56589 10.07615 -6.611082      12.56720 
1 1 1 -59 3  9  o 134.2370 3.124475 2300.424       88.98130 2426.782       105.0608 1979.774       167.3614 141.3512 3.072125 127.1227 5.441638 14.22845       6.248950 
1 1 1 -59 3  10 o 57.69563 4.195809 442.9942       48.67604 475.9310       56.44305 347.4122       96.15195 62.51509 3.731842 52.87616 7.516157 9.638935       8.391619 
1 1 1 -59 3  11 o 25.57201 6.333385 59.35163       42.51517 42.24685       48.42234 116.9066       88.82360 20.38390 7.486095 30.76011 10.21790 -10.37621      12.66677 
1 1 1 -59 3  12 o 51.98265 3.549426 332.8576       44.46408 365.3418       62.76136 300.1230       63.00274 54.57707 4.753131 49.38823 5.272707 5.188839       7.098852 
1 1 1 -59 3  13 f 34.14553 5.258139 151.8586       42.25536 135.0206       59.43731 169.0650       60.08416 32.12318 7.739404 36.16788 7.119953 -4.044701      10.51628 
1 1 1 -59 3  14 o 46.29279 4.248039 271.0539       46.42928 205.6047       65.84432 335.7789       65.47903 40.47776 6.723565 52.10783 5.193941 -11.63008      8.496078 
1 1 1 -59 3  15 o 61.49545 3.513457 469.6805       52.13885 438.0780       74.44631 500.1042       73.04460 59.39679 5.180574 63.59412 4.747543 -4.197327      7.026914 
1 1 1 -59 3  16 o 57.88662 3.897958 420.4430       54.51144 443.3168       76.81798 397.2412       77.36659 59.53902 5.332844 56.23423 5.686571 3.304794       7.795917 
1 1 1 -59 3  17 o 15.26035 5.059536 -59.43709      47.52691 -83.42644      68.42494 -37.07490      66.06363 14.39378 6.892564 16.12692 7.408655 -1.733137      10.11907 
1 1 1 -59 3  18 f 20.77021 5.688204 15.92117       48.77717 97.74220       67.11780 -75.66277      71.00925 26.63276 8.883796 14.90766 7.106395 11.72510       11.37641 
1 1 1 -59 3  19 o 39.96913 6.042840 234.5863       57.88461 285.6068       80.28652 179.3572       83.53231 45.78317 7.248272 34.15508 9.670895 11.62809       12.08568 
1 1 1 -59 5  1  o 88.38943 3.395635 985.3834       60.41039 1011.977       69.05155 898.6318       124.7176 91.26820 3.127171 85.51066 6.028444 5.757545       6.791269 
1 1 1 -59 5  2  o 40.66481 5.758841 231.3512       44.99942 247.6814       50.65762 170.2558       97.98373 45.05180 4.647617 36.27782 10.53834 8.773979       11.51768 
1 1 1 -59 5  3  o 71.44769 3.511941 625.1427       52.78644 626.9891       61.15947 619.7502       104.5190 71.82246 3.519663 71.07291 6.078395 0.7495499      7.023882 
1 1 1 -59 5  4  o 196.9279 3.557015 4869.236       149.1925 5030.139       175.4184 4448.542       283.6454 203.4344 3.564086 190.4212 6.156843 13.01320       7.114030 
1 1 1 -59 5  5  o 134.1543 3.170424 2242.843       88.25284 2292.268       102.0624 2096.371       175.6983 137.4150 3.069936 130.8935 5.548138 6.521576       6.340847 
1 1 1 -59 5  6  o 35.69022 5.559904 215.9005       45.65545 268.2443       51.50631 23.97383       98.62691 46.90566 4.538715 24.47477 10.15136 22.43089       11.11981 
1 1 1 -59 5  7  o 69.40437 3.946218 558.9775       60.38340 518.7497       70.81487 666.1511       115.5860 65.22164 4.487768 73.58709 6.492342 -8.365448      7.892437 
1 1 1 -59 5  8  o 53.88506 4.379820 356.6023       47.92471 356.2213       54.59242 357.8822       100.0703 54.06234 4.173834 53.70779 7.701325 0.3545456      8.759641 
1 1 1 -59 5  9  o 48.38045 5.346797 326.7935       47.82462 351.2749       54.40412 243.5455       100.3230 53.66503 4.190233 43.09586 9.838440 10.56917       10.69359 
1 1 1 -59 5  10 o 141.5002 3.217811 2524.062       95.22733 2605.605       110.8931 2295.063       185.8358 146.3878 3.131105 136.6127 5.622581 9.775009       6.435623 
1 1 1 -59 5  11 o 29.02178 6.274127 110.0427       44.08926 118.8419       49.61951 77.03748       96.09992 30.34315 6.913345 27.70042 10.47207 2.642733       12.54825 
1 1 1 -59 5  12 o 36.19791 6.324313 162.8080       47.64674 155.7423       53.73046 188.8162       103.0858 34.84702 6.615080 37.54880 10.78093 -2.701782      12.64863 
1 1 1 -59 5  13 o 60.07046 4.220066 389.1002       51.53143 345.8384       57.50821 565.3777       116.0850 53.06624 4.479290 67.07468 7.153446 -14.00845      8.440132 
1 1 1 -59 5  14 o 80.34062 4.095004 854.4780       63.07707 892.2565       71.30984 718.6199       135.2289 85.43191 3.450063 75.24934 7.427874 10.18256       8.190008 
1 1 1 -59 5  15 o 27.36029 6.107447 93.89433       46.02776 130.6071       69.06893 64.56584       61.73320 31.11881 8.787843 23.60176 8.483952 7.517050       12.21489 
1 1 1 -59 5  16 o 39.63188 5.355314 215.2917       49.80667 329.4628       71.21101 105.9512       69.68822 51.11967 5.757803 28.14409 9.031348 22.97558       10.71063 
1 1 1 -59 5  17 o 22.83519 6.109004 48.20627       49.97314 98.52105       69.85592 -4.532443      71.51880 27.04961 9.063220 18.62076 8.193762 8.428852       12.21801 
1 1 1 -59 5  18 o 40.66411 5.757010 234.2023       55.12038 278.5515       75.56387 183.7673       80.58186 45.92500 6.800842 35.40322 9.290920 10.52178       11.51402 
1 1 1 -59 5  19 o 22.05464 6.357183 38.30062       56.07058 -12.00218      76.16495 97.81747       82.84743 18.04873 8.160287 26.06055 9.750119 -8.011824      12.71437 
1 1 1 -59 7  1  o 18.52412 5.911654 -14.27115      41.99661 -11.65862      45.78833 -28.11422      105.4000 14.87042 6.549443 22.17782 9.843545 -7.307402      11.82331 
1 1 1 -59 7  2  o 140.8388 3.323888 2468.041       95.30874 2507.031       109.1254 2342.653       195.6955 143.6276 3.140404 138.0501 5.859248 5.577530       6.647776 
1 1 1 -59 7  3  o 112.4517 3.336377 1630.475       75.59612 1708.806       86.97364 1388.459       152.8775 118.6087 3.030881 106.2947 5.944695 12.31393       6.672754 
1 1 1 -59 7  4  o 38.98546 5.819249 199.0347       44.77417 204.1104       50.32920 179.7739       98.04070 40.84565 5.092979 37.12527 10.46500 3.720375       11.63850 
1 1 1 -59 7  5  o 76.04402 3.826373 739.7852       55.35048 760.9958       62.06393 657.3468       122.3565 79.13359 3.241724 72.95446 6.932226 6.179131       7.652747 
1 1 1 -59 7  6  o 123.2369 3.165474 1793.147       78.14561 1747.698       87.97524 1963.117       170.1313 119.9523 3.031446 126.5215 5.557990 -6.569191      6.330949 
1 1 1 -59 7  7  o 18.83027 5.723311 3.440455       44.70187 31.90155       49.50714 -122.1892      104.0131 19.41445 7.473391 18.24609 8.670270 1.168365       11.44662 
1 1 1 -59 7  8  o 36.15220 6.479101 150.5375       45.97512 139.7405       50.47724 203.0934       111.3662 33.09064 6.536907 39.21376 11.18856 -6.123116      12.95820 
1 1 1 -59 7  9  o 149.9616 3.317799 2706.907       100.9618 2669.277       114.5787 2837.597       213.5286 148.1393 3.196918 151.7839 5.814711 -3.644592      6.635597 
1 1 1 -59 7  10 o 96.22543 3.381682 1045.604       63.68120 988.3667       70.65746 1293.278       146.9797 90.11176 3.240964 102.3391 5.936266 -12.22736      6.763365 
1 1 1 -59 7  11 o 24.02139 6.470286 59.43776       46.30026 73.15157       50.69430 -9.540750      113.6939 24.24633 7.694699 23.79646 10.40433 0.4498768      12.94057 
1 1 1 -59 7  12 o 84.21748 3.820899 882.7308       63.50954 887.6012       71.68667 864.9614       136.9288 85.28101 3.474432 83.15395 6.806276 2.127052       7.641798 
1 1 1 -59 7  13 o 28.83900 6.787165 55.11834       47.77330 21.05211       52.73017 211.1838       112.8627 18.55983 7.529143 39.11816 11.29489 -20.55833      13.57433 
1 1 1 -59 7  14 o 34.86138 6.861086 153.9634       51.29557 146.8046       57.25035 183.1053       115.5097 33.38034 7.292933 36.34242 11.62373 -2.962086      13.72217 
1 1 1 -59 7  15 o 26.26117 6.975514 80.34238       53.03835 90.91801       58.23553 28.89946       128.4392 26.29986 8.234262 26.22249 11.26180 0.7737541E-01  13.95103 
1 1 1 -59 7  16 o 25.20302 7.324996 27.56029       55.14917 6.341968       60.22950 137.6562       137.1953 18.03170 7.727114 32.37434 12.44645 -14.34264      14.64999 
1 1 1 -59 7  17 o 28.09420 7.259603 102.9435       55.23247 106.6446       60.39616 84.03331       136.5184 27.70161 8.332967 28.48679 11.88987 -0.7851734     14.51921 
1 1 1 -59 7  18 o 25.76820 6.143055 77.07624       53.61282 163.9260       75.51099 -11.20974      76.13277 33.21180 9.119300 18.32461 8.233278 14.88719       12.28611 
1 1 1 -59 7  19 o 18.59872 6.113283 -41.23098      61.84821 -74.40614      75.82175 24.73528       106.9174 15.09619 7.235941 22.10125 9.855458 -7.005058      12.22657 
1 1 1 -59 9  1  o 104.9921 3.314443 1351.537       70.35119 1352.223       80.00536 1349.197       147.7310 105.4219 3.136793 104.5623 5.839747 0.8595810      6.628885 
1 1 1 -59 9  2  o 36.92382 6.432094 177.8459       47.11763 181.3023       51.68882 160.8566       114.5969 38.38371 5.566054 35.46394 11.59769 2.919769       12.86419 
1 1 1 -59 9  3  o 31.94737 6.753422 123.1669       46.30635 121.2151       50.68742 133.0161       113.8620 30.67142 6.986762 33.22332 11.55941 -2.551895      13.50684 
1 1 1 -59 9  4  f 21.71346 6.368713 22.31078       43.15081 19.90776       47.33307 34.13445       104.9934 17.87459 7.174553 25.55233 10.52463 -7.677736      12.73743 
1 1 1 -59 9  5  o 66.64194 4.425020 590.0200       53.32663 614.5243       59.20674 484.7115       122.7388 71.05458 3.444108 62.22930 8.152381 8.825279       8.850039 
1 1 1 -59 9  6  o 147.9734 3.329733 2742.920       101.1540 2802.644       116.4396 2559.191       204.2298 151.8061 3.170365 144.1408 5.856388 7.665298       6.659467 
1 1 1 -59 9  7  o 52.55781 5.593695 353.3060       53.09351 354.9463       58.92115 346.2225       122.4416 53.86478 4.521307 51.25084 10.23306 2.613949       11.18739 
1 1 1 -59 9  8  o 42.37815 6.147722 198.5020       48.63123 180.6961       53.18954 289.2326       120.0663 38.28232 5.742826 46.47397 10.87189 -8.191650      12.29544 
1 1 1 -59 9  9  o 111.3087 3.477857 1556.459       75.53547 1582.243       85.13120 1461.035       163.7713 114.0283 3.085842 108.5892 6.233743 5.439156       6.955715 
1 1 1 -59 9  10 o 49.08321 6.337836 371.5962       52.06538 400.9423       57.14912 228.3165       126.2778 57.24100 4.126673 40.92542 11.98512 16.31557       12.67567 
1 1 1 -59 9  11 o 94.16028 4.066010 1140.784       69.50592 1164.231       76.79869 1034.622       163.4182 97.71574 3.248531 90.60483 7.454984 7.110909       8.132020 
1 1 1 -59 9  12 o 22.44259 6.806140 9.460987       48.98594 1.579134       53.18668 53.52766       125.7604 16.97215 7.266864 27.91304 11.51029 -10.94089      13.61228 
1 1 1 -59 9  13 o 46.41995 6.667870 270.9177       53.67722 263.4983       58.07099 314.4557       140.6728 46.06208 5.210907 46.77782 12.27552 -0.7157364     13.33574 
1 1 1 -59 9  14 o 63.21263 5.139096 483.4284       58.54137 469.1368       63.86459 558.5961       146.4653 61.63135 4.283079 64.79391 9.343257 -3.162567      10.27819 
1 1 1 -59 9  15 o 35.85557 6.399735 222.2823       55.54308 259.5555       60.35480 16.08566       141.9560 45.40556 5.494149 26.30558 11.56031 19.09998       12.79947 
1 1 1 -59 9  16 o 23.15155 7.157811 25.88921       56.33158 25.96692       60.65400 25.40154       151.9433 19.48223 8.008956 26.82088 11.86565 -7.338650      14.31562 
1 1 1 -59 9  17 o 21.50997 6.956328 -20.75481      58.08512 -37.32809      63.27256 68.06663       146.4772 15.46168 7.155647 27.55826 11.93142 -12.09658      13.91266 
1 1 1 -59 9  18 o 20.88017 6.602874 19.05567       59.84713 38.21640       65.43038 -79.06008      148.0617 20.25626 8.321708 21.50409 10.25383 -1.247833      13.20575 
1 1 1 -59 11 1  o 50.59066 6.232674 350.8714       52.17602 359.5810       56.77116 303.5098       132.3857 54.16416 4.332250 47.01717 11.68831 7.146992       12.46535 
1 1 1 -59 11 2  o 37.06327 6.387164 213.7475       51.08391 241.5967       56.31086 84.28317       121.4117 44.28362 5.255895 29.84292 11.64298 14.44071       12.77433 
1 1 1 -59 11 3  o 46.12404 6.289656 339.8663       52.14055 378.5800       57.98037 176.2046       119.2125 55.61103 4.309409 36.63704 11.81813 18.97399       12.57931 
1 1 1 -59 11 4  o 95.71234 3.871455 1206.718       69.34496 1258.387       77.72963 1005.235       153.4933 101.6727 3.159947 89.75195 7.068761 11.92078       7.742909 
1 1 1 -59 11 5  o 56.49305 5.446730 442.1540       54.18307 465.8159       60.61073 348.0071       120.9003 61.73411 4.058093 51.25198 10.10937 10.48213       10.89346 
1 1 1 -59 11 6  o 86.42215 3.936476 926.5275       63.94598 929.6912       70.98598 912.9091       147.2794 87.35107 3.358939 85.49323 7.120458 1.857841       7.872953 
1 1 1 -59 11 7  o 90.17215 3.936359 986.1303       67.20817 975.4885       74.50735 1032.600       155.6952 89.44937 3.442861 90.89493 7.079999 -1.445557      7.872718 
1 1 1 -59 11 8  o 78.85920 4.502333 796.2529       62.27314 807.4802       68.12569 739.2028       153.5686 81.36288 3.460846 76.35552 8.313035 5.007355       9.004666 
1 1 1 -59 11 9  o 69.38617 4.873152 645.0599       59.16302 667.1334       65.09044 540.1547       141.8994 73.89819 3.640668 64.87415 9.040794 9.024040       9.746304 
1 1 1 -59 11 10 o 45.85400 6.814852 313.8760       53.46571 329.6137       57.81567 220.9399       140.4969 51.75268 4.617537 39.95531 12.82370 11.79737       13.62970 
1 1 1 -59 11 11 o 48.74225 7.195768 382.2857       56.48140 404.5217       60.36434 225.9370       160.0659 57.33863 4.351418 40.14587 13.71793 17.19276       14.39154 
1 1 1 -59 11 12 o 49.20885 7.032393 394.9579       57.65916 423.0665       62.33265 228.3165       151.7706 58.56173 4.399460 39.85597 13.35900 18.70576       14.06479 
1 1 1 -59 11 13 f 44.73379 7.262784 248.9671       58.76352 236.7637       63.51635 321.4753       154.8244 43.31962 6.060363 46.14795 13.20091 -2.828335      14.52557 
1 1 1 -59 11 14 o 28.74457 7.036458 114.9121       56.43662 134.2557       61.35412 8.546103       143.8722 31.38395 8.043404 26.10519 11.54776 5.278761       14.07292 
1 1 1 -59 11 15 o 37.82380 7.792519 183.9227       57.10462 173.1220       61.04940 259.4884       161.4793 35.79753 7.296503 39.85006 13.77151 -4.052525      15.58504 
1 1 1 -59 11 16 o 30.01346 6.888733 145.2457       58.01975 170.1446       62.11952 -24.92564      162.3985 35.05040 7.548501 24.97652 11.52557 10.07388       13.77747 
1 1 1 -59 11 17 o 36.64047 8.054150 138.2660       60.98219 92.15047       65.74549 422.3676       163.1846 25.38100 8.786399 47.89994 13.50098 -22.51894      16.10830 
1 1 1 -59 11 18 o 19.39795 6.353627 -2.665037      61.84780 23.16741       67.00583 -151.3385      160.7484 18.86222 8.118179 19.93367 9.775963 -1.071447      12.70725 
1 1 1 -59 13 1  o 49.29353 6.112781 303.6671       54.33522 295.7673       59.76059 341.3445       130.5109 48.90349 5.050946 49.68356 11.13339 -0.7800636     12.22556 
1 1 1 -59 13 2  o 19.44311 6.404321 -98.99607      48.36134 -123.7692      52.12779 54.08685       129.5812 10.61631 5.272210 28.26990 11.67326 -17.65359      12.80864 
1 1 1 -59 13 3  o 40.75194 7.029591 224.1722       53.78084 227.8008       58.15490 202.7365       141.3471 42.86055 5.608237 38.64333 12.89218 4.217224       14.05918 
1 1 1 -59 13 4  o 69.30515 4.850929 654.6302       60.55411 686.3010       67.37748 521.5943       138.0924 74.91771 3.717303 63.69258 8.961457 11.22512       9.701859 
1 1 1 -59 13 5  o 73.40826 4.926917 702.7920       61.65927 714.8588       67.13292 637.7156       155.9017 76.48055 3.628125 70.33599 9.161591 6.144554       9.853833 
1 1 1 -59 13 6  o 31.06858 7.189090 110.6471       49.04062 105.7065       53.06549 139.5598       128.3707 28.41696 7.579098 33.72020 12.21840 -5.303240      14.37818 
1 1 1 -59 13 7  o 66.83827 5.289292 602.5480       59.57886 619.9352       64.96426 510.5294       149.4505 71.17241 3.772772 62.50413 9.882946 8.668282       10.57858 
1 1 1 -59 13 8  o 27.62209 7.170108 92.38188       53.53844 108.6041       56.70189 -40.95182      162.5594 28.72413 7.908625 26.52005 11.96225 2.204082       14.34022 
1 1 1 -59 13 9  o 27.53849 7.340528 85.48777       54.57538 95.22997       58.40863 18.48899       153.1729 27.03208 8.208933 28.04490 12.17156 -1.012825      14.68106 
1 1 1 -59 13 10 o 61.24726 7.019700 619.1584       63.07180 664.1657       68.24537 355.6217       165.1401 73.55113 3.835143 48.94339 13.50542 24.60775       14.03940 
1 1 1 -59 13 11 o 30.69957 7.370524 128.6799       55.84666 141.8072       59.26186 24.53302       166.9211 32.58679 7.648087 28.81236 12.60180 3.774431       14.74105 
1 1 1 -59 13 12 f 23.60422 6.936926 46.81060       56.63045 71.32664       59.93709 -157.1684      172.8873 24.05075 8.385698 23.15769 11.05277 0.8930569      13.87385 
1 1 1 -59 13 13 o 28.01142 7.634451 88.26145       58.12640 88.93073       62.66886 84.14040       155.5087 25.95359 8.580841 30.06926 12.62967 -4.115669      15.26890 
1 1 1 -59 13 14 o 27.84711 7.190431 -26.33972      54.07655 -77.94875      58.25964 294.8245       145.3344 13.00675 6.262383 42.68747 12.94572 -29.68072      14.38086 
1 1 1 -59 13 15 o 24.04731 6.596189 70.12359       57.02985 104.7159       60.65048 -193.9322      167.5686 27.21202 8.384243 20.88260 10.18544 6.329426       13.19238 
1 1 1 -59 13 16 o 28.16315 8.130144 90.66576       61.63474 79.96106       65.23658 179.6550       188.0930 24.09976 8.713592 32.22654 13.72845 -8.126781      16.26029 
1 1 1 -59 13 17 o 32.83739 7.680089 187.3629       62.85897 188.8542       67.14986 176.7995       178.7113 35.54583 8.001256 30.12894 13.11163 5.416893       15.36018 
1 1 1 -59 15 1  o 41.49874 7.182443 233.5210       55.48205 233.6138       59.87015 232.9566       147.6426 43.15240 5.734599 39.84509 13.17058 3.307316       14.36489 
1 1 1 -59 15 2  o 55.62044 7.046850 470.2301       61.22817 490.7797       66.12957 346.8174       162.0594 63.06507 4.334156 48.17581 13.41072 14.88926       14.09370 
1 1 1 -59 15 3  o 53.01664 6.689230 373.1165       56.48690 372.0163       60.68671 380.2498       154.5296 54.86737 4.571694 51.16590 12.57310 3.701462       13.37846 
1 1 1 -59 15 4  o 51.22182 6.935225 368.4198       57.34497 374.5269       61.73923 330.0417       154.7699 55.04711 4.635798 47.39655 13.07282 7.650562       13.87045 
1 1 1 -59 15 5  o 57.95109 6.795735 548.2307       58.96993 588.0397       63.90474 319.9286       153.0373 69.21429 3.816234 46.68789 13.04471 22.52641       13.59147 
1 1 1 -59 15 6  o 31.06711 6.231003 158.3052       52.34634 191.8074       54.74280 -199.4051      178.8776 39.15421 5.778914 22.98000 11.04109 16.17421       12.46201 
1 1 1 -59 15 7  o 29.82553 7.810344 91.07608       54.14016 85.11781       57.60165 136.2284       158.5679 25.68634 8.207552 33.96471 13.29067 -8.278376      15.62069 
1 1 1 -59 15 8  o 40.01586 7.522965 226.9889       56.12062 232.0144       59.48691 186.3177       169.2292 43.01755 5.715753 37.01418 13.91798 6.003372       15.04593 
1 1 1 -59 15 9  o 36.26461 7.327152 194.8746       56.42285 206.9012       59.80303 97.41821       170.2382 40.46810 6.108128 32.06112 13.32064 8.406982       14.65430 
1 1 1 -59 15 10 o 129.5817 4.044242 2116.265       95.29211 2116.446       104.8581 2115.407       228.3581 131.3510 3.299636 127.8123 7.384848 3.538765       8.088485 
1 1 1 -59 15 11 o 100.9695 4.639689 1285.342       80.27522 1275.613       87.02399 1340.869       207.9032 101.7859 3.533858 100.1532 8.580134 1.632736       9.279378 
1 1 1 -59 15 12 o 25.38187 7.699406 29.86310       58.08347 17.17012       62.01133 120.6425       165.8376 18.94687 7.967603 31.81688 13.17728 -12.87000      15.39881 
1 1 1 -59 15 13 o 64.98709 6.496017 595.8608       65.51871 598.3649       70.69244 580.6068       174.4738 69.18890 4.223128 60.78529 12.28650 8.403618       12.99203 
1 1 1 -59 15 14 o 23.72847 7.492095 -34.10004      55.55396 -62.70436      58.91664 195.2409       166.8257 13.58045 6.473543 33.87650 13.51367 -20.29606      14.98419 
1 1 1 -59 15 15 o 80.60362 6.053035 946.8384       74.85551 953.7551       80.34740 901.3682       206.0084 87.09931 3.812895 74.10793 11.48994 12.99138       12.10607 
1 1 1 -59 17 3  o 50.11819 7.724105 407.1718       90.94278 501.9631       111.5480 219.2743       157.0501 62.13322 7.420545 38.10315 13.54927 24.03007       15.44821 
1 1 1 -59 17 4  o 52.54524 7.228349 445.3741       57.71883 465.5946       61.65061 301.8441       164.2531 61.33624 4.154491 43.75424 13.84689 17.58200       14.45670 
1 1 1 -59 17 5  o 29.99876 7.874715 102.9547       65.24526 91.32822       73.34315 147.0553       142.8430 26.66973 9.277498 33.32779 12.72685 -6.658058      15.74943 
1 1 1 -59 17 6  o 22.40579 5.408370 45.36898       45.97963 -90.68630      78.73339 115.7853       56.64192 15.58946 7.445633 29.22212 7.846299 -13.63266      10.81674 
1 1 1 -59 17 7  o 21.39079 6.090174 37.70376       48.30819 28.58978       73.39136 44.67128       64.16971 21.17900 8.768359 21.60258 8.454392 -0.4235821     12.18035 
1 1 1 -59 17 8  o 69.38965 3.489529 599.3824       58.37833 652.4086       87.08373 556.1031       78.67416 72.13199 4.990072 66.64730 4.879184 5.484688       6.979059 
1 1 1 -59 17 9  f 17.13835 5.404030 -18.69515      46.84035 -65.28022      73.96822 12.49183       60.52134 15.84230 7.462824 18.43441 7.817955 -2.592111      10.80806 
1 1 1 -59 17 10 o 49.30237 4.589250 311.0159       54.36208 360.3725       82.62611 273.3438       72.18630 52.70941 6.479281 45.89532 6.501058 6.814091       9.178499 
1 1 1 -59 17 11 o 26.66642 6.446276 97.25601       49.49203 107.5940       76.44429 89.79560       64.93925 27.67660 9.479958 25.65624 8.737750 2.020355       12.89255 
1 1 1 -59 17 12 o 31.69812 6.525448 175.5704       59.37201 208.7426       62.95360 -91.32659      178.5688 39.70640 6.553266 23.68984 11.28630 16.01656       13.05090 
1 1 1 -59 17 13 o 42.95052 8.140126 196.3515       58.98249 158.8718       62.18565 532.3022       186.1786 33.14726 7.871470 52.75379 14.25084 -19.60653      16.28025 
1 1 1 -59 17 14 o 27.93107 7.444394 125.8747       60.46936 134.9098       63.63727 41.84414       194.0720 29.67903 8.454123 26.18311 12.25577 3.495916       14.88879 
1 1 1 -59 19 8  o 21.75735 7.197142 -25.49527      77.27414 -10.68531      85.36018 -92.74242      181.8927 19.44435 8.728439 24.07035 11.44595 -4.625996      14.39428 
1 1 1 -59 19 9  o 30.24782 8.707610 48.99185       84.44880 -18.22725      94.03761 329.0898       191.9598 19.79454 8.996311 40.70111 14.91162 -20.90657      17.41522 
1 1 1 -59 19 10 o 52.56334 8.510835 492.3262       100.3050 526.7103       117.2446 398.4533       193.7243 61.44921 7.886315 43.67746 15.08454 17.77176       17.02167 
1 1 1 -59 19 11 o 31.22276 8.699306 158.0059       86.20847 143.1291       97.66936 210.4700       183.4147 29.64744 10.66982 32.79807 13.74288 -3.150627      17.39861 
1 1 1 -59 19 12 o 26.21595 7.391312 108.1765       76.12625 147.1249       83.02602 -97.37063      190.7327 29.80526 9.877757 22.62664 10.99799 7.178621       14.78262 
1 1 1 -58 0  1  o 67.02245 2.914987 550.9869       66.26639 550.9869       66.26639 550.9869       66.26639 67.02245 4.122415 67.02245 4.122415 0.000000       0.000000 
1 1 1 -58 0  2  o 160.2423 2.756043 3118.587       150.9036 3118.587       150.9036 3118.587       150.9036 160.2423 3.897634 160.2423 3.897634 0.000000       0.000000 
1 1 1 -58 0  3  o 151.6774 2.698576 2793.869       139.8464 2793.869       139.8464 2793.869       139.8464 151.6774 3.816363 151.6774 3.816363 0.000000       0.000000 
1 1 1 -58 0  4  o 18.79487 6.915486 63.02699       57.87684 63.02699       57.87684 63.02699       57.87684 18.79487 9.779974 18.79487 9.779974 0.000000       0.000000 
1 1 1 -58 0  5  o 12.27103 5.575511 1.445918       53.45943 1.445918       53.45943 1.445918       53.45943 12.27103 7.884964 12.27103 7.884964 0.000000       0.000000 
1 1 1 -58 0  6  o 144.2674 2.674856 2527.873       131.8289 2527.873       131.8289 2527.873       131.8289 144.2674 3.782818 144.2674 3.782818 0.000000       0.000000 
1 1 1 -58 0  7  o 12.39500 5.594942 4.180496       52.76239 4.180496       52.76239 4.180496       52.76239 12.39500 7.912442 12.39500 7.912442 0.000000       0.000000 
1 1 1 -58 0  8  o 64.16572 2.954586 505.7261       64.23504 505.7261       64.23504 505.7261       64.23504 64.16572 4.178416 64.16572 4.178416 0.000000       0.000000 
1 1 1 -58 0  9  o 16.38513 6.321197 46.34050       50.34730 46.34050       50.34730 46.34050       50.34730 16.38513 8.939523 16.38513 8.939523 0.000000       0.000000 
1 1 1 -58 0  10 o 88.28087 2.625105 950.3926       78.97337 950.3926       78.97337 950.3926       78.97337 88.28087 3.712459 88.28087 3.712459 0.000000       0.000000 
1 1 1 -58 0  11 o 55.42325 3.261337 381.0486       60.85968 381.0486       60.85968 381.0486       60.85968 55.42325 4.612227 55.42325 4.612227 0.000000       0.000000 
1 1 1 -58 0  12 o 61.72821 3.175059 470.6796       66.24287 470.6796       66.24287 470.6796       66.24287 61.72821 4.490211 61.72821 4.490211 0.000000       0.000000 
1 1 1 -58 0  13 o 57.23715 3.388594 407.3458       65.29105 407.3458       65.29105 407.3458       65.29105 57.23715 4.792196 57.23715 4.792196 0.000000       0.000000 
1 1 1 -58 0  14 o 17.47299 6.727894 54.20224       56.93326 54.20224       56.93326 54.20224       56.93326 17.47299 9.514679 17.47299 9.514679 0.000000       0.000000 
1 1 1 -58 0  15 o 63.06781 3.422731 494.4178       72.85754 494.4178       72.85754 494.4178       72.85754 63.06781 4.840472 63.06781 4.840472 0.000000       0.000000 
1 1 1 -58 0  16 o 22.39010 7.409178 93.12760       63.44915 93.12760       63.44915 93.12760       63.44915 22.39010 10.47816 22.39010 10.47816 0.000000       0.000000 
1 1 1 -58 0  17 o 77.75652 3.218117 748.5831       84.94487 748.5831       84.94487 748.5831       84.94487 77.75652 4.551104 77.75652 4.551104 0.000000       0.000000 
1 1 1 -58 0  18 o 12.25455 5.859637 -27.10438      72.22546 -27.10438      72.22546 -27.10438      72.22546 12.25455 8.286778 12.25455 8.286778 0.000000       0.000000 
1 1 1 -58 0  19 o 13.71070 6.375641 -1.917722      75.78793 -1.917722      75.78793 -1.917722      75.78793 13.71070 9.016518 13.71070 9.016518 0.000000       0.000000 
1 1 1 -58 2  1  o 101.0336 3.117827 1203.656       64.54995 1170.766       73.31429 1317.073       136.1442 98.22427 3.085088 103.8430 5.419006 -5.618729      6.235655 
1 1 1 -58 2  2  o 250.7237 4.154432 7612.456       215.1686 7547.343       246.4055 7821.535       441.5444 249.1541 4.087709 252.2932 7.233800 -3.139114      8.308865 
1 1 1 -58 2  3  o 106.3059 3.097765 1363.035       68.07799 1352.501       77.98097 1396.788       139.5881 105.5984 3.052313 107.0135 5.391473 -1.415123      6.195530 
1 1 1 -58 2  4  o 167.5013 3.282947 3457.763       116.0806 3505.055       135.0783 3324.212       226.9966 169.9671 3.284873 165.0356 5.685118 4.931503       6.565893 
1 1 1 -58 2  5  o 139.4373 3.105217 2432.829       91.49715 2510.461       107.0585 2222.487       176.2237 143.8712 3.075706 135.0033 5.395324 8.867889       6.210433 
1 1 1 -58 2  6  o 116.2440 3.026795 1722.643       75.16460 1826.090       89.20336 1469.364       139.5795 122.7066 3.004770 109.7814 5.255218 12.92519       6.053590 
1 1 1 -58 2  7  o 102.3174 3.198986 1281.187       66.72762 1287.280       76.20201 1261.154       138.1768 103.0123 3.057560 101.6225 5.620087 1.389839       6.397973 
1 1 1 -58 2  8  o 79.03395 3.439525 814.0453       55.45375 867.4484       64.46011 661.9869       108.7709 84.54298 3.151455 73.52492 6.114709 11.01806       6.879051 
1 1 1 -58 2  9  o 41.85540 4.787222 177.1641       42.53068 131.5318       48.57016 327.1862       88.06653 32.17454 6.463938 51.53625 7.063107 -19.36172      9.574444 
1 1 1 -58 2  10 o 38.62435 4.497692 195.2845       39.12897 128.3880       57.04690 254.7200       53.77166 31.58705 7.564724 45.66164 4.867428 -14.07459      8.995383 
1 1 1 -58 2  11 o 32.77502 5.069282 138.0345       39.17903 115.6375       54.67511 161.6732       56.17015 29.93887 7.549774 35.61118 6.766932 -5.672314      10.13856 
1 1 1 -58 2  12 o 46.76098 3.811074 269.5859       42.96795 247.6436       61.33339 290.7344       60.21379 44.84963 5.652438 48.67233 5.113422 -3.822693      7.622148 
1 1 1 -58 2  13 o 53.69019 3.503836 354.6425       45.44415 374.0504       63.94637 334.8396       64.59399 55.20374 4.787901 52.17664 5.116980 3.027096       7.007673 
1 1 1 -58 2  14 o 80.65501 2.814322 796.2013       54.91534 790.7046       77.28654 801.8061       78.04304 80.37520 3.974472 80.93481 3.985626 -0.5596161     5.628644 
1 1 1 -58 2  15 o 25.27333 6.124171 77.42397       45.21109 86.61496       64.84100 68.72766       63.07198 26.27987 8.730183 24.26678 8.591030 2.013098       12.24834 
1 1 1 -58 2  16 o 53.92855 3.978744 363.2584       51.67206 412.4133       74.74091 318.2534       71.51635 57.49648 5.372975 50.36063 5.869647 7.135857       7.957488 
1 1 1 -58 2  17 o 47.42003 4.397665 286.0140       50.43687 293.5451       71.26257 278.4550       71.39462 48.07993 6.126259 46.76013 6.310844 1.319805       8.795329 
1 1 1 -58 2  18 o 16.56668 5.406279 -40.90315      50.42200 -43.06787      68.99681 -38.42205      73.86700 16.13254 7.468305 17.00082 7.818942 -0.8682842     10.81256 
1 1 1 -58 2  19 o 24.78867 6.589154 76.98760       54.44159 50.93199       75.42039 105.3341       78.66619 22.37681 9.030034 27.20053 9.598243 -4.823721      13.17831 
1 1 1 -58 4  1  o 32.99142 6.344409 121.4042       44.84963 105.7762       50.53080 179.4170       97.35690 28.74910 7.262532 37.23375 10.40489 -8.484646      12.68882 
1 1 1 -58 4  2  o 127.5878 3.165818 2056.457       84.73761 2138.833       99.01830 1831.053       163.7935 132.7614 3.082771 122.4142 5.530473 10.34715       6.331636 
1 1 1 -58 4  3  o 33.90636 6.009172 141.2536       42.95998 137.5195       48.61917 154.5509       91.74793 32.97652 6.324062 34.83620 10.21992 -1.859676      12.01834 
1 1 1 -58 4  4  o 65.21225 3.883108 530.5765       50.17817 539.5334       56.84889 498.9887       106.7588 66.65894 3.525017 63.76557 6.920142 2.893368       7.766216 
1 1 1 -58 4  5  o 38.49485 5.469840 190.5194       42.23629 194.5672       48.06464 176.7995       88.48961 39.95594 4.972126 37.03377 9.744462 2.922169       10.93968 
1 1 1 -58 4  6  o 99.26147 3.158254 1246.677       64.82902 1294.955       75.19993 1106.960       127.9291 103.3190 3.008395 95.20392 5.554082 8.115097       6.316507 
1 1 1 -58 4  7  f 124.1581 3.053483 1870.491       91.72187 1870.491       91.72187 0.000000       0.000000 124.1581 3.053483 ?        ?        ?              ?        
1 1 1 -58 4  8  o 115.2452 3.336927 1713.266       86.86507 1962.040       110.3900 1308.745       140.7657 127.0620 3.590969 103.4285 5.625412 23.63351       6.673853 
1 1 1 -58 4  9  o 47.29637 5.236107 322.5350       45.80436 357.3783       52.57177 212.7305       93.32611 54.17995 4.010622 40.41280 9.673788 13.76715       10.47221 
1 1 1 -58 4  10 o 38.58767 5.483279 255.9983       45.49630 321.0772       52.33893 54.77692       92.03262 51.31389 4.215874 25.86146 10.12382 25.45244       10.96656 
1 1 1 -58 4  11 o 18.96838 5.797889 -1.205221      40.85181 -5.401780      46.16066 13.95598       87.73890 15.42375 6.687846 22.51301 9.472845 -7.089268      11.59578 
1 1 1 -58 4  12 o 29.34112 6.048540 122.2742       45.11256 145.1492       50.76566 36.38311       98.37029 33.69878 6.461759 24.98346 10.22668 8.715324       12.09708 
1 1 1 -58 4  13 o 48.54349 5.507958 338.9462       48.66407 367.2344       55.18965 240.0952       103.1681 54.77874 4.164312 42.30823 10.19848 12.47051       11.01592 
1 1 1 -58 4  14 o 74.39984 3.022414 679.7343       54.24726 615.7274       76.11311 745.8143       77.33595 70.79482 4.443811 78.00486 4.097863 -7.210037      6.044828 
1 1 1 -58 4  15 o 18.62389 5.543457 6.459579       43.66009 -21.96681      63.32252 32.21926       60.27922 16.82342 7.537212 20.42436 8.130812 -3.600937      11.08691 
1 1 1 -58 4  16 o 41.22552 5.231354 221.0797       51.04303 238.9318       73.48141 204.4334       70.95630 43.24087 7.023940 39.21018 7.754516 4.030685       10.46271 
1 1 1 -58 4  17 o 29.58106 6.264228 119.6758       48.82549 141.4501       69.57533 98.54744       68.53573 31.96580 8.743796 27.19632 8.972637 4.769482       12.52846 
1 1 1 -58 4  18 o 22.22360 6.108172 46.21427       49.64667 84.74776       68.46170 3.474447       72.10160 25.39135 8.954709 19.05584 8.309770 6.335508       12.21634 
1 1 1 -58 4  19 o 21.43063 6.318169 37.61490       54.18778 29.85349       73.00295 47.13803       80.86487 20.51345 8.636641 22.34781 9.224179 -1.834352      12.63634 
1 1 1 -58 6  1  o 124.7760 3.176078 1938.102       82.44147 1977.698       95.42181 1821.535       163.7221 127.6120 3.090679 121.9401 5.549558 5.671906       6.352156 
1 1 1 -58 6  2  o 84.70036 3.511533 917.7595       59.97905 955.4777       68.88483 799.5241       121.9612 88.70006 3.209943 80.70068 6.246578 7.999382       7.023067 
1 1 1 -58 6  3  o 79.14719 3.744919 811.5621       58.14103 848.6418       66.17249 686.0203       121.7597 83.59676 3.271792 74.69760 6.737435 8.899162       7.489837 
1 1 1 -58 6  4  o 125.7877 3.417881 1953.379       96.07224 1993.486       116.2020 1866.746       170.7827 128.0565 3.750675 123.5188 5.714899 4.537720       6.835761 
1 1 1 -58 6  5  o 160.3611 3.295278 3171.537       109.8509 3208.177       126.7953 3061.273       219.9596 162.5560 3.224023 158.1661 5.748139 4.389847       6.590556 
1 1 1 -58 6  6  o 76.36307 3.690806 732.6649       55.88163 748.8329       63.41711 676.5021       118.1958 78.52107 3.338243 74.20507 6.583642 4.316002       7.381612 
1 1 1 -58 6  7  o 29.68677 6.281189 78.22221       50.19922 24.07763       60.28144 200.7139       90.66912 20.08084 8.083735 39.29269 9.615954 -19.21186      12.56238 
1 1 1 -58 6  8  o 93.77025 3.464233 1077.417       72.09428 1082.481       86.38162 1065.794       130.8775 94.31896 3.785472 93.22154 5.802916 1.097420       6.928465 
1 1 1 -58 6  9  o 77.52776 3.739343 767.8672       57.02927 792.8190       64.73518 681.3801       120.5219 80.75601 3.313318 74.29951 6.704675 6.456497       7.478686 
1 1 1 -58 6  10 o 17.88092 5.643952 -10.27921      43.07511 5.252968       48.11002 -73.05176      96.71731 16.64185 7.009148 19.11999 8.848085 -2.478136      11.28790 
1 1 1 -58 6  11 o 144.7677 3.257140 2585.768       97.00421 2604.389       111.3321 2527.067       197.6685 146.3187 3.144983 143.2166 5.704817 3.102081       6.514281 
1 1 1 -58 6  12 o 46.81309 5.544600 281.3584       49.25585 282.3957       55.41355 277.4539       107.5115 47.96638 4.775036 45.65980 10.00847 2.306580       11.08920 
1 1 1 -58 6  13 o 25.88317 6.720749 51.66271       44.67844 35.06683       49.23438 129.0898       106.3445 19.57466 7.472556 32.19170 11.17295 -12.61704      13.44150 
1 1 1 -58 6  14 o 52.68874 5.426654 361.2386       52.98287 364.1379       59.37749 349.9108       117.3663 54.38852 4.512449 50.98896 9.870770 3.399551       10.85331 
1 1 1 -58 6  15 o 49.17454 5.733422 282.1870       53.42905 260.1562       59.15337 379.7740       124.4972 45.70409 5.349609 52.64499 10.14249 -6.940903      11.46684 
1 1 1 -58 6  16 o 31.23277 6.547941 148.8881       53.13977 174.8177       58.85375 34.46758       123.6311 36.42988 6.930747 26.03566 11.11157 10.39422       13.09588 
1 1 1 -58 6  17 o 55.66755 4.148861 394.2428       55.65700 441.1653       80.02757 350.2860       77.45712 58.99413 5.606973 52.34096 6.116701 6.653172       8.297722 
1 1 1 -58 6  18 o 23.80513 6.421997 64.77670       52.65342 93.46999       73.99691 35.34864       74.93837 26.24026 9.303692 21.36999 8.854913 4.870264       12.84399 
1 1 1 -58 6  19 o 17.19553 5.611386 -30.90943      54.07872 -25.14765      71.58496 -38.56904      82.53665 16.89804 7.744111 17.49302 8.122768 -0.5949879     11.22277 
1 1 1 -58 8  1  o 35.74472 5.649942 221.3267       47.78106 275.4369       53.38783 3.540750       107.1070 47.46835 4.648746 24.02109 10.29935 23.44726       11.29988 
1 1 1 -58 8  2  o 52.37443 4.696611 302.9163       48.59941 279.7456       53.90977 403.4504       112.2936 47.85338 4.656425 56.89547 8.157838 -9.042095      9.393222 
1 1 1 -58 8  3  o 121.4198 3.236601 1841.505       80.35716 1880.176       92.30009 1720.404       163.3349 124.4166 3.066348 118.4230 5.700863 5.993622       6.473201 
1 1 1 -58 8  4  o 82.06888 3.777611 849.1143       58.98615 865.2986       65.96445 784.5330       131.7698 84.38957 3.230865 79.74818 6.829560 4.641388       7.555223 
1 1 1 -58 8  5  o 39.32640 6.094036 210.3492       46.54097 220.2828       51.75331 168.3522       106.4126 42.44543 5.039703 36.20738 11.09732 6.238049       12.18807 
1 1 1 -58 8  6  o 195.2595 3.613043 4661.296       145.5339 4658.604       166.8972 4669.839       297.3048 195.7151 3.524701 194.8038 6.308153 0.9112701      7.226086 
1 1 1 -58 8  7  o 72.00931 3.720579 588.6459       54.66372 552.2935       61.55236 724.3307       118.9170 67.35107 3.777443 76.66755 6.411066 -9.316483      7.441158 
1 1 1 -58 8  8  o 118.5027 3.239557 1720.056       78.05564 1723.521       88.99787 1708.507       162.4812 119.0880 3.088938 117.9174 5.695383 1.170662       6.479115 
1 1 1 -58 8  9  o 89.00693 3.611966 1039.086       63.55011 1097.186       72.77330 852.4688       130.4256 94.98563 3.166736 83.02821 6.492841 11.95742       7.223932 
1 1 1 -58 8  10 o 31.90451 6.503640 139.8564       46.60785 151.4923       51.00734 80.99940       114.7180 34.47636 6.349117 29.33265 11.35245 5.143707       13.00728 
1 1 1 -58 8  11 o 66.24730 4.295017 501.8210       54.24120 477.6954       59.77139 614.3962       129.1148 62.52681 3.951161 69.96779 7.627385 -7.440975      8.590034 
1 1 1 -58 8  12 o 24.52234 6.852553 33.36283       47.45264 18.86670       52.08217 104.1999       115.1312 18.33637 7.466095 30.70829 11.49293 -12.37192      13.70511 
1 1 1 -58 8  13 o 64.01513 4.997265 542.4725       64.91940 568.5345       75.08765 465.3183       129.1947 67.96477 4.566489 60.06549 8.890321 7.899277       9.994530 
1 1 1 -58 8  14 o 40.53386 6.776195 218.3096       52.10025 218.3522       56.82307 218.0845       130.5279 41.84228 5.613155 39.22544 12.33531 2.616840       13.55239 
1 1 1 -58 8  15 o 37.24028 7.191958 184.8445       54.73766 182.1977       59.82430 198.4533       135.6526 37.28668 6.885293 37.19389 12.62893 0.9278870E-01  14.38392 
1 1 1 -58 8  16 o 41.95998 7.018257 224.3670       56.29208 212.5632       61.54201 284.8305       139.2857 40.82205 6.231242 43.09792 12.57757 -2.275875      14.03651 
1 1 1 -58 8  17 o 25.84934 7.239141 75.19871       55.88897 80.51409       60.63845 45.19929       144.0580 24.69557 8.443293 27.00312 11.76144 -2.307554      14.47828 
1 1 1 -58 8  18 o 27.76257 6.690640 120.3017       56.14967 146.6782       61.41679 -13.99167      138.5816 32.06537 7.955000 23.45977 10.75996 8.605604       13.38128 
1 1 1 -58 8  19 o 23.12221 6.826285 59.25553       61.64926 53.61969       76.89132 69.39917       103.1561 21.96573 9.022235 24.27868 10.24656 -2.312952      13.65257 
1 1 1 -58 10 1  o 69.18819 4.141550 508.8967       54.33013 465.5358       59.37152 732.1832       134.7287 61.75116 3.974027 76.62521 7.267520 -14.87405      8.283100 
1 1 1 -58 10 2  o 44.87782 6.408316 259.0251       51.32748 259.1425       56.06435 258.4176       127.5866 45.96254 5.041740 43.79309 11.78333 2.169449       12.81663 
1 1 1 -58 10 3  o 118.1766 3.326232 1731.414       78.62671 1749.364       89.25822 1669.245       166.1174 119.9543 3.075601 116.3988 5.898809 3.555550       6.652464 
1 1 1 -58 10 4  o 99.53664 3.582773 1251.968       69.31384 1279.319       78.11878 1150.744       150.2849 102.5740 3.147863 96.49931 6.437081 6.074677       7.165546 
1 1 1 -58 10 5  o 96.98412 3.593052 1174.467       67.86244 1189.886       76.35304 1116.478       148.0746 98.91688 3.190462 95.05135 6.439024 3.865524       7.186103 
1 1 1 -58 10 6  o 68.82963 4.239894 559.0086       55.71373 543.8991       61.68283 625.9370       129.8209 66.79604 3.816904 70.86321 7.572190 -4.067169      8.479789 
1 1 1 -58 10 7  o 59.74676 4.927457 435.0004       55.72908 429.9339       61.78551 457.1089       129.0667 59.31353 4.305570 60.18000 8.864614 -0.8664703     9.854914 
1 1 1 -58 10 8  o 60.28286 4.410678 383.6882       52.87420 341.0035       58.49221 574.4200       123.6441 52.77146 4.581383 67.79426 7.538385 -15.02280      8.821356 
1 1 1 -58 10 9  o 53.83542 5.633690 359.8774       53.14678 354.9598       58.25319 384.2951       129.8065 53.83357 4.472643 53.83727 10.34163 -0.3692627E-02 11.26738 
1 1 1 -58 10 10 o 31.89752 6.417454 147.6946       49.23495 169.0515       53.39700 26.49613       127.2025 36.93648 5.975291 26.85857 11.35917 10.07791       12.83491 
1 1 1 -58 10 11 o 26.23709 7.038571 0.7783646      47.23811 -27.70889      50.60581 193.6942       131.6919 14.52468 6.600587 37.94949 12.43375 -23.42481      14.07714 
1 1 1 -58 10 12 o 64.35741 4.889955 464.8833       56.20301 439.7396       60.81241 612.1356       147.1663 59.84196 4.200336 68.87286 8.831976 -9.030907      9.779909 
1 1 1 -58 10 13 o 20.76493 6.395621 15.12482       50.34920 37.21492       53.82956 -139.3218      142.3349 20.16297 7.784041 21.36690 10.15010 -1.203938      12.79124 
1 1 1 -58 10 14 o 44.27741 6.817798 233.1619       55.12420 216.4875       59.88801 325.6395       141.0369 41.46046 5.970399 47.09435 12.25903 -5.633888      13.63560 
1 1 1 -58 10 15 o 31.29423 6.990220 145.4312       53.44598 160.9728       57.10685 35.74063       151.7141 34.79857 7.025112 27.78989 12.08720 7.008680       13.98044 
1 1 1 -58 10 16 o 41.45768 7.216940 249.3006       59.31041 251.2166       64.91439 239.6193       145.9216 44.24802 6.063799 38.66733 13.09837 5.580692       14.43388 
1 1 1 -58 10 17 o 31.94740 7.331650 158.4535       60.29858 169.1848       66.35406 107.5788       144.4752 34.56212 8.080063 29.33268 12.23622 5.229439       14.66330 
1 1 1 -58 10 18 o 46.11124 7.061794 296.0339       62.83531 273.5349       69.56598 395.7168       146.4285 45.16436 6.366469 47.05812 12.60729 -1.893757      14.12359 
1 1 1 -58 12 1  o 43.24846 6.516102 258.8838       52.75415 268.1499       58.22602 216.4188       124.6474 46.64300 5.159746 39.85391 11.96726 6.789089       13.03220 
1 1 1 -58 12 2  o 34.02395 6.821211 140.5920       47.36620 136.2295       51.62090 163.8311       119.1436 32.49189 6.785672 35.55602 11.83513 -3.064125      13.64242 
1 1 1 -58 12 3  o 21.71431 6.543268 23.30722       49.04787 37.90846       52.88514 -66.49614      131.1551 20.33360 7.748863 23.09503 10.54574 -2.761425      13.08654 
1 1 1 -58 12 4  o 25.87792 6.700603 73.96987       46.77154 81.73586       51.08704 33.74182       116.2725 25.37498 7.670853 26.38087 10.98865 -1.005896      13.40121 
1 1 1 -58 12 5  o 17.26019 5.863513 -54.54193      44.84052 -49.34088      47.99163 -90.29150      125.8217 12.83977 6.036918 21.68061 10.05379 -8.840839      11.72703 
1 1 1 -58 12 6  o 46.37717 6.401942 286.6550       51.44448 290.5503       56.04214 265.7942       129.6904 48.65146 4.761201 44.10288 11.88572 4.548584       12.80388 
1 1 1 -58 12 7  o 43.06468 6.825344 255.2155       52.87361 262.0395       57.30922 216.1808       137.0660 46.13469 5.134459 39.99467 12.64826 6.140015       13.65069 
1 1 1 -58 12 8  o 49.57316 6.218077 272.1093       53.38434 251.9798       57.59069 395.0030       142.2986 45.19781 5.266627 53.94851 11.26590 -8.750690      12.43615 
1 1 1 -58 12 9  o 92.22177 4.240163 1095.117       68.29662 1113.794       74.70144 1000.000       168.5813 95.57621 3.230553 88.86732 7.840884 6.708885       8.480327 
1 1 1 -58 12 10 o 30.92976 7.753730 85.59361       50.89864 72.56763       54.05363 187.5074       151.1946 24.21338 7.967487 37.64614 13.30415 -13.43276      15.50746 
1 1 1 -58 12 11 o 41.25823 6.807680 299.5934       55.46337 332.5349       59.26725 67.40036       157.3503 51.89798 4.720218 30.61849 12.77096 21.27949       13.61536 
1 1 1 -58 12 12 o 25.20543 6.974924 67.45338       54.27228 86.70762       58.07498 -65.29446      152.4894 25.90210 8.237480 24.50875 11.25798 1.393354       13.94985 
1 1 1 -58 12 13 o 53.91910 6.946724 402.3590       58.94688 404.5476       63.27515 387.9833       162.1669 57.11685 4.578958 50.72134 13.11720 6.395504       13.89345 
1 1 1 -58 12 14 o 58.18646 6.348243 446.7633       59.53369 441.9024       64.26994 476.1452       158.0108 59.62219 4.455512 56.75074 11.88904 2.871456       12.69649 
1 1 1 -58 12 15 o 55.80798 7.073758 465.3918       62.77183 475.3720       67.85665 406.1868       165.2723 61.63739 4.550362 49.97858 13.39576 11.65881       14.14752 
1 1 1 -58 12 16 o 28.49216 7.439644 112.1444       56.84190 118.9658       60.59345 62.11779       164.0926 28.91087 8.254374 28.07344 12.37976 0.8374252      14.87929 
1 1 1 -58 12 17 o 30.75608 7.714179 148.2073       63.29558 150.9668       68.60522 132.4212       164.0871 31.75053 8.681676 29.76163 12.75393 1.988901       15.42836 
1 1 1 -58 14 1  o 50.97553 6.883629 420.5994       57.69141 453.4081       62.75089 241.4039       146.6522 60.72568 4.271153 41.22538 13.08796 19.50030       13.76726 
1 1 1 -58 14 2  o 21.35170 6.891836 -15.37716      48.78399 -17.79588      51.57849 5.146936       150.2478 15.30324 6.833092 27.40015 11.97073 -12.09691      13.78367 
1 1 1 -58 14 3  o 31.76701 7.001800 137.0947       51.17916 147.5028       55.17143 72.88519       137.0337 33.67659 6.999906 29.85743 12.12857 3.819168       14.00360 
1 1 1 -58 14 4  o 106.1980 3.996137 1431.281       77.38393 1449.207       85.41629 1349.197       182.7858 108.9925 3.239231 103.4035 7.306424 5.588989       7.992274 
1 1 1 -58 14 5  o 73.64844 4.970971 689.9538       62.34238 693.4565       67.64314 670.1964       160.6537 75.29552 3.713234 72.00136 9.222479 3.294159       9.941942 
1 1 1 -58 14 6  o 31.69654 7.333539 126.7145       51.62202 131.1574       55.09700 94.78881       147.6952 31.64131 7.339551 31.75177 12.69859 -0.1104584     14.66708 
1 1 1 -58 14 7  o 20.25836 6.464987 -0.8640222     50.50421 17.29015       53.60469 -144.3189      150.6857 18.33713 7.532641 22.17960 10.50921 -3.842474      12.92997 
1 1 1 -58 14 8  o 23.41980 7.268052 -9.486714      50.66441 -21.60137      53.71788 88.07852       152.4442 15.38366 6.913538 31.45593 12.78676 -16.07227      14.53610 
1 1 1 -58 14 9  o 143.2715 3.833277 2605.569       104.5823 2640.666       116.9279 2465.199       233.8422 146.9826 3.288136 139.5603 6.925621 7.422318       7.666554 
1 1 1 -58 14 10 o 100.9733 4.455145 1345.495       77.81731 1375.434       85.12953 1193.337       191.9148 106.0180 3.318931 95.92862 8.269096 10.08939       8.910290 
1 1 1 -58 14 11 o 73.79518 5.195418 584.4958       62.19985 548.1912       65.95469 876.3831       187.0132 66.67099 4.088900 80.91938 9.552505 -14.24839      10.39084 
1 1 1 -58 14 12 f 26.03643 7.836168 -7.141542      56.70194 -30.80776      60.06210 186.7936       171.9350 15.65565 7.143981 36.41720 13.94940 -20.76155      15.67234 
1 1 1 -58 14 13 o 61.64040 5.597443 447.9574       63.46582 419.8910       69.22260 595.9548       158.9577 57.86474 4.944604 65.41606 10.04372 -7.551319      11.19489 
1 1 1 -58 14 14 o 34.32032 7.604673 163.4150       56.23057 160.8251       60.31747 180.6068       155.4054 34.25866 7.486460 34.38198 13.23923 -0.1233253     15.20935 
1 1 1 -58 14 15 o 24.18011 6.939107 66.97274       57.47207 86.62215       61.69199 -62.09399      158.1106 25.05414 8.516563 23.30607 10.95778 1.748068       13.87821 
1 1 1 -58 14 16 o 23.32482 7.209632 49.01639       58.06184 55.09904       61.41516 -2.165378      178.1503 21.41209 8.300970 25.23755 11.79021 -3.825453      14.41926 
1 1 1 -58 16 1  o 28.14220 7.754900 67.76195       53.45892 58.13000       56.88790 140.5116       156.3430 22.49106 8.136181 33.79333 13.20441 -11.30226      15.50980 
1 1 1 -58 16 2  o 61.88758 5.560341 429.5414       61.14685 400.9140       66.00074 602.9744       162.4517 56.84136 4.799345 66.93381 10.03174 -10.09245      11.12068 
1 1 1 -58 16 3  o 39.22648 7.417436 182.8983       53.15319 171.4267       56.83476 262.9387       150.1256 36.26449 6.725480 42.18848 13.22276 -5.923988      14.83487 
1 1 1 -58 16 4  f 73.21942 5.709572 750.1134       65.42582 772.3574       70.50687 612.2546       175.5262 79.33859 3.673201 67.10025 10.81224 12.23834       11.41914 
1 1 1 -58 16 5  o 24.64827 6.976855 57.71488       48.50690 64.95448       51.56224 2.001190       143.0393 22.99937 7.786184 26.29717 11.57935 -3.297804      13.95371 
1 1 1 -58 16 6  o 25.01370 7.691498 81.31879       51.07117 81.31879       51.07117 0.000000       0.000000 25.01370 7.691498 ?        ?        ?              ?        
1 1 1 -58 16 7  o 79.02388 5.147899 773.9244       77.55797 757.5739       86.12969 844.0214       178.3353 78.23624 4.550327 79.81152 9.235691 -1.575279      10.29580 
1 1 1 -58 16 8  o 73.50885 6.401709 787.4256       79.16301 828.1293       87.85796 611.7787       182.5090 81.79839 4.439500 65.21932 12.00909 16.57906       12.80342 
1 1 1 -58 16 9  o 23.26908 7.372586 0.8241761      66.45156 0.8365848      72.91586 0.7633551      161.4307 19.33004 8.393557 27.20811 12.12305 -7.878071      14.74517 
1 1 1 -58 16 10 o 32.58810 7.455317 143.9032       52.52937 147.7059       55.52346 111.4694       162.1540 33.26540 7.114261 31.91080 13.10398 1.354599       14.91063 
1 1 1 -58 16 11 o 75.60733 5.755171 813.1067       67.20795 834.1067       72.30059 679.5955       182.3016 82.22109 3.634597 68.99358 10.92143 13.22752       11.51034 
1 1 1 -58 16 12 o 24.03595 7.488548 23.83814       58.70854 18.22926       62.70532 63.67638       167.1153 19.04381 8.010408 29.02810 12.65491 -9.984291      14.97710 
1 1 1 -58 16 13 o 35.90345 7.565107 197.2993       59.64828 200.7861       64.16862 175.1339       161.7876 38.35864 7.178298 33.44826 13.31899 4.910381       15.13021 
1 1 1 -58 16 14 o 29.93230 7.431733 136.6365       57.73785 143.8284       61.44863 82.42712       168.7045 31.57474 8.026542 28.28985 12.50989 3.284889       14.86347 
1 1 1 -58 16 15 o 32.54734 7.853778 172.4309       63.33300 169.9915       68.04936 188.2213       173.1340 33.62338 8.391852 31.47130 13.27796 2.152079       15.70756 
1 1 1 -58 18 4  o 28.38200 8.101371 85.29440       85.68697 119.0958       100.5372 -4.447353      163.8162 29.94162 10.81852 26.82238 12.06186 3.119242       16.20274 
1 1 1 -58 18 5  o 42.22550 7.784081 207.7870       70.30479 156.0889       79.33427 396.9066       151.7371 33.30486 9.422861 51.14614 12.39263 -17.84129      15.56816 
1 1 1 -58 18 6  o 66.63707 3.842276 559.2518       61.89759 584.6086       89.62640 536.1296       85.58612 68.07494 5.441848 65.19920 5.425737 2.875740       7.684551 
1 1 1 -58 18 7  o 25.13234 6.585067 75.44743       53.30295 87.27395       76.63005 64.36131       74.19254 26.23129 9.449874 24.03340 9.173458 2.197895       13.17013 
1 1 1 -58 18 8  o 26.53109 6.440230 90.71899       50.32175 118.7199       74.84148 67.61476       67.98325 29.20477 9.358013 23.85740 8.850641 5.347370       12.88046 
1 1 1 -58 18 9  o 33.72814 6.335199 163.5540       52.80068 142.9835       79.50356 179.7868       70.62527 31.54725 9.576638 35.90903 8.296203 -4.361780      12.67040 
1 1 1 -58 18 10 o 32.85323 6.499134 156.5154       54.02369 136.6303       76.65838 176.1358       76.14627 30.71446 9.419784 34.99200 8.956710 -4.277536      12.99827 
1 1 1 -58 18 11 o 17.72963 5.680232 -20.55946      52.52082 -12.05361      75.48673 -28.54053      73.12107 18.30176 8.212348 17.15750 7.849680 1.144258       11.36046 
1 1 1 -58 18 12 o 21.73226 6.095635 30.01461       54.17528 -50.05882      77.73891 105.6207       75.53925 16.54412 7.748019 26.92039 9.412506 -10.37627      12.19127 
1 1 1 -58 18 13 o 21.53956 6.329501 42.24321       55.67067 73.20763       77.81208 9.772978       79.68164 23.64087 9.292526 19.43825 8.596468 4.202620       12.65900 
1 1 1 -58 20 9  o 25.29739 11.86039 -20.20226      183.0161 0.000000       0.000000 -20.20226      183.0161 ?        ?        25.29739 11.86039 ?              ?        
1 1 1 -58 20 10 o 28.44968 8.586332 83.03078       87.49395 39.09578       98.80798 242.5937       188.3010 22.57950 9.787652 34.31986 14.11036 -11.74036      17.17266 
1 1 1 -58 20 11 o 22.37735 7.336231 8.253860       86.67760 33.37299       97.38954 -87.45985      190.1065 21.80353 9.578681 22.95117 11.11440 -1.147638      14.67246 
1 1 1 -57 1  1  o 186.9829 3.425080 4283.434       134.6583 4311.327       156.0889 4202.261       266.2752 188.4816 3.422952 185.4843 5.933641 2.997269       6.850161 
1 1 1 -57 1  2  o 179.1443 3.383183 3987.449       127.9413 4079.102       149.2533 3733.492       248.4453 183.3690 3.364307 174.9195 5.870704 8.449478       6.766367 
1 1 1 -57 1  3  o 176.9941 3.357118 3931.325       127.1395 4083.037       150.0689 3545.509       239.3158 183.4701 3.380828 170.5181 5.800944 12.95207       6.714235 
1 1 1 -57 1  4  o 57.43507 3.839417 388.0882       47.02518 373.6446       54.35781 431.0529       93.75192 55.47066 4.050385 59.39949 6.523717 -3.928837      7.678834 
1 1 1 -57 1  5  o 214.3997 3.678882 5694.120       167.9971 5808.715       196.7800 5386.080       322.6273 218.7779 3.717707 210.0215 6.349437 8.756485       7.357764 
1 1 1 -57 1  6  o 76.83044 3.280228 682.8658       52.34992 652.1266       59.59881 786.6746       109.5237 73.32362 3.359630 80.33727 5.634934 -7.013657      6.560457 
1 1 1 -57 1  7  o 138.5444 3.070231 2352.984       88.53720 2372.561       102.1512 2293.873       177.5065 139.8840 3.018374 137.2047 5.347401 2.679260       6.140463 
1 1 1 -57 1  8  o 39.85376 4.275571 199.3170       39.65023 167.6394       57.37015 228.2850       54.86172 36.43210 6.757596 43.27542 5.239934 -6.843315      8.551142 
1 1 1 -57 1  9  o 65.24158 2.880910 516.0446       45.27281 587.9059       65.87595 451.7267       62.32256 69.54592 3.915191 60.93723 4.227273 8.608696       5.761819 
1 1 1 -57 1  10 o 67.48926 2.860613 554.4194       46.68788 535.3071       66.00809 573.5532       66.04517 66.31820 4.113979 68.66032 3.975877 -2.342117      5.721226 
1 1 1 -57 1  11 o 111.5182 2.544975 1512.690       68.64646 1513.106       98.21358 1512.293       95.98624 111.5263 3.639922 111.5102 3.557886 0.1603699E-01  5.089950 
1 1 1 -57 1  12 o 58.20498 3.246519 413.9848       45.52235 364.6882       63.33694 466.6623       65.47282 54.59431 4.795208 61.81564 4.377845 -7.221333      6.493038 
1 1 1 -57 1  13 o 79.89333 2.790816 777.0118       53.80815 703.2458       74.17304 858.9570       78.17718 75.88453 4.040085 83.90212 3.851276 -8.017593      5.581632 
1 1 1 -57 1  14 o 37.39875 4.783446 177.1505       42.36946 167.4843       59.60306 187.0247       60.24097 36.02040 7.091826 38.77711 6.421171 -2.756706      9.566893 
1 1 1 -57 1  15 o 28.08978 5.370462 96.83556       43.33935 17.78511       61.36250 175.5192       61.21995 19.40880 8.025111 36.77076 7.138980 -17.36196      10.74092 
1 1 1 -57 1  16 o 65.45164 3.355367 529.8660       53.12760 522.0807       75.19443 537.6262       75.07327 64.95960 4.784537 65.94367 4.705544 -0.9840698     6.710733 
1 1 1 -57 1  17 o 27.78292 6.061642 99.16676       48.18198 150.8799       67.76867 46.30571       68.51669 33.29069 8.410954 22.27516 8.730971 11.01553       12.12328 
1 1 1 -57 1  18 o 21.28209 6.174177 32.49467       51.02644 20.85072       71.82893 44.35731       72.50033 20.36041 8.569279 22.20377 8.890968 -1.843361      12.34835 
1 1 1 -57 1  19 o 20.89729 6.201865 25.93268       54.10609 52.78573       74.17316 -4.605655      79.09932 22.60568 9.012973 19.18890 8.521667 3.416784       12.40373 
1 1 1 -57 3  1  o 33.48529 5.642212 169.7237       45.66989 212.0258       52.91063 46.11541       90.44530 41.69792 5.244767 25.27267 9.991529 16.42525       11.28442 
1 1 1 -57 3  2  o 230.8196 3.877365 6740.377       194.5543 7092.723       232.8279 5925.045       354.1750 241.6282 3.982768 220.0109 6.653825 21.61734       7.754729 
1 1 1 -57 3  3  o 177.9997 3.370306 4027.901       129.4291 4268.612       154.4841 3461.035       237.0696 187.5728 3.404172 168.4265 5.817858 19.14626       6.740613 
1 1 1 -57 3  4  o 41.23812 5.120233 220.2023       42.65691 228.3038       49.42531 196.5497       84.45161 43.32458 4.715337 39.15166 9.090255 4.172924       10.24047 
1 1 1 -57 3  5  o 65.16728 3.496648 525.5258       47.23641 534.0541       54.51224 499.8215       94.63792 66.34973 3.395881 63.98484 6.113442 2.364895       6.993296 
1 1 1 -57 3  6  o 57.54833 3.898434 387.0686       46.45834 372.4358       52.90093 436.4069       97.13879 55.37674 3.948514 59.71993 6.723124 -4.343193      7.796868 
1 1 1 -57 3  7  o 16.05630 5.230268 -35.21460      39.57785 -33.27069      45.20724 -41.59429      81.89732 13.33501 6.127003 18.77759 8.478364 -5.442574      10.46054 
1 1 1 -57 3  8  o 86.44047 3.150365 914.3985       56.99412 919.6680       65.89573 898.7507       113.5521 87.06609 3.128282 85.81484 5.469282 1.251251       6.300729 
1 1 1 -57 3  9  o 29.84257 5.806659 120.6505       41.16659 135.2691       47.46088 76.24033       82.72238 32.70345 6.225881 26.98170 9.803446 5.721748       11.61332 
1 1 1 -57 3  10 o 28.53436 5.928427 85.34958       40.45385 60.70362       47.21814 153.3611       78.43813 22.62082 7.446848 34.44790 9.226562 -11.82708      11.85685 
1 1 1 -57 3  11 o 43.26721 5.455408 260.4204       45.56633 281.0142       52.21463 194.6460       93.31547 47.98124 4.497989 38.55318 9.940523 9.428062       10.91082 
1 1 1 -57 3  12 o 48.49906 5.398468 324.9202       52.78807 359.2642       62.67068 241.0470       97.93793 54.17513 4.781478 42.82299 9.680461 11.35214       10.79694 
1 1 1 -57 3  13 o 23.16927 5.690123 61.65369       38.98660 60.32366       54.07571 63.09333       56.25989 22.92990 7.966802 23.40865 8.126502 -0.4787483     11.38025 
1 1 1 -57 3  14 o 16.58525 5.134553 -9.438704      39.26758 -5.852150      56.29775 -12.83673      54.79810 16.94888 7.367470 16.22161 7.153666 0.7272644      10.26911 
1 1 1 -57 3  15 o 54.58783 3.951234 377.8730       49.32801 532.7779       71.30172 235.6747       68.31479 65.80830 4.478340 43.36735 6.511027 22.44095       7.902468 
1 1 1 -57 3  16 o 58.79604 3.760341 434.9243       52.02357 559.9495       74.67956 317.0478       72.51315 67.31004 4.585847 50.28203 5.960760 17.02800       7.520682 
1 1 1 -57 3  17 o 16.49672 5.263175 -27.61065      45.33911 -57.92136      67.62138 -2.856044      61.11025 15.41975 7.222979 17.57370 7.657194 -2.153945      10.52635 
1 1 1 -57 3  18 o 18.33370 5.729962 -7.498559      49.93009 -10.76829      68.94412 -3.892144      72.40669 17.91486 7.955865 18.75255 8.248277 -0.8376884     11.45992 
1 1 1 -57 3  19 o 30.39033 6.560977 135.4784       52.68848 138.8834       73.28060 131.8343       75.80924 30.79813 9.159604 29.98252 9.396134 0.8156052      13.12195 
1 1 1 -57 5  1  o 101.5193 3.334027 1311.257       67.75293 1358.779       77.46462 1156.573       139.7573 105.8237 3.025647 97.21500 5.942087 8.608688       6.668053 
1 1 1 -57 5  2  o 86.98352 3.304339 877.9042       58.09586 844.5842       65.45080 1001.666       126.1407 83.42455 3.242789 90.54250 5.758379 -7.117943      6.608677 
1 1 1 -57 5  3  o 68.79337 3.551949 532.6877       49.96772 498.2345       56.27610 661.0351       108.6182 64.05623 3.631285 73.53050 6.105665 -9.474274      7.103898 
1 1 1 -57 5  4  o 187.6984 3.443709 4448.912       138.9447 4658.206       164.8621 3935.753       258.1478 195.9033 3.478378 179.4935 5.944529 16.40985       6.887419 
1 1 1 -57 5  5  o 26.80073 5.447601 102.6630       41.26205 138.1100       46.54729 -27.37656      89.15443 33.12033 6.031147 20.48113 9.073627 12.63920       10.89520 
1 1 1 -57 5  6  o 104.1226 3.159753 1354.246       67.22604 1386.708       77.23888 1252.826       136.5255 106.9298 2.985622 101.3153 5.569759 5.614517       6.319506 
1 1 1 -57 5  7  o 124.0651 3.037605 1867.228       91.17660 1867.228       91.17660 0.000000       0.000000 124.0651 3.037605 ?        ?        ?              ?        
1 1 1 -57 5  8  o 56.87292 4.202715 413.2671       48.37928 429.1995       55.61535 363.7121       98.08377 59.41668 3.868869 54.32918 7.462111 5.087498       8.405430 
1 1 1 -57 5  9  f 48.42619 4.684847 280.3111       45.71387 274.0063       51.63883 303.1529       98.28960 47.41345 4.501658 49.43892 8.217436 -2.025467      9.369695 
1 1 1 -57 5  10 o 37.20893 5.840086 193.0270       44.02574 207.7497       49.60207 138.3700       95.57178 41.22438 4.973286 33.19348 10.56848 8.030899       11.68017 
1 1 1 -57 5  11 o 34.30738 6.110233 141.5856       43.76215 133.2645       49.29845 172.5164       95.04715 32.30170 6.532677 36.31305 10.32782 -4.011345      12.22047 
1 1 1 -57 5  12 o 31.83817 6.502973 105.7873       45.49864 83.28421       51.09099 192.0286       100.0185 25.62895 7.654006 38.04739 10.51526 -12.41844      13.00595 
1 1 1 -57 5  13 o 86.04555 3.328523 817.4500       58.72040 746.5369       65.97957 1087.567       128.7721 78.24939 3.485188 93.84170 5.671837 -15.59231      6.657047 
1 1 1 -57 5  14 o 55.73483 5.407584 468.4275       52.89128 524.1005       60.38943 285.0684       109.5948 65.46060 3.813104 46.00907 10.12068 19.45153       10.81517 
1 1 1 -57 5  15 o 26.05042 7.000189 52.42872       55.37937 26.73316       64.36838 125.6395       108.6503 20.43703 8.308373 31.66380 11.26861 -11.22677      14.00038 
1 1 1 -57 5  16 o 53.03209 3.991680 351.8347       51.13505 379.7819       73.51949 325.6456       71.16952 55.11146 5.513892 50.95272 5.773302 4.158737       7.983359 
1 1 1 -57 5  17 o 29.13749 5.137809 95.31303       49.09447 221.7472       68.63776 -37.13231      70.25045 41.52308 6.832369 16.75189 7.675094 24.77119       10.27562 
1 1 1 -57 5  18 o 35.01317 6.214470 173.6187       52.54798 175.4847       73.10493 171.6239       75.58524 35.28779 8.633639 34.73855 8.940852 0.5492363      12.42894 
1 1 1 -57 5  19 o 51.72672 4.605588 354.2942       57.53980 354.6216       79.23135 353.9288       83.69951 51.88842 6.311380 51.56503 6.709117 0.3233910      9.211177 
1 1 1 -57 7  1  f 91.99170 3.393614 971.5538       61.26453 931.1010       68.20551 1140.512       139.3907 87.55551 3.219835 96.42789 5.974875 -8.872375      6.787229 
1 1 1 -57 7  2  o 60.55492 4.738633 491.1172       53.14798 517.7197       59.59566 387.7454       117.4772 65.25218 3.775003 55.85766 8.692981 9.394524       9.477265 
1 1 1 -57 7  3  o 146.4501 3.261947 2681.273       98.65137 2747.780       113.9200 2481.856       197.2654 150.4620 3.129470 142.4381 5.724299 8.023880       6.523893 
1 1 1 -57 7  4  o 103.3913 3.192679 1300.793       67.23822 1299.836       76.65343 1303.986       140.0280 103.4976 3.061252 103.2850 5.603708 0.2126160      6.385359 
1 1 1 -57 7  5  o 147.4021 3.242716 2606.385       96.60246 2573.857       109.4553 2720.999       205.4619 145.6319 3.106546 149.1723 5.692997 -3.540314      6.485433 
1 1 1 -57 7  6  o 19.94014 5.697593 26.20042       40.16465 44.00129       45.33566 -38.75074      86.59898 20.37919 7.276230 19.50108 8.769649 0.8781166      11.39519 
1 1 1 -57 7  7  o 125.0430 3.367289 1923.254       94.45125 1951.338       114.4177 1863.177       167.3454 126.6860 3.733035 123.4001 5.605265 3.285965       6.734578 
1 1 1 -57 7  8  o 76.81669 3.578927 674.3447       54.52940 642.2160       60.87138 804.8781       122.6950 72.69034 3.461259 80.94304 6.265347 -8.252701      7.157855 
1 1 1 -57 7  9  o 73.06081 3.962918 694.3273       55.90381 724.1044       63.24814 587.9833       119.5261 77.17475 3.387429 68.94688 7.165487 8.227875       7.925836 
1 1 1 -57 7  10 o 94.19901 3.409365 1113.543       64.02131 1136.258       72.77684 1035.812       134.6283 96.68816 3.111126 91.70987 6.067616 4.978287       6.818729 
1 1 1 -57 7  11 o 44.59272 5.407768 230.6610       46.55410 215.5030       51.91279 292.9209       105.2102 41.90354 5.120606 47.28189 9.526554 -5.378349      10.81554 
1 1 1 -57 7  12 o 67.43298 4.256184 599.0024       54.83846 625.6097       61.90170 501.9631       118.2158 71.62710 3.572094 63.23887 7.726614 8.388226       8.512368 
1 1 1 -57 7  13 o 42.69928 6.172158 256.7642       49.00770 269.3076       54.34419 202.1416       113.4046 46.79464 4.800148 38.60391 11.37281 8.190731       12.34432 
1 1 1 -57 7  14 o 69.20220 5.109115 700.4980       67.13424 792.2664       77.98492 437.8346       131.9362 80.38085 4.010105 58.02356 9.398472 22.35730       10.21823 
1 1 1 -57 7  15 o 34.78023 6.655559 167.8564       51.17053 176.7057       56.64704 128.6139       119.2890 37.48361 6.246453 32.07684 11.75447 5.406765       13.31112 
1 1 1 -57 7  16 o 53.37874 5.899337 337.5518       59.27253 311.9016       65.54843 452.5878       138.8141 49.88361 5.431279 56.87387 10.47425 -6.990269      11.79867 
1 1 1 -57 7  17 o 40.27349 6.765761 261.6185       56.48080 285.1192       62.26196 152.4093       134.2186 47.51228 5.416450 33.03471 12.40017 14.47757       13.53152 
1 1 1 -57 7  18 o 16.12913 5.185655 -64.81145      48.80018 -153.7931      68.76305 25.48034       69.26746 12.11499 6.023029 20.14327 8.443173 -8.028278      10.37131 
1 1 1 -57 7  19 o 17.75513 5.704684 -17.74506      53.10996 -24.49325      71.42534 -9.399970      79.42809 16.92792 7.749588 18.58234 8.373624 -1.654425      11.40937 
1 1 1 -57 9  1  o 106.3171 3.423247 1440.683       71.35738 1485.623       80.86488 1282.570       151.6794 110.5795 3.022616 102.0547 6.143148 8.524773       6.846494 
1 1 1 -57 9  2  o 21.06948 6.372981 13.34747       45.52531 16.70141       49.85590 -3.481261      111.6773 17.96337 7.308431 24.17559 10.44253 -6.212219      12.74596 
1 1 1 -57 9  3  o 91.60161 3.761920 1118.867       65.02086 1184.013       73.36749 880.4283       140.3624 98.73512 3.071353 84.46809 6.868404 14.26704       7.523841 
1 1 1 -57 9  4  o 110.3069 3.329205 1566.951       74.06680 1641.822       85.23598 1336.109       149.6664 116.2784 3.029853 104.3355 5.929116 11.94294       6.658411 
1 1 1 -57 9  5  o 150.3853 3.347729 2768.346       101.6455 2774.188       115.5529 2748.364       213.7060 151.1227 3.160449 149.6480 5.902602 1.474762       6.695457 
1 1 1 -57 9  6  o 58.42870 4.370676 378.8016       50.20139 352.6108       55.64861 493.2779       116.3421 53.77974 4.276942 63.07767 7.623582 -9.297935      8.741352 
1 1 1 -57 9  7  o 71.31041 4.143703 655.2338       56.95411 677.5236       64.23986 573.3492       123.1266 74.62659 3.558022 67.99422 7.484757 6.632370       8.287407 
1 1 1 -57 9  8  o 35.32321 6.655032 121.0625       46.47461 96.67825       50.75184 247.7097       115.6630 27.44930 7.451132 43.19712 11.02898 -15.74782      13.31006 
1 1 1 -57 9  9  o 122.1759 3.339767 1882.544       82.05461 1930.513       93.72894 1725.164       169.7741 126.0165 3.074284 118.3353 5.930005 7.681244       6.679534 
1 1 1 -57 9  10 o 25.32155 6.175804 79.77806       46.00051 104.2483       50.71526 -33.77751      109.2505 28.39034 7.332262 22.25276 9.939828 6.137579       12.35161 
1 1 1 -57 9  11 o 58.60272 4.533476 344.9102       50.76930 301.8296       55.33166 574.3010       127.6793 49.61366 4.609673 67.59178 7.807723 -17.97812      9.066952 
1 1 1 -57 9  12 o 21.82800 6.559298 -5.902397      46.70144 -22.42751      51.19387 76.04997       114.0057 14.97497 6.737688 28.68103 11.25616 -13.70606      13.11860 
1 1 1 -57 9  13 o 90.13133 3.834767 1018.930       66.27496 1027.155       74.13619 986.1987       147.8881 91.71977 3.340911 88.54289 6.903627 3.176880       7.669535 
1 1 1 -57 9  14 o 63.75384 5.161253 505.4453       58.34547 499.7944       63.65235 535.1577       145.9574 63.74530 4.127280 63.76237 9.461485 -0.1706314E-01 10.32251 
1 1 1 -57 9  15 o 98.11415 4.068612 1189.342       73.52088 1178.360       80.96973 1240.928       175.4841 98.03066 3.413960 98.19765 7.386425 -0.1669846     8.137223 
1 1 1 -57 9  16 o 32.64140 7.036533 155.8702       54.55039 167.0659       59.63105 98.44141       135.0556 35.35091 7.216367 29.93189 12.08202 5.419018       14.07307 
1 1 1 -57 9  17 o 24.56016 7.103736 56.49881       54.48849 55.95001       59.67539 59.25045       133.6231 22.05014 8.270027 27.07018 11.55244 -5.020041      14.20747 
1 1 1 -57 9  18 f 20.92615 6.490719 20.91548       58.03450 47.12648       63.57660 -110.0654      142.1214 21.14100 8.370985 20.71131 9.921912 0.4296894      12.98144 
1 1 1 -57 9  19 f 24.61881 8.545499 89.20224       62.20992 89.20224       62.20992 0.000000       0.000000 24.61881 8.545499 ?        ?        ?              ?        
1 1 1 -57 11 1  o 26.44957 6.640544 82.93250       48.28376 96.96073       53.02046 14.77692       116.8672 27.43655 7.682527 25.46258 10.83356 1.973970       13.28109 
1 1 1 -57 11 2  o 87.37486 3.829029 987.0524       63.40296 1020.012       71.12370 859.4884       139.9234 91.56499 3.210573 83.18472 6.952559 8.380280       7.658058 
1 1 1 -57 11 3  o 83.53512 3.882303 849.8917       62.00753 844.9562       69.01727 870.5533       141.2130 83.31578 3.423956 83.75446 6.968904 -0.4386749     7.764605 
1 1 1 -57 11 4  o 58.22207 4.607076 361.5589       50.08311 332.7304       54.53777 516.7162       126.5237 52.19161 4.319111 64.25253 8.139157 -12.06092      9.214152 
1 1 1 -57 11 5  o 66.75273 4.674227 585.9576       55.39687 604.4918       61.05921 499.7026       131.7217 70.45370 3.582160 63.05175 8.634913 7.401955       9.348454 
1 1 1 -57 11 6  f 83.85120 3.916311 908.7465       61.94650 938.1708       69.37373 792.9804       137.6044 87.81493 3.265310 79.88747 7.119532 7.927460       7.832623 
1 1 1 -57 11 7  o 37.62723 6.572147 207.4353       51.15582 226.1965       56.11692 115.1814       124.4387 42.89375 5.407511 32.36070 11.98046 10.53305       13.14429 
1 1 1 -57 11 8  o 76.21869 4.284700 698.5272       59.01839 688.8528       64.54333 747.8882       145.7918 75.18302 3.548373 77.25436 7.800234 -2.071342      8.569400 
1 1 1 -57 11 9  o 87.40858 3.788028 889.7615       62.01097 861.5446       68.18490 1024.747       149.1342 84.09392 3.351362 90.72324 6.794483 -6.629326      7.576056 
1 1 1 -57 11 10 f 45.47021 6.507039 292.7611       52.03528 304.7247       56.87397 231.2909       128.9184 49.80863 4.719616 41.13180 12.12813 8.676826       13.01408 
1 1 1 -57 11 11 o 80.50337 4.318892 749.7154       60.58140 725.9288       65.43894 892.3260       160.2310 77.10270 3.508039 83.90404 7.893352 -6.801338      8.637785 
1 1 1 -57 11 12 o 70.54787 5.363054 677.2799       61.51279 696.1879       66.61662 567.8763       160.2417 75.42619 3.650548 65.66954 10.08578 9.756645       10.72611 
1 1 1 -57 11 13 o 57.10684 6.656858 458.4175       59.13605 467.8678       63.74916 400.1190       158.3362 61.62699 4.275641 52.58670 12.60849 9.040291       13.31372 
1 1 1 -57 11 14 o 77.58421 4.735603 735.0391       65.11680 720.3889       70.88131 814.2772       164.8455 76.51432 3.829012 78.65410 8.662702 -2.139778      9.471206 
1 1 1 -57 11 15 o 28.32021 7.580741 90.96361       55.06881 90.94205       58.92207 91.11243       154.8228 26.13819 8.295724 30.50222 12.69061 -4.364029      15.16148 
1 1 1 -57 11 16 o 33.61483 7.681388 133.5659       57.94371 109.9092       63.81775 244.6163       138.2689 28.11756 8.589958 39.11210 12.73686 -10.99454      15.36278 
1 1 1 -57 11 17 o 19.20165 6.306645 -18.42098      57.66359 -0.3662731     63.01078 -111.4575      143.0363 17.52675 7.702153 20.87655 9.988590 -3.349796      12.61329 
1 1 1 -57 11 18 o 32.56208 7.891634 129.1868       59.33022 95.45930       64.83772 302.7960       147.1030 25.48737 8.730672 39.63679 13.14865 -14.14942      15.78327 
1 1 1 -57 13 1  o 48.97651 6.673911 394.3109       55.93868 434.1153       61.34764 197.9774       136.2479 59.51570 4.260533 38.43732 12.64959 21.07838       13.34782 
1 1 1 -57 13 2  o 45.26603 6.820881 258.0663       51.16320 254.7374       54.71162 281.2612       144.4187 45.50436 4.969632 45.02769 12.70435 0.4766731      13.64176 
1 1 1 -57 13 3  o 69.91434 4.510574 619.6423       58.62499 627.1539       65.04964 587.1505       135.2890 71.66846 3.751583 68.16021 8.204069 3.508255       9.021149 
1 1 1 -57 13 4  o 122.2635 3.583300 1863.049       85.29739 1880.585       95.88675 1796.550       186.7237 124.2709 3.189236 120.2561 6.417861 4.014862       7.166601 
1 1 1 -57 13 5  o 84.95319 4.084553 905.0379       64.31228 912.6666       71.20668 871.2670       149.8188 86.53268 3.401248 83.37370 7.427368 3.158981       8.169106 
1 1 1 -57 13 6  o 27.53000 7.362988 40.88024       49.16501 21.91539       52.72121 167.4004       136.1729 18.73491 7.553536 36.32508 12.64114 -17.59017      14.72598 
1 1 1 -57 13 7  o 90.67749 4.213203 1010.194       68.21207 1005.921       74.56082 1032.124       168.9293 90.82883 3.393006 90.52615 7.713095 0.3026810      8.426407 
1 1 1 -57 13 8  o 55.83200 6.650802 431.4494       57.81843 440.7354       62.25024 373.1112       156.0278 59.95900 4.291255 51.70500 12.59038 8.254002       13.30160 
1 1 1 -57 13 9  o 152.7832 3.662574 2912.887       109.5003 2934.944       123.2835 2830.458       238.3251 155.1081 3.285247 150.4584 6.547132 4.649750       7.325148 
1 1 1 -57 13 10 f 51.41772 6.968987 399.4099       57.34338 418.3118       61.85668 283.8787       152.9270 58.32613 4.383501 44.50931 13.23072 13.81683       13.93797 
1 1 1 -57 13 11 o 38.48961 7.985090 171.1221       55.89058 161.4911       59.06152 253.6585       172.8982 35.10728 7.195275 41.87194 14.25744 -6.764656      15.97018 
1 1 1 -57 13 12 o 29.10758 7.628751 97.93285       54.31770 102.3872       57.44897 60.38073       166.8043 27.76723 8.070232 30.44793 12.94846 -2.680698      15.25750 
1 1 1 -57 13 13 o 29.95740 7.756740 95.28431       55.87358 85.74702       60.22686 154.1939       149.6825 25.69511 8.407990 34.21969 13.03740 -8.524582      15.51348 
1 1 1 -57 13 14 o 43.36552 7.069654 219.5913       56.63870 195.0056       61.52406 356.2166       145.0339 38.39017 6.876586 48.34086 12.35445 -9.950691      14.13931 
1 1 1 -57 13 15 o 24.70036 7.420110 -15.31568      52.11040 -42.01200      55.35092 192.8614       154.5666 14.16797 6.603062 35.23275 13.29029 -21.06478      14.84022 
1 1 1 -57 13 16 o 21.65071 7.154837 -34.05081      57.28236 -49.95085      61.03216 83.54551       165.9803 14.49100 6.811546 28.81043 12.58450 -14.31943      14.30967 
1 1 1 -57 13 17 o 20.51402 6.844148 -21.50578      60.71885 -28.32501      65.51057 20.05949       161.7368 15.92098 7.337516 25.10706 11.55553 -9.186078      13.68830 
1 1 1 -57 15 1  o 28.01129 7.835380 37.76880       53.89375 19.41223       57.24943 180.7258       159.7637 18.95151 7.784708 37.07106 13.60041 -18.11955      15.67076 
1 1 1 -57 15 2  o 99.23439 4.207788 1279.448       74.36945 1306.561       81.82870 1150.744       178.2849 103.4376 3.269829 95.03120 7.754363 8.406380       8.415577 
1 1 1 -57 15 3  o 70.21137 5.323346 640.8019       62.67509 647.6785       67.92802 601.4277       162.5424 72.70893 3.861525 67.71381 9.921726 4.995117       10.64669 
1 1 1 -57 15 4  o 63.09420 6.280660 560.6201       61.31951 577.8521       66.36684 460.0833       160.3048 68.65485 3.995560 57.53355 11.90891 11.12130       12.56132 
1 1 1 -57 15 5  o 87.04546 4.358177 903.8301       67.74590 883.9849       73.76786 1010.708       171.1915 85.02441 3.586091 89.06651 7.944481 -4.042091      8.716354 
1 1 1 -57 15 6  o 71.13704 5.190886 672.6601       62.35928 687.4610       67.88867 592.7424       157.7518 74.93525 3.744629 67.33883 9.682920 7.596420       10.38177 
1 1 1 -57 15 7  o 72.59296 5.053900 576.4919       61.52943 544.7715       65.68230 803.8073       175.8302 66.61552 4.075404 78.57041 9.249795 -11.95490      10.10780 
1 1 1 -57 15 8  o 30.82926 7.971900 87.30251       51.72381 77.85953       54.43332 175.1339       166.0104 24.78935 7.984727 36.86918 13.80032 -12.07983      15.94380 
1 1 1 -57 15 9  o 29.73781 6.715016 130.1897       53.75423 156.2822       57.44524 -53.50387      152.4203 34.50569 7.117451 24.96993 11.38893 9.535759       13.43003 
1 1 1 -57 15 10 o 104.8076 4.379712 1438.303       79.63537 1464.582       87.07796 1303.986       196.8643 109.3794 3.290564 100.2358 8.117862 9.143578       8.759423 
1 1 1 -57 15 11 o 106.7716 4.493808 1554.343       83.06621 1610.403       91.30087 1284.949       200.1447 114.6229 3.292313 98.92032 8.362888 15.70261       8.987616 
1 1 1 -57 15 12 o 59.25838 6.665081 427.4712       62.19847 408.9260       66.37805 560.9756       178.0970 57.24347 4.792876 61.27328 12.43871 -4.029812      13.33016 
1 1 1 -57 15 13 o 41.28315 7.384198 268.9738       59.68721 280.9771       64.01898 189.1731       165.0674 47.02999 5.626412 35.53632 13.65463 11.49368       14.76840 
1 1 1 -57 15 14 o 54.22852 7.185041 417.0241       62.23003 413.2847       66.85413 441.2849       170.2857 57.21379 4.829756 51.24325 13.53413 5.970539       14.37008 
1 1 1 -57 15 15 o 75.86815 6.385702 880.5654       72.25716 908.1758       78.20390 719.4526       188.9112 85.26191 3.791150 66.47438 12.19573 18.78753       12.77140 
1 1 1 -57 15 16 o 25.12094 6.754750 93.31786       61.75708 128.7600       66.40015 -133.8489      168.1054 29.05547 8.736697 21.18641 10.30421 7.869066       13.50950 
1 1 1 -57 17 1  o 21.14457 6.969123 -20.08039      50.48783 -21.42599      53.05894 -7.196907      164.1788 15.16178 6.836999 27.12735 12.14620 -11.96557      13.93825 
1 1 1 -57 17 2  o 45.24829 4.980439 274.0759       50.95680 221.1805       78.40679 312.7543       67.04690 40.54839 8.272599 49.94818 5.548259 -9.399788      9.960877 
1 1 1 -57 17 3  o 21.47860 5.966423 25.24117       48.80709 82.77773       71.16065 -25.86796      67.06828 25.92805 9.131069 17.02916 7.682213 8.898884       11.93285 
1 1 1 -57 17 4  o 46.35381 4.923017 275.8474       53.02475 345.0877       77.96047 216.2439       72.33207 52.30493 6.160692 40.40270 7.680512 11.90223       9.846034 
1 1 1 -57 17 5  o 62.11967 3.692279 481.4197       55.30509 531.8912       78.96120 432.8164       77.48608 65.39790 4.990540 58.84145 5.442997 6.556458       7.384558 
1 1 1 -57 17 6  o 68.10006 3.691058 579.6700       60.63290 531.0673       85.91414 627.8983       85.58256 65.15741 5.450026 71.04271 4.979244 -5.885300      7.382117 
1 1 1 -57 17 7  o 71.17513 3.543266 631.6962       60.66856 549.2783       84.77190 718.2301       86.86290 66.29496 5.285294 76.05529 4.720659 -9.760330      7.086533 
1 1 1 -57 17 8  o 67.05127 3.569484 561.3024       57.86410 557.1641       83.20901 565.1776       80.52155 66.76926 5.150998 67.33327 4.942881 -0.5640030     7.138967 
1 1 1 -57 17 9  o 63.09592 3.791869 503.7269       56.88438 396.4153       79.75211 614.8599       81.15970 55.96146 5.890482 70.23038 4.776536 -14.26892      7.583737 
1 1 1 -57 17 10 o 17.72080 5.328575 -26.08762      47.46692 -138.3837      74.05872 52.20684       61.83857 13.37944 6.576496 22.06216 8.385972 -8.682723      10.65715 
1 1 1 -57 17 11 o 85.11938 4.543960 905.7985       93.57615 905.7985       93.57615 0.000000       0.000000 85.11938 4.543960 ?        ?        ?              ?        
1 1 1 -57 17 12 o 54.12527 4.612059 382.0956       60.38193 390.4169       86.45713 374.1716       84.36710 54.69349 6.533755 53.55706 6.511096 1.136433       9.224117 
1 1 1 -57 17 13 o 38.85948 5.985624 215.8963       56.49817 148.2379       78.69337 287.8714       81.16490 31.49477 9.520354 46.22420 7.257659 -14.72943      11.97125 
1 1 1 -57 17 14 f 39.41722 5.993106 229.8258       57.13364 158.2184       80.69538 301.8027       80.90336 31.86825 9.642364 46.96620 7.119981 -15.09795      11.98621 
1 1 1 -57 17 15 o 70.01325 7.253703 759.5535       71.77847 757.1445       76.56390 777.0374       206.2646 77.08096 4.105581 62.94555 13.91435 14.13542       14.50741 
1 1 1 -57 19 5  o 25.33511 7.386473 33.22086       83.92204 119.3337       99.65266 -176.7995      155.6272 29.74474 10.76723 20.92547 10.11468 8.819267       14.77295 
1 1 1 -57 19 6  o 30.16697 8.424983 48.52205       88.90737 -34.39619      105.3371 253.8965       165.7790 20.76795 9.470630 39.56599 13.93659 -18.79804      16.84997 
1 1 1 -57 19 7  o 28.59375 7.531574 110.3858       72.18775 147.0318       80.21793 -45.65140      165.5281 32.05223 9.594931 25.13526 11.61188 6.916967       15.06315 
1 1 1 -57 19 8  o 46.93525 5.261658 293.8718       57.98868 251.5103       79.96389 340.8606       84.21816 42.79081 8.018618 51.07969 6.814832 -8.288879      10.52332 
1 1 1 -57 19 9  o 54.77617 4.483605 388.3535       59.00456 330.7414       80.90784 453.8051       86.23698 50.26215 6.653454 59.29018 6.011856 -9.028027      8.967211 
1 1 1 -57 19 10 o 49.33981 5.284668 338.4430       58.03807 214.5725       81.31030 467.1060       82.86833 38.50436 8.905701 60.17527 5.692044 -21.67091      10.56934 
1 1 1 -57 19 11 o 27.11595 6.615357 99.33496       56.73437 160.1113       80.90394 40.52930       79.58144 32.44278 9.618674 21.78912 9.084764 10.65366       13.23071 
1 1 1 -57 19 12 o 25.22335 5.951728 51.85825       56.19060 -77.81803      78.31100 189.4739       80.67265 15.40100 7.374563 35.04570 9.343880 -19.64470      11.90346 
1 1 1 -57 19 13 o 54.94215 5.317177 423.3632       63.50518 245.1201       84.50068 654.6901       96.26463 39.76503 8.993866 70.11927 5.674494 -30.35424      10.63435 
1 1 1 -56 0  1  o 46.51773 3.826298 273.0626       58.74897 273.0626       58.74897 273.0626       58.74897 46.51773 5.411203 46.51773 5.411203 0.000000       0.000000 
1 1 1 -56 0  2  o 84.97916 2.672096 880.0983       77.34329 880.0983       77.34329 880.0983       77.34329 84.97916 3.778915 84.97916 3.778915 0.000000       0.000000 
1 1 1 -56 0  3  o 59.36609 4.720957 444.1404       92.77405 444.1404       92.77405 444.1404       92.77405 59.36609 6.676442 59.36609 6.676442 0.000000       0.000000 
1 1 1 -56 0  4  o 53.10314 3.175508 349.0730       56.74733 349.0730       56.74733 349.0730       56.74733 53.10314 4.490847 53.10314 4.490847 0.000000       0.000000 
1 1 1 -56 0  5  o 91.57848 2.685246 1021.238       83.80959 1021.238       83.80959 1021.238       83.80959 91.57848 3.797511 91.57848 3.797511 0.000000       0.000000 
1 1 1 -56 0  6  o 285.5084 3.902820 9903.471       380.9329 9903.471       380.9329 9903.471       380.9329 285.5084 5.519422 285.5084 5.519422 0.000000       0.000000 
1 1 1 -56 0  7  o 150.8618 2.671602 2762.733       137.7058 2762.733       137.7058 2762.733       137.7058 150.8618 3.778215 150.8618 3.778215 0.000000       0.000000 
1 1 1 -56 0  8  f 28.22654 6.320251 122.1323       53.69012 122.1323       53.69012 122.1323       53.69012 28.22654 8.938185 28.22654 8.938185 0.000000       0.000000 
1 1 1 -56 0  9  o 34.75051 4.906357 163.1446       51.77391 163.1446       51.77391 163.1446       51.77391 34.75051 6.938636 34.75051 6.938636 0.000000       0.000000 
1 1 1 -56 0  10 o 65.70166 2.937520 529.8285       65.42982 529.8285       65.42982 529.8285       65.42982 65.70166 4.154281 65.70166 4.154281 0.000000       0.000000 
1 1 1 -56 0  11 o 17.22851 6.475185 52.56964       51.55481 52.56964       51.55481 52.56964       51.55481 17.22851 9.157294 17.22851 9.157294 0.000000       0.000000 
1 1 1 -56 0  12 o 34.59863 5.591122 167.1109       57.66225 167.1109       57.66225 167.1109       57.66225 34.59863 7.907041 34.59863 7.907041 0.000000       0.000000 
1 1 1 -56 0  13 o 32.18555 5.784585 148.8354       55.07710 148.8354       55.07710 148.8354       55.07710 32.18555 8.180639 32.18555 8.180639 0.000000       0.000000 
1 1 1 -56 0  14 o 59.30683 3.259219 435.9282       65.21690 435.9282       65.21690 435.9282       65.21690 59.30683 4.609231 59.30683 4.609231 0.000000       0.000000 
1 1 1 -56 0  15 o 34.20271 5.843699 166.7291       59.28390 166.7291       59.28390 166.7291       59.28390 34.20271 8.264239 34.20271 8.264239 0.000000       0.000000 
1 1 1 -56 0  16 o 41.96464 4.849766 233.2891       64.04748 233.2891       64.04748 233.2891       64.04748 41.96464 6.858604 41.96464 6.858604 0.000000       0.000000 
1 1 1 -56 0  17 f 57.95742 3.730981 422.5563       72.57600 422.5563       72.57600 422.5563       72.57600 57.95742 5.276404 57.95742 5.276404 0.000000       0.000000 
1 1 1 -56 0  18 o 41.68344 5.963988 242.5305       75.33105 242.5305       75.33105 242.5305       75.33105 41.68344 8.434353 41.68344 8.434353 0.000000       0.000000 
1 1 1 -56 0  19 o 16.17528 6.939638 38.34124       71.29788 38.34124       71.29788 38.34124       71.29788 16.17528 9.814130 16.17528 9.814130 0.000000       0.000000 
1 1 1 -56 2  1  o 141.2510 3.109796 2467.010       93.04006 2514.273       108.6105 2336.704       180.3397 144.0000 3.117506 138.5020 5.381865 5.497910       6.219591 
1 1 1 -56 2  2  o 222.4635 3.776567 6165.077       180.3525 6339.687       212.6767 5718.025       340.3026 228.5452 3.846321 216.3818 6.500433 12.16342       7.553133 
1 1 1 -56 2  3  o 133.4617 3.050569 2181.900       85.96214 2201.890       99.91029 2124.926       168.6754 134.7801 3.063954 132.1434 5.275989 2.636658       6.101137 
1 1 1 -56 2  4  o 90.70909 3.236530 1057.482       60.35231 1116.780       70.16716 888.8756       118.3173 95.99128 3.021341 85.42690 5.724683 10.56438       6.473059 
1 1 1 -56 2  5  o 37.85605 5.293284 149.6338       41.53557 117.7163       47.22582 258.6556       87.28144 30.47817 6.595982 45.23392 8.280608 -14.75575      10.58657 
1 1 1 -56 2  6  o 232.0537 3.880565 6653.717       191.4373 6764.721       223.7991 6350.981       369.5908 236.0840 3.918225 228.0235 6.699452 8.060516       7.761131 
1 1 1 -56 2  7  o 208.4259 3.604538 5436.246       161.7997 5630.850       191.5614 4951.814       302.2372 215.4161 3.675594 201.4357 6.201676 13.98036       7.209075 
1 1 1 -56 2  8  o 158.6552 3.171535 3089.963       105.8963 3121.404       122.9122 2999.405       208.5994 160.4346 3.166610 156.8758 5.496100 3.558731       6.343070 
1 1 1 -56 2  9  o 95.59727 2.982669 1106.410       60.29348 1101.516       69.89512 1120.642       119.1950 95.30110 3.031424 95.89345 5.137677 -0.5923462     5.965338 
1 1 1 -56 2  10 o 47.13345 4.237414 281.6285       41.19671 291.3907       47.69466 252.9447       81.75496 48.94994 4.027313 45.31696 7.456773 3.632977       8.474829 
1 1 1 -56 2  11 o 28.20695 5.417269 101.4903       37.97762 110.5585       54.38663 92.86076       53.05506 29.35986 7.598097 27.05405 7.723738 2.305813       10.83454 
1 1 1 -56 2  12 o 61.11893 3.139491 456.3206       46.34309 423.6400       65.28075 489.5235       65.80038 58.89337 4.581592 63.34449 4.293557 -4.451115      6.278982 
1 1 1 -56 2  13 o 86.85411 2.669839 919.8627       56.08958 933.4526       78.91057 905.9852       79.74125 87.51123 3.727083 86.19698 3.823743 1.314247       5.339678 
1 1 1 -56 2  14 o 85.22885 2.743953 887.0606       56.57451 903.1390       80.64677 871.4814       79.38504 85.98997 3.876473 84.46774 3.884593 1.522232       5.487906 
1 1 1 -56 2  15 o 52.44257 3.714526 343.1803       46.42314 407.7951       65.42341 277.6535       65.88348 57.57496 4.696748 47.31017 5.755986 10.26479       7.429052 
1 1 1 -56 2  16 o 42.85357 4.840904 240.1502       47.38455 306.5185       66.69304 172.4974       67.33532 49.62416 5.555013 36.08297 7.929643 13.54119       9.681808 
1 1 1 -56 2  17 o 73.38155 3.204969 666.1109       56.84541 626.6932       79.05428 708.3134       81.79908 71.11263 4.594903 75.65047 4.469248 -4.537849      6.409938 
1 1 1 -56 2  18 o 25.31875 5.724023 61.73914       48.89547 -31.57010      68.46487 158.8712       69.85329 16.75315 7.638024 33.88436 8.527506 -17.13121      11.44805 
1 1 1 -56 2  19 o 22.46633 6.364828 49.13280       52.82339 60.55112       73.14055 36.68347       76.37125 23.28207 9.049641 21.65059 8.952549 1.631479       12.72966 
1 1 1 -56 4  1  o 197.8517 3.539765 4827.295       147.9527 4893.389       172.2440 4641.285       288.9569 200.7925 3.545637 194.9109 6.127659 5.881607       7.079530 
1 1 1 -56 4  2  o 169.6082 3.313985 3613.405       119.9581 3754.804       141.4068 3250.446       226.5559 175.9451 3.321933 163.2713 5.735394 12.67377       6.627969 
1 1 1 -56 4  3  o 114.4461 3.072380 1641.632       73.74466 1696.267       85.97927 1489.590       143.4314 118.2924 3.004241 110.5998 5.360281 7.692551       6.144761 
1 1 1 -56 4  4  o 83.75839 3.184536 800.3932       54.89548 757.4037       62.12169 953.5991       117.2735 79.03249 3.248892 88.48428 5.478119 -9.451790      6.369073 
1 1 1 -56 4  5  o 179.3745 3.377861 4000.558       128.0265 4098.894       149.4871 3729.923       247.9939 183.8387 3.360968 174.9102 5.860349 8.928543       6.755723 
1 1 1 -56 4  6  o 72.95613 3.660406 697.3348       53.65511 743.9974       61.99857 558.1202       107.0878 78.32603 3.271699 67.58624 6.549066 10.73979       7.320811 
1 1 1 -56 4  7  o 95.57335 3.280566 1144.693       62.89404 1173.134       71.72765 1050.089       130.8185 98.36681 3.013948 92.77989 5.827914 5.586922       6.561132 
1 1 1 -56 4  8  o 115.4645 2.995029 1612.987       72.28562 1605.463       83.29860 1635.931       145.4637 115.0627 2.992272 115.8664 5.189133 -0.8036957     5.990058 
1 1 1 -56 4  9  o 66.78366 3.735414 583.0156       50.35768 620.3825       58.25726 472.5759       100.1542 71.48842 3.368310 62.07891 6.668414 9.409508       7.470827 
1 1 1 -56 4  10 o 38.11884 5.106966 141.7116       41.56758 96.96622       47.34119 292.3260       86.85566 27.54958 7.067962 48.68810 7.373488 -21.13852      10.21393 
1 1 1 -56 4  11 o 31.82902 5.653259 84.47804       40.82665 40.18792       46.09137 245.8061       87.96725 19.96304 7.307897 43.69500 8.627398 -23.73196      11.30652 
1 1 1 -56 4  12 f 48.91366 5.504589 362.9430       47.66944 406.9987       54.16274 211.5408       100.4074 57.79066 3.873831 40.03666 10.30512 17.75400       11.00918 
1 1 1 -56 4  13 o 24.66373 6.380566 57.02417       42.01242 49.56020       47.08284 86.18680       93.06599 21.09614 7.427560 28.23132 10.37679 -7.135176      12.76113 
1 1 1 -56 4  14 f 45.10130 4.235054 254.3390       43.75727 339.6172       64.58052 181.9604       59.49598 52.52678 5.081810 37.67583 6.776277 14.85094       8.470108 
1 1 1 -56 4  15 f 58.32593 3.565205 420.2423       50.02073 479.9050       71.80676 363.9979       69.71940 62.41528 4.755236 54.23658 5.313235 8.178707       7.130410 
1 1 1 -56 4  16 o 27.62966 5.958761 99.11809       44.49935 70.93102       62.99151 127.1981       62.87183 24.40713 8.591461 30.85219 8.259183 -6.445066      11.91752 
1 1 1 -56 4  17 o 24.08021 5.639777 55.09397       44.76622 -14.87293      61.67851 132.9814       65.07604 16.88501 7.510493 31.27541 8.415511 -14.39040      11.27955 
1 1 1 -56 4  18 o 19.87936 5.897199 14.49597       49.16843 46.32001       69.60233 -17.20459      69.46717 22.12072 8.758770 17.63800 7.898846 4.482718       11.79440 
1 1 1 -56 4  19 o 34.14053 5.838960 168.7555       53.06906 250.1356       72.93073 77.17234       77.36761 43.45163 6.937487 24.82943 9.393886 18.62220       11.67792 
1 1 1 -56 6  1  o 88.40575 3.414490 981.0753       60.41976 1005.115       68.84887 900.5354       126.0197 91.01626 3.126623 85.79524 6.071178 5.221016       6.828981 
1 1 1 -56 6  2  o 56.51564 4.221382 389.8088       47.23723 389.4651       53.25695 391.0767       102.2827 56.62001 3.887802 56.41126 7.494349 0.2087517      8.442764 
1 1 1 -56 6  3  o 131.8774 3.157762 2163.952       86.49453 2213.046       100.0790 2019.036       171.9435 135.0873 3.062147 128.6674 5.523505 6.419830       6.315525 
1 1 1 -56 6  4  o 30.50004 6.087140 126.6931       43.05095 141.2106       48.00106 66.99583       97.33778 33.48781 6.151319 27.51227 10.50592 5.975540       12.17428 
1 1 1 -56 6  5  o 150.6241 3.218561 2882.664       102.2571 3027.191       120.1660 2503.272       194.6931 157.9871 3.143819 143.2611 5.617201 14.72600       6.437122 
1 1 1 -56 6  6  o 42.07897 5.618833 218.8972       44.60349 216.9077       49.63452 227.2457       101.6743 42.20978 4.860360 41.94817 10.13223 0.2616158      11.23767 
1 1 1 -56 6  7  o 77.72882 3.847311 791.7281       57.76327 833.5056       65.53019 646.1630       122.3204 82.87961 3.268071 72.57804 6.966125 10.30157       7.694621 
1 1 1 -56 6  8  o 30.77809 5.791420 129.1256       41.90128 145.9201       47.54222 70.68411       88.68629 34.55449 5.686863 27.00170 10.09068 7.552790       11.58284 
1 1 1 -56 6  9  o 56.73581 4.301880 412.8671       47.92576 427.3388       54.40823 362.7603       101.2402 59.28400 3.793366 54.18761 7.722373 5.096386       8.603760 
1 1 1 -56 6  10 o 33.91314 5.149534 204.7058       43.99062 268.1874       49.52917 -32.46877      95.73511 46.90261 4.364774 20.92366 9.328427 25.97895       10.29907 
1 1 1 -56 6  11 o 43.73625 5.340316 229.0728       45.78703 219.2862       51.56381 265.5562       99.55759 42.32330 5.035738 45.14920 9.418983 -2.825893      10.68063 
1 1 1 -56 6  12 o 75.01210 3.825697 670.9265       55.89407 657.1292       62.37242 727.1862       125.9492 73.45593 3.509647 76.56828 6.798985 -3.112343      7.651393 
1 1 1 -56 6  13 o 68.28648 3.997420 561.8308       53.69949 552.1605       60.19506 599.5241       118.8422 67.26975 3.698611 69.30322 7.087859 -2.033463      7.994841 
1 1 1 -56 6  14 o 49.95418 5.998934 388.8690       52.66704 433.4798       59.34038 223.3195       114.3126 59.48699 4.123121 40.42136 11.26715 19.06562       11.99787 
1 1 1 -56 6  15 o 29.61198 7.085786 77.42719       48.54391 54.87479       53.18439 190.0060       118.8273 22.04660 7.879951 37.17736 11.77879 -15.13076      14.17157 
1 1 1 -56 6  16 o 19.67486 6.203874 -7.634789      47.11811 -10.03029      52.14724 3.018441       109.9700 15.84404 6.983269 23.50568 10.25603 -7.661645      12.40775 
1 1 1 -56 6  17 o 26.29913 5.636541 77.48006       46.71535 163.5978       66.50809 -6.382777      65.63160 34.68961 8.075604 17.90866 7.865559 16.78095       11.27308 
1 1 1 -56 6  18 o 23.66859 6.153814 58.88771       49.59842 10.00039       69.63414 109.2299       70.66268 19.26275 8.283043 28.07443 9.103237 -8.811680      12.30763 
1 1 1 -56 6  19 f 41.82363 7.506949 242.2670       73.16908 242.2670       73.16908 0.000000       0.000000 41.82363 7.506949 ?        ?        ?              ?        
1 1 1 -56 8  1  o 124.1776 3.206909 1936.515       82.38715 1993.272       95.34131 1769.185       163.7034 128.1367 3.075424 120.2184 5.628394 7.918381       6.413817 
1 1 1 -56 8  2  o 31.90071 6.143641 135.1984       43.46922 145.8874       48.01358 86.61511       102.3622 34.52893 5.747496 29.27249 10.86018 5.256439       12.28728 
1 1 1 -56 8  3  o 133.5771 3.273845 2249.537       89.61280 2322.008       103.3357 2029.744       179.9601 138.3285 3.087710 128.8256 5.773932 9.502899       6.547690 
1 1 1 -56 8  4  o 151.8092 3.326113 2848.497       102.8011 2884.488       117.5791 2731.707       211.8039 154.1710 3.152283 149.4474 5.857919 4.723602       6.652225 
1 1 1 -56 8  5  o 108.4625 3.229018 1461.903       70.93496 1487.264       81.05549 1378.941       146.5996 110.7170 3.025979 106.2080 5.705233 4.508980       6.458036 
1 1 1 -56 8  6  o 31.83568 6.295773 134.3524       43.90591 143.0407       48.44745 94.41999       103.8642 33.66139 6.176514 30.00997 10.97259 3.651421       12.59155 
1 1 1 -56 8  7  o 98.37653 3.459805 1157.819       74.95052 1126.668       88.60624 1236.169       140.5230 96.25999 3.804663 100.4930 5.779752 -4.233055      6.919610 
1 1 1 -56 8  8  o 162.7149 3.350622 3269.817       112.8445 3307.672       129.9946 3154.075       227.3073 165.0193 3.256027 160.4104 5.857044 4.608932       6.701244 
1 1 1 -56 8  9  o 37.47693 6.143094 167.2698       44.61513 161.2502       49.09131 195.8358       106.9420 36.26672 5.594921 38.68713 10.93834 -2.420410      12.28619 
1 1 1 -56 8  10 o 47.43991 4.895640 230.9859       46.99680 197.9236       52.15300 373.8251       108.4018 40.17050 5.366236 54.70932 8.189791 -14.53883      9.791280 
1 1 1 -56 8  11 o 125.3507 3.267562 1946.186       83.10857 1966.334       94.89140 1879.833       172.2019 127.1632 3.084347 123.5383 5.761479 3.624847       6.535123 
1 1 1 -56 8  12 o 127.9338 3.268126 2004.478       85.24859 2002.957       97.26533 2009.518       177.0533 128.2840 3.133887 127.5836 5.735968 0.7003174      6.536251 
1 1 1 -56 8  13 o 44.15148 5.886211 243.7149       49.47400 238.2764       55.17391 266.0321       111.7665 43.95897 5.187809 44.34399 10.56771 -0.3850212     11.77242 
1 1 1 -56 8  14 o 83.39697 3.765881 844.1985       61.22832 832.3860       68.48345 891.2552       136.6865 82.54315 3.429275 84.25079 6.705782 -1.707642      7.531762 
1 1 1 -56 8  15 o 54.40056 5.918813 372.6962       56.30504 364.9217       61.65146 411.7787       138.2287 54.32289 4.690922 54.47823 10.86852 -0.1553383     11.83763 
1 1 1 -56 8  16 o 72.92683 5.032824 778.7711       64.86774 842.0772       72.75166 533.2540       143.2719 82.76862 3.633079 63.08505 9.387118 19.68357       10.06565 
1 1 1 -56 8  17 o 38.87511 7.136372 198.6164       56.26846 187.0998       62.19360 250.5651       132.0906 37.42478 7.129185 40.32543 12.36471 -2.900654      14.27274 
1 1 1 -56 8  18 o 19.52180 6.239242 -2.668314      54.86719 19.87884       60.20240 -113.2302      133.3124 18.77165 7.869946 20.27195 9.683826 -1.500299      12.47848 
1 1 1 -56 8  19 o 23.71119 6.320326 68.98569       53.11446 112.2823       71.23409 14.77437       79.70869 27.46273 9.151756 19.95966 8.719601 7.503077       12.64065 
1 1 1 -56 10 1  o 120.8933 3.418703 1794.554       81.35918 1799.765       91.62652 1775.134       176.8860 121.6969 3.111999 120.0897 6.088150 1.607162       6.837405 
1 1 1 -56 10 2  o 63.43260 4.914392 549.2328       54.38645 577.1290       60.04881 421.8917       128.2970 68.87383 3.603694 57.99137 9.144310 10.88246       9.828785 
1 1 1 -56 10 3  o 30.07151 6.677046 94.07243       44.67554 80.79671       49.44311 153.1231       104.2772 25.34542 7.520535 34.79760 11.03510 -9.452175      13.35409 
1 1 1 -56 10 4  o 30.47151 6.747191 113.0536       45.32396 116.2063       49.11322 94.95538       117.6730 30.11693 6.889795 30.82608 11.60298 -0.7091446     13.49438 
1 1 1 -56 10 5  o 133.8216 3.248855 2170.831       87.55434 2159.170       99.24080 2211.779       185.9703 133.3378 3.076341 134.3054 5.723317 -0.9675598     6.497710 
1 1 1 -56 10 6  o 70.34058 4.162603 598.8177       54.56322 593.9615       60.22613 621.0589       128.8885 69.88213 3.562186 70.79904 7.524618 -0.9169159     8.325206 
1 1 1 -56 10 7  o 76.35390 4.136045 752.7543       59.33659 776.6645       66.35656 657.3468       132.5510 79.91544 3.432028 72.79237 7.526529 7.123062       8.272089 
1 1 1 -56 10 8  o 65.47556 4.766222 568.5108       53.83066 587.3013       58.97062 474.5984       131.8343 69.47134 3.508550 61.47977 8.863270 7.991573       9.532443 
1 1 1 -56 10 9  o 49.37867 6.186158 331.5092       58.18066 346.8107       65.96735 277.9298       123.4415 53.17682 5.127484 45.58051 11.25980 7.596310       12.37232 
1 1 1 -56 10 10 o 78.64627 4.383810 846.9496       60.40340 891.8772       66.80595 645.6871       141.3971 85.60632 3.225574 71.68621 8.152719 13.92011       8.767619 
1 1 1 -56 10 11 f 39.56598 6.520411 206.5654       48.99357 209.5874       53.56037 191.0767       121.2552 41.24172 5.367900 37.89023 11.88481 3.351490       13.04082 
1 1 1 -56 10 12 o 69.89432 4.804895 640.1779       59.30619 655.5150       65.18339 566.4485       142.9175 73.25136 3.678061 66.53728 8.878059 6.714081       9.609791 
1 1 1 -56 10 13 o 87.84273 3.948644 907.2473       64.22478 880.2472       70.44964 1040.095       156.2694 84.88203 3.430526 90.80341 7.113273 -5.921379      7.897288 
1 1 1 -56 10 14 o 83.73508 4.381171 879.0718       66.33688 878.4728       72.86042 881.9750       160.3946 84.68576 3.556141 82.78439 8.008276 1.901375       8.762341 
1 1 1 -56 10 15 o 47.68713 7.029201 297.4673       57.55058 291.5294       62.09827 333.6110       153.2071 48.29042 5.315159 47.08385 13.01490 1.206570       14.05840 
1 1 1 -56 10 16 o 53.92681 6.882022 422.6971       61.76097 432.1188       67.29715 372.3974       155.4938 58.83663 4.727664 49.01700 12.92664 9.819630       13.76404 
1 1 1 -56 10 17 o 20.51975 6.306874 15.35946       55.27878 46.17328       60.67791 -135.0387      134.0538 21.16339 8.238070 19.87611 9.552007 1.287277       12.61375 
1 1 1 -56 10 18 o 29.60244 7.433158 128.4270       59.00157 130.9039       64.82371 116.4664       142.4463 29.94494 8.533504 29.25994 12.17319 0.6849976      14.86632 
1 1 1 -56 10 19 o 19.34056 8.482120 16.22083       76.08011 16.22083       76.08011 0.000000       0.000000 19.34056 8.482120 ?        ?        ?              ?        
1 1 1 -56 12 1  o 45.99544 6.477643 346.5535       51.84542 382.3992       56.72147 164.5449       127.8129 55.93385 4.191509 36.05703 12.25849 19.87682       12.95529 
1 1 1 -56 12 2  o 21.01101 6.591658 -13.00161      46.43915 -19.47916      49.98430 27.86437       125.5478 15.02424 6.716271 26.99778 11.34423 -11.97354      13.18332 
1 1 1 -56 12 3  o 73.72842 4.240678 660.5352       58.73551 654.7653       64.98995 686.2582       137.2218 73.30455 3.664485 74.15228 7.648852 -0.8477325     8.481356 
1 1 1 -56 12 4  o 149.1045 3.469505 2775.225       103.7912 2817.958       118.1321 2630.577       217.3390 152.2099 3.207914 145.9990 6.152978 6.210907       6.939010 
1 1 1 -56 12 5  o 50.45161 6.387881 446.1650       54.29065 509.8192       60.13511 165.6157       126.2464 64.66409 3.843817 36.23914 12.18381 28.42494       12.77576 
1 1 1 -56 12 6  o 73.77893 4.492269 687.3853       58.88342 694.6611       64.52636 651.1600       143.9802 75.52207 3.531514 72.03578 8.261374 3.486290       8.984537 
1 1 1 -56 12 7  o 107.0578 3.729486 1435.099       75.69432 1452.260       84.41334 1364.664       171.0152 109.2516 3.193603 104.8641 6.740708 4.387512       7.458971 
1 1 1 -56 12 8  o 45.68770 6.680095 368.6260       54.25771 411.8052       58.73414 117.3111       141.6976 58.04062 4.182696 33.33478 12.68857 24.70584       13.36019 
1 1 1 -56 12 9  o 38.43896 7.021358 177.0276       51.51346 171.2296       55.65873 211.6597       136.0306 37.16524 6.190049 39.71268 12.60481 -2.547447      14.04272 
1 1 1 -56 12 10 o 38.02657 6.974778 189.9000       50.29672 192.6799       53.97511 171.5645       138.6185 39.46677 5.652747 36.58636 12.75290 2.880409       13.94956 
1 1 1 -56 12 11 o 97.19346 4.065392 1173.661       70.70961 1174.387       77.43532 1170.018       173.4624 98.12004 3.261963 96.26688 7.447767 1.853165       8.130783 
1 1 1 -56 12 12 o 65.54420 5.616087 551.0339       59.58248 552.0351       64.02182 544.5568       162.8436 67.08781 3.944411 64.00061 10.51681 3.087196       11.23217 
1 1 1 -56 12 13 o 24.64250 7.313013 41.03142       51.78773 42.13630       54.95915 32.27840       154.6901 20.74841 7.901164 28.53660 12.30822 -7.788193      14.62603 
1 1 1 -56 12 14 o 58.74368 6.182579 433.0387       60.62800 421.2775       65.63875 501.3682       158.2114 58.25567 4.657145 59.23168 11.45461 -0.9760094     12.36516 
1 1 1 -56 12 15 o 36.70132 7.646623 179.9469       56.41027 175.9644       60.40017 207.1386       157.8244 36.32248 7.127769 37.08018 13.53064 -0.7577019     15.29325 
1 1 1 -56 12 16 o 17.92196 6.162929 -90.83104      54.84868 -102.8428      59.86842 -28.07853      136.8388 12.33496 6.031794 23.50895 10.74915 -11.17399      12.32586 
1 1 1 -56 12 17 o 25.78287 7.022202 89.40796       61.03065 113.9197       66.97795 -30.51755      148.1497 28.02539 8.839344 23.54035 10.91381 4.485044       14.04440 
1 1 1 -56 12 18 o 24.86889 7.303061 75.97916       59.30057 78.35507       63.94782 61.39202       158.4514 23.60632 8.612981 26.13146 11.79641 -2.525145      14.60612 
1 1 1 -56 14 1  f 37.19518 6.784328 212.8308       52.76348 233.4876       56.77377 81.91553       142.9263 43.46357 5.399083 30.92678 12.44823 12.53680       13.56866 
1 1 1 -56 14 2  o 42.82961 6.935541 249.2113       53.02864 253.8430       57.20778 220.9399       141.3381 45.37362 5.211340 40.28560 12.85492 5.088013       13.87108 
1 1 1 -56 14 3  o 45.81213 6.816104 354.8248       54.90010 389.8889       59.37436 148.1261       144.1573 56.40651 4.350783 35.21775 12.91928 21.18877       13.63221 
1 1 1 -56 14 4  o 78.88889 4.806274 881.3912       65.77042 940.7446       72.96147 624.0333       151.9287 87.83639 3.433340 69.94138 8.978488 17.89500       9.612548 
1 1 1 -56 14 5  o 78.66768 4.667198 784.1905       63.22159 790.3641       68.77148 750.5057       160.6409 80.49110 3.531492 76.84425 8.640574 3.646858       9.334395 
1 1 1 -56 14 6  o 32.12415 7.357349 106.4395       49.22556 94.74342       52.95340 180.8447       133.5596 27.06740 7.712451 37.18091 12.53158 -10.11351      14.71470 
1 1 1 -56 14 7  o 74.46598 4.438610 621.2479       60.68758 587.6776       66.09293 801.6657       153.2204 69.31446 3.941204 79.61750 7.954367 -10.30304      8.877220 
1 1 1 -56 14 8  o 82.10240 4.573615 871.4183       64.32104 885.2872       70.05179 796.9066       162.3719 85.17445 3.399442 79.03036 8.492091 6.144081       9.147230 
1 1 1 -56 14 9  o 53.30924 6.419513 291.9113       55.52650 265.0816       58.97753 501.2493       164.7413 46.29023 5.266171 60.32825 11.70931 -14.03801      12.83903 
1 1 1 -56 14 10 o 70.40958 5.450341 639.1128       61.75003 642.1422       66.32373 619.3932       169.2163 72.39472 3.786690 68.42444 10.22183 3.970284       10.90068 
1 1 1 -56 14 11 o 64.35495 6.361038 520.9266       61.03572 513.1466       64.89227 580.6068       179.7283 64.57613 4.153543 64.13378 12.02495 0.4423447      12.72208 
1 1 1 -56 14 12 o 98.89922 4.362771 1203.938       74.58599 1190.965       80.87000 1277.811       192.9846 98.58430 3.390606 99.21412 8.039830 -0.6298141     8.725542 
1 1 1 -56 14 13 o 20.16611 6.688391 -57.52436      54.23621 -70.88423      58.54208 23.40274       144.0834 13.45407 6.424246 26.87815 11.73317 -13.42409      13.37678 
1 1 1 -56 14 14 o 26.26370 7.011878 85.78954       55.53740 102.0211       60.43742 -2.309340      140.8026 27.36020 8.359495 25.16720 11.25986 2.192997       14.02376 
1 1 1 -56 14 15 o 30.89099 7.772856 112.5686       55.94152 99.28693       60.33490 193.9322       149.3337 26.76251 8.381737 35.01946 13.09258 -8.256947      15.54571 
1 1 1 -56 14 16 o 43.08749 7.249754 352.6141       63.75719 380.2307       67.95935 149.7918       184.1713 54.45265 5.158553 31.72234 13.55083 22.73031       14.49951 
1 1 1 -56 14 17 o 23.92035 6.229041 74.57048       61.69414 137.2556       66.42330 -319.2148      166.4823 29.99022 8.666604 17.85048 8.949513 12.13973       12.45808 
1 1 1 -56 16 1  o 59.52345 6.661598 525.7422       62.08133 549.8289       67.50167 393.5752       158.1205 66.84928 4.173645 52.19761 12.65260 14.65167       13.32320 
1 1 1 -56 16 2  o 101.3419 3.976034 1236.128       70.82860 1216.838       76.94197 1343.248       181.3167 99.82379 3.185862 102.8601 7.285992 -3.036270      7.952068 
1 1 1 -56 16 3  o 77.96628 3.255823 754.6982       60.78368 635.4578       86.25540 872.3250       85.66980 71.68266 4.973588 84.24989 4.202968 -12.56723      6.511645 
1 1 1 -56 16 4  o 47.69303 4.526275 291.2281       50.91765 247.9708       77.18153 324.5624       67.75310 44.26537 7.206876 51.12070 5.478101 -6.855328      9.052549 
1 1 1 -56 16 5  o 53.11424 4.137057 354.7461       52.64347 319.1610       77.26285 385.5815       71.92198 50.47276 6.327197 55.75573 5.331750 -5.282978      8.274115 
1 1 1 -56 16 6  o 53.02126 4.128612 351.9790       52.73053 322.5543       75.67994 379.7419       73.51177 50.76852 6.161465 55.27401 5.497099 -4.505493      8.257224 
1 1 1 -56 16 7  f 94.23727 3.001083 1093.206       68.31306 1169.901       97.01948 1017.794       96.20420 97.56628 4.110142 90.90826 4.374097 6.658028       6.002166 
1 1 1 -56 16 8  o 89.65466 2.978630 988.2084       64.53709 925.4337       89.61795 1055.833       93.01530 86.67832 4.273485 92.63100 4.150455 -5.952675      5.957261 
1 1 1 -56 16 9  o 61.81607 3.763107 478.3032       56.01719 444.5748       81.15214 509.0006       77.42010 59.61827 5.626240 64.01387 4.998933 -4.395596      7.526215 
1 1 1 -56 16 10 o 77.63083 3.339564 747.9592       62.70810 743.3776       87.62659 752.7686       89.77782 77.40541 4.679100 77.85624 4.766212 -0.4508286     6.679128 
1 1 1 -56 16 11 o 67.32626 3.558289 564.8440       57.87769 606.0803       84.21712 527.9362       79.67448 69.66370 4.996795 64.98882 5.067320 4.674881       7.116579 
1 1 1 -56 16 12 o 43.27870 5.169988 246.7871       52.67058 249.6685       78.69289 244.4487       70.89137 43.02325 7.849370 43.53415 6.730712 -0.5109024     10.33998 
1 1 1 -56 16 13 o 75.79501 3.408406 721.3884       62.45310 744.7795       90.54005 700.1569       86.25941 76.93950 4.863950 74.65052 4.776077 2.288979       6.816812 
1 1 1 -56 16 14 o 58.15639 6.414744 429.5685       61.36371 409.2595       66.09662 556.3355       165.1350 56.85926 4.804804 59.45353 11.89578 -2.594273      12.82949 
1 1 1 -56 16 15 o 33.46409 7.964691 164.2276       60.04285 158.0175       63.90902 210.9459       175.2895 33.03099 8.066832 33.89720 13.73577 -0.8662109     15.92938 
1 1 1 -56 16 16 o 37.24834 8.061953 220.8273       61.97797 210.3023       65.72091 305.4135       186.3120 38.23019 7.372717 36.26649 14.33957 1.963692       16.12391 
1 1 1 -56 18 2  o 41.68519 7.953171 246.3910       70.84843 245.5212       78.74016 250.0892       162.3646 42.87138 7.881927 40.49900 13.81618 2.372387       15.90634 
1 1 1 -56 18 3  o 27.21014 6.457644 96.54627       50.35622 83.64181       75.46909 106.9020       67.60675 26.14933 9.382477 28.27095 8.875461 -2.121622      12.91529 
1 1 1 -56 18 4  o 68.41286 3.699311 585.1379       61.16679 575.8944       88.06657 593.7527       85.01968 67.83381 5.366147 68.99191 5.093531 -1.158104      7.398621 
1 1 1 -56 18 5  o 59.34048 3.881258 441.3297       55.62629 443.1130       81.11497 439.7465       76.42890 59.39371 5.644926 59.28726 5.328365 0.1064529      7.762516 
1 1 1 -56 18 6  o 106.6358 3.822052 1401.484       91.65478 1489.590       164.9066 1362.101       110.2524 108.3671 6.289824 104.9046 4.344015 3.462440       7.644105 
1 1 1 -56 18 7  o 23.69638 6.224948 54.15780       50.52262 103.0528       72.50185 8.001352       70.44221 27.89847 9.229776 19.49428 8.355306 8.404188       12.44990 
1 1 1 -56 18 8  o 21.35316 5.997567 26.56790       48.65284 79.05708       72.52431 -16.38439      65.60575 25.43080 9.188559 17.27551 7.710617 8.155293       11.99513 
1 1 1 -56 18 9  o 75.09703 3.455405 705.8237       62.75513 697.9067       89.69620 713.4150       87.83150 74.64317 4.966857 75.55090 4.805165 -0.9077377     6.910810 
1 1 1 -56 18 10 o 57.46740 4.349894 431.3204       58.10654 299.9291       81.83051 564.9480       82.52399 47.95008 7.053808 66.98472 5.092162 -19.03464      8.699788 
1 1 1 -56 18 11 o 63.63519 3.985805 520.0685       60.77402 442.2940       86.07587 597.3805       85.81957 58.59330 6.071992 68.67707 5.165023 -10.08377      7.971609 
1 1 1 -56 18 12 o 31.09806 6.532646 138.2367       55.34702 196.7116       80.23079 85.14185       76.45094 36.74635 9.077651 25.44977 9.396708 11.29658       13.06529 
1 1 1 -56 18 13 o 63.52496 4.062923 519.0611       60.92218 382.4756       81.66615 690.4488       91.48073 53.77633 6.276949 73.27361 5.160357 -19.49728      8.125846 
1 1 1 -56 18 14 o 48.91101 5.116979 327.5002       60.08554 284.1938       79.69422 384.5429       91.46407 45.17164 7.292202 52.65039 7.180367 -7.478748      10.23396 
1 1 1 -56 20 7  f 27.97103 8.352288 63.21122       83.58562 40.03569       95.32928 140.2737       173.8333 23.47001 9.874736 32.47204 13.47340 -9.002033      16.70458 
1 1 1 -56 20 8  o 30.42262 8.730512 118.3467       91.48624 114.5152       105.4126 130.0416       184.1655 28.90845 10.95834 31.93679 13.59419 -3.028349      17.46102 
1 1 1 -56 20 9  o 33.29117 8.417344 184.0547       90.23890 221.4158       102.3962 54.14634       190.9379 37.75915 10.71290 28.82320 12.98616 8.935949       16.83469 
1 1 1 -56 20 10 o 28.90252 8.026114 118.9837       73.66582 128.2832       80.69779 72.49256       180.4334 29.26425 9.740185 28.54080 12.75942 0.7234535      16.05223 
1 1 1 -56 20 11 o 22.05584 6.427900 44.24549       56.99046 78.53116       79.75791 8.478659       81.46249 24.40284 9.459908 19.70885 8.705272 4.693991       12.85580 
1 1 1 -56 20 12 o 34.86563 6.760334 194.9780       58.97948 209.3940       81.09971 178.7940       85.92879 36.65322 9.168591 33.07805 9.937072 3.575169       13.52067 
1 1 1 -55 1  1  o 137.7131 3.106655 2274.396       89.02316 2247.082       102.1726 2360.500       181.4034 136.1564 3.101659 139.2698 5.383767 -3.113419      6.213311 
1 1 1 -55 1  2  o 87.61737 3.171825 910.9044       58.15794 890.4711       66.77103 975.1339       118.3821 85.71098 3.219952 89.52377 5.465693 -3.812790      6.343650 
1 1 1 -55 1  3  o 157.2834 3.176231 3030.811       104.7217 3058.550       121.2633 2949.435       207.7009 158.8614 3.155067 155.7055 5.513558 3.155869       6.352461 
1 1 1 -55 1  4  o 90.76871 3.166710 1013.132       58.95937 1024.813       67.61903 976.0856       120.4180 91.96402 3.039126 89.57341 5.556612 2.390610       6.333421 
1 1 1 -55 1  5  o 216.3513 3.728951 5682.076       168.2976 5673.034       193.8987 5709.697       338.8843 216.2827 3.705535 216.4200 6.472197 -0.1373444     7.457903 
1 1 1 -55 1  6  o 125.0410 3.028040 1927.251       79.68243 1958.529       92.62374 1838.192       156.2951 127.1324 3.011367 122.9496 5.254311 4.182816       6.056080 
1 1 1 -55 1  7  o 125.7934 2.996107 1887.811       77.98100 1857.685       89.17461 1985.723       160.7623 123.8121 2.976980 127.7747 5.200405 -3.962593      5.992213 
1 1 1 -55 1  8  o 57.73406 3.844878 392.2632       50.60598 367.6245       61.12958 445.9250       90.21432 55.00171 4.593809 60.46642 6.166787 -5.464706      7.689755 
1 1 1 -55 1  9  o 28.74497 4.857576 100.4711       37.08045 167.7649       53.38951 37.76174       51.53881 37.08320 5.950814 20.40674 7.679322 16.67646       9.715152 
1 1 1 -55 1  10 o 51.75358 3.268419 327.1237       40.57371 380.6061       57.89130 275.4904       56.88178 55.94843 4.276841 47.55872 4.943570 8.389709       6.536839 
1 1 1 -55 1  11 o 100.5864 2.530574 1229.168       61.54557 1172.745       86.52001 1286.964       87.56660 98.24221 3.640123 102.9305 3.516350 -4.688293      5.061148 
1 1 1 -55 1  12 o 56.59053 3.205336 390.5887       43.87911 394.6360       62.69511 386.7027       61.43300 56.87541 4.556242 56.30565 4.509698 0.5697594      6.410672 
1 1 1 -55 1  13 o 32.76454 4.979246 138.3905       38.42589 167.0137       54.65841 110.4197       54.03184 36.27119 6.465715 29.25789 7.574039 7.013302       9.958491 
1 1 1 -55 1  14 o 25.64510 5.537704 80.01702       38.98693 114.6550       56.32883 48.16556       54.01558 29.71699 7.753122 21.57320 7.909093 8.143784       11.07541 
1 1 1 -55 1  15 o 19.40617 5.553691 22.34987       40.66301 32.86540       57.60910 11.90915       57.40382 20.33652 7.995049 18.47582 7.710586 1.860695       11.10738 
1 1 1 -55 1  16 o 22.67798 5.929476 54.09791       43.34248 65.18330       60.65389 42.53070       61.95796 23.75475 8.423130 21.60121 8.347792 2.153536       11.85895 
1 1 1 -55 1  17 o 73.51758 3.098496 667.0688       55.07251 633.3949       77.20370 701.9568       78.58321 71.60360 4.456572 75.43156 4.306004 -3.827965      6.196991 
1 1 1 -55 1  18 o 23.13440 6.187405 55.27799       48.35365 81.05791       69.24415 30.74265       67.55202 25.46853 9.003173 20.80026 8.489923 4.668268       12.37481 
1 1 1 -55 1  19 o 25.59532 6.521204 84.40712       51.83815 73.25156       74.39378 94.93562       72.27265 24.61137 9.233130 26.57926 9.211606 -1.967890      13.04241 
1 1 1 -55 3  1  o 108.1672 3.125466 1389.801       69.76963 1361.806       79.61552 1482.451       144.8382 105.9893 3.104800 110.3452 5.425344 -4.355942      6.250931 
1 1 1 -55 3  2  o 179.8794 3.390874 4025.725       129.6115 4133.919       151.8875 3735.872       248.6045 184.6416 3.400088 175.1171 5.867837 9.524445       6.781749 
1 1 1 -55 3  3  o 75.99678 3.421273 701.4792       52.82579 701.1592       60.15340 702.5580       110.4398 76.05324 3.269190 75.94032 6.011059 0.1129227      6.842546 
1 1 1 -55 3  4  o 55.28543 4.097949 362.7715       45.77313 355.3822       51.75859 389.2921       98.05530 54.12055 3.952919 56.45031 7.179635 -2.329765      8.195897 
1 1 1 -55 3  5  o 171.7058 3.277984 3701.143       120.4186 3851.188       142.1927 3320.642       226.4349 178.2405 3.297379 165.1712 5.666393 13.06926       6.555968 
1 1 1 -55 3  6  f 38.42749 5.496667 204.2003       42.66215 222.8896       48.99796 145.6276       86.74200 42.82912 4.728643 34.02586 9.924380 8.803261       10.99333 
1 1 1 -55 3  7  o 53.17093 4.054075 311.0358       44.93507 282.7360       50.83009 412.2546       96.13014 48.24923 4.354399 58.09263 6.839687 -9.843403      8.108150 
1 1 1 -55 3  8  o 93.55106 2.933310 956.1118       56.85285 868.9825       64.11646 1276.621       122.9725 84.66091 3.130288 102.4412 4.961705 -17.78030      5.866619 
1 1 1 -55 3  9  o 84.85196 3.061791 843.1514       54.33381 813.3469       62.18583 939.3218       111.7046 81.89460 3.138585 87.80933 5.258093 -5.914726      6.123582 
1 1 1 -55 3  10 o 23.46490 5.917636 55.48354       38.34270 51.22363       44.47975 67.80489       75.64694 21.23143 7.231477 25.69836 9.369066 -4.466936      11.83527 
1 1 1 -55 3  11 o 49.55513 4.811628 338.8429       44.99894 368.0256       51.84628 249.7323       90.59829 55.00849 3.895701 44.10177 8.799465 10.90672       9.623257 
1 1 1 -55 3  12 o 52.38748 4.202673 317.4072       45.53425 300.5814       51.67514 375.8477       96.30523 49.65018 4.301882 55.12477 7.221057 -5.474586      8.405347 
1 1 1 -55 3  13 o 68.95936 2.955593 580.4667       49.29931 596.4666       69.89940 564.6302       69.54148 69.91187 4.132570 68.00684 4.226580 1.905029       5.911185 
1 1 1 -55 3  14 o 26.43397 5.692389 88.39927       39.99884 102.6629       56.36007 73.92433       56.77604 28.18398 7.931012 24.68396 8.167756 3.500023       11.38478 
1 1 1 -55 3  15 o 77.37071 2.902843 734.2191       54.23109 782.4955       76.41695 685.2352       76.97479 79.97210 3.949562 74.76933 4.255227 5.202774       5.805686 
1 1 1 -55 3  16 o 36.79088 5.133030 176.2471       44.60188 212.7274       62.82513 139.1768       63.33109 41.20945 6.301360 32.37230 8.104620 8.837151       10.26606 
1 1 1 -55 3  17 o 42.29570 4.877522 230.9017       48.55041 258.8450       69.26193 203.9081       68.07475 45.26479 6.324582 39.32661 7.427015 5.938175       9.755044 
1 1 1 -55 3  18 o 23.11375 6.191866 57.65027       47.95610 71.43526       66.64114 42.84467       69.06408 24.32961 8.805329 21.89788 8.707640 2.431723       12.38373 
1 1 1 -55 3  19 o 19.62705 5.776302 1.958824       50.70683 68.12565       69.52206 -73.24762      74.11907 23.81073 8.927079 15.44337 7.332799 8.367360       11.55260 
1 1 1 -55 5  1  o 62.60743 4.038075 470.4830       48.91626 465.6070       54.57058 490.4224       110.3517 61.94064 3.641502 63.27423 7.208582 -1.333595      8.076150 
1 1 1 -55 5  2  o 213.5463 3.730242 5583.512       166.3035 5615.635       192.0470 5487.210       332.5226 215.1249 3.689899 211.9677 6.484092 3.157227       7.460483 
1 1 1 -55 5  3  o 124.7648 3.149786 1970.709       80.93338 2050.045       93.73228 1738.251       160.4452 130.0553 2.978919 119.4742 5.550733 10.58112       6.299571 
1 1 1 -55 5  4  o 120.1304 3.000196 1704.088       74.27468 1662.038       84.61171 1845.330       155.0708 117.1046 2.986444 123.1563 5.204408 -6.051697      6.000392 
1 1 1 -55 5  5  o 124.4067 3.082502 1917.602       79.52364 1954.873       91.85484 1806.068       158.8977 127.0017 2.989442 121.8116 5.391709 5.190094       6.165005 
1 1 1 -55 5  6  o 48.65625 4.283477 225.1291       43.47979 171.4442       48.68592 436.6449       96.63819 37.52734 5.362327 59.78516 6.681178 -22.25783      8.566954 
1 1 1 -55 5  7  o 44.45663 5.469094 243.8336       44.33002 242.0238       49.00044 251.9929       104.0419 44.62238 4.538841 44.29087 9.952028 0.3315125      10.93819 
1 1 1 -55 5  8  o 82.77428 3.245887 848.9591       54.99079 863.3027       63.10391 803.6882       112.1081 84.37564 3.091270 81.17293 5.708518 3.202713       6.491774 
1 1 1 -55 5  9  o 212.6874 3.900756 5574.989       190.6047 5702.039       236.7389 5340.869       321.3682 216.4711 4.520302 208.9038 6.358495 7.567322       7.801512 
1 1 1 -55 5  10 o 52.88662 4.284592 351.8456       46.08966 360.3193       52.87616 325.0446       94.03686 54.42933 4.015360 51.34391 7.570191 3.085426       8.569184 
1 1 1 -55 5  11 o 69.76794 3.889185 660.9037       52.73595 717.1216       60.58254 485.0684       107.1429 76.83221 3.259131 62.70367 7.062655 14.12855       7.778369 
1 1 1 -55 5  12 o 47.27426 5.367130 288.2075       46.44460 292.0397       51.78733 272.4569       104.9906 48.91299 4.376198 45.63552 9.801695 3.277473       10.73426 
1 1 1 -55 5  13 o 53.10697 5.011979 373.9845       48.82548 387.2612       54.91177 323.8549       106.7009 56.32467 4.029624 49.88928 9.178337 6.435383       10.02396 
1 1 1 -55 5  14 o 87.13374 3.507386 927.5006       60.97170 923.0422       68.89649 943.6051       130.9423 87.04620 3.271486 87.22130 6.205192 -0.1751022     7.014771 
1 1 1 -55 5  15 o 51.94608 5.478899 384.7578       49.78264 409.5308       55.72615 286.8531       110.7825 57.82447 3.983319 46.06770 10.20816 11.75677       10.95780 
1 1 1 -55 5  16 o 68.71112 3.278271 584.9938       54.00636 681.6455       77.05481 491.6720       75.71583 74.41280 4.280060 63.00944 4.966824 11.40335       6.556542 
1 1 1 -55 5  17 o 20.00048 5.758752 26.92141       43.82344 29.52350       62.67741 24.43268       61.29704 20.29023 8.216494 19.71072 8.071068 0.5795097      11.51750 
1 1 1 -55 5  18 f 39.70726 5.326880 209.5493       49.98074 178.9933       69.38251 242.5096       72.06039 36.13317 8.132977 43.28135 6.881665 -7.148174      10.65376 
1 1 1 -55 5  19 o 44.98938 5.311689 284.3000       54.03734 354.7808       73.64949 202.1160       79.52947 52.48306 5.800272 37.49570 8.900170 14.98735       10.62338 
1 1 1 -55 7  1  o 29.36292 6.326722 108.9226       42.73727 115.8531       47.10098 76.63296       101.6665 30.17866 6.631990 28.54719 10.77619 1.631466       12.65344 
1 1 1 -55 7  2  o 47.84233 5.527844 303.5013       48.28202 314.7604       54.04740 259.0125       107.4350 50.87812 4.390778 44.80655 10.14639 6.071568       11.05569 
1 1 1 -55 7  3  o 39.86878 5.621344 193.6834       44.23134 189.6022       49.76213 209.0422       96.53541 39.45337 5.213299 40.28419 9.960901 -0.8308258     11.24269 
1 1 1 -55 7  4  o 74.11017 3.687966 734.2246       54.25540 795.2440       62.72810 553.0042       108.1015 80.97666 3.201842 67.24368 6.644740 13.73299       7.375931 
1 1 1 -55 7  5  o 66.27550 3.908638 522.9404       50.40035 514.6409       56.25675 556.6924       113.4482 65.12119 3.570673 67.42981 6.954142 -2.308624      7.817276 
1 1 1 -55 7  6  o 93.95291 3.352069 1137.535       63.04930 1193.764       72.36099 960.2618       128.4827 99.22253 3.014338 88.68330 5.988258 10.53924       6.704138 
1 1 1 -55 7  7  o 171.9323 3.445191 3678.110       122.8404 3756.247       141.9861 3445.568       244.9459 175.9420 3.335600 167.9225 6.029190 8.019547       6.890382 
1 1 1 -55 7  8  o 66.15422 4.033409 581.4326       50.99125 616.4841       57.78878 458.1797       108.3650 71.26559 3.351670 61.04285 7.337565 10.22275       8.066818 
1 1 1 -55 7  9  o 94.48117 3.311867 1096.479       62.70923 1103.274       71.14494 1072.814       132.7696 95.34383 3.084247 93.61852 5.861849 1.725304       6.623734 
1 1 1 -55 7  10 o 34.19702 6.107965 145.3716       43.22036 143.1219       48.35272 154.3129       96.39768 33.63611 6.169071 34.75793 10.54379 -1.121819      12.21593 
1 1 1 -55 7  11 o 155.8589 3.279852 2911.568       104.0815 2864.708       118.2126 3073.171       219.5258 153.5285 3.182530 158.1894 5.735960 -4.660858      6.559705 
1 1 1 -55 7  12 o 41.98440 5.808220 194.3458       47.20274 174.2359       52.25469 283.5217       110.0384 37.61945 5.741304 46.34935 10.09847 -8.729904      11.61644 
1 1 1 -55 7  13 f 19.07597 5.778021 7.844204       44.57711 33.67873       49.24589 -109.3516      104.8880 19.48714 7.465237 18.66479 8.821132 0.8223476      11.55604 
1 1 1 -55 7  14 o 112.9911 3.604023 1600.609       88.40148 1637.148       104.8886 1511.005       164.2520 115.7408 3.745756 110.2413 6.158347 5.499557       7.208046 
1 1 1 -55 7  15 o 68.62634 4.609661 645.6332       58.40179 682.9100       65.59817 503.1529       128.2479 74.70419 3.629480 62.54848 8.474832 12.15571       9.219322 
1 1 1 -55 7  16 o 27.56894 5.873220 113.1779       51.58989 161.8031       56.50517 -130.3986      126.4665 35.15613 6.889675 19.98175 9.513740 15.17438       11.74644 
1 1 1 -55 7  17 o 44.79427 6.329858 225.4119       55.18639 193.7500       61.02533 367.5193       129.2856 38.96056 6.474149 50.62799 10.87905 -11.66743      12.65972 
1 1 1 -55 7  18 o 17.96814 5.627468 -8.963861      48.56060 0.9490899      68.98495 -18.70067      68.36932 18.60211 8.119597 17.33418 7.793953 1.267931       11.25494 
1 1 1 -55 7  19 o 32.62778 8.735629 155.3760       70.32945 155.3760       70.32945 0.000000       0.000000 32.62778 8.735629 ?        ?        ?              ?        
1 1 1 -55 9  1  o 18.75581 5.639175 8.428033       42.12382 36.72856       45.62988 -154.7888      109.5808 19.53225 7.250035 17.97938 8.639339 1.552874       11.27835 
1 1 1 -55 9  2  o 64.74783 4.470421 516.0977       53.99205 517.2984       59.76448 510.7674       125.9231 65.23360 3.786775 64.26205 8.099321 0.9715576      8.940843 
1 1 1 -55 9  3  o 137.9985 3.298630 2400.057       92.75195 2474.133       106.6518 2170.137       187.8966 142.7919 3.087184 133.2051 5.830364 9.586792       6.597261 
1 1 1 -55 9  4  o 56.33237 5.201274 436.0755       50.74060 460.1624       56.49151 335.5146       115.4272 61.53576 3.794489 51.12897 9.685807 10.40680       10.40255 
1 1 1 -55 9  5  o 121.4976 3.342589 1886.006       81.72251 1964.031       93.76839 1639.500       166.6678 127.2314 3.046211 115.7638 5.950816 11.46758       6.685178 
1 1 1 -55 9  6  o 72.37297 4.197282 681.0529       55.43979 704.4843       61.53318 580.0119       127.7788 76.17260 3.338937 68.57333 7.701961 7.599266       8.394564 
1 1 1 -55 9  7  o 103.2961 3.417409 1348.191       70.30988 1386.724       80.06379 1218.323       146.9864 106.8871 3.096055 99.70506 6.093371 7.182030       6.834817 
1 1 1 -55 9  8  o 73.10601 4.117404 672.8876       55.92150 683.5749       62.04874 626.6508       129.0603 75.00342 3.419398 71.20860 7.491315 3.794815       8.234809 
1 1 1 -55 9  9  o 43.70061 5.960443 270.0564       46.83482 286.0934       51.83862 198.8102       109.2628 48.42871 4.424337 38.97250 11.06945 9.456211       11.92089 
1 1 1 -55 9  10 o 113.3905 3.479887 1612.225       86.59991 1670.570       103.8314 1478.882       156.9696 117.1365 3.663822 109.6445 5.917336 7.491936       6.959774 
1 1 1 -55 9  11 o 101.6988 3.453314 1285.175       69.61916 1298.914       78.77577 1236.169       148.7799 103.3412 3.150772 100.0564 6.146067 3.284813       6.906627 
1 1 1 -55 9  12 o 133.2695 3.317882 2233.184       90.16264 2283.918       103.5200 2073.766       183.5037 136.9883 3.123478 129.5506 5.854677 7.437714       6.635764 
1 1 1 -55 9  13 o 89.21321 3.664946 939.3281       63.07827 912.7566       70.05328 1053.183       145.0092 86.51603 3.346799 91.91039 6.521215 -5.394363      7.329891 
1 1 1 -55 9  14 o 56.63418 6.111952 465.9500       55.36644 488.5298       60.49383 349.4349       137.4175 63.13071 3.960665 50.13765 11.56447 12.99306       12.22390 
1 1 1 -55 9  15 o 57.67934 6.265185 452.8944       58.69578 459.1329       63.77207 418.3225       150.1250 61.03114 4.318935 54.32754 11.76252 6.703598       12.53037 
1 1 1 -55 9  16 o 33.42946 6.579268 175.0388       55.34473 203.1967       60.47146 29.77989       137.3479 40.03643 6.242992 26.82248 11.58327 13.21395       13.15854 
1 1 1 -55 9  17 f 18.33980 6.091283 -36.24972      52.58377 -27.51669      57.66869 -79.32184      128.0724 15.40174 7.017280 21.27785 9.958549 -5.876117      12.18257 
1 1 1 -55 9  18 o 19.14550 6.405462 -66.58055      55.04768 -86.23777      60.41916 29.45866       133.5482 12.95357 6.271199 25.33744 11.17103 -12.38387      12.81092 
1 1 1 -55 9  19 o 20.14470 6.519456 1.016162       54.07844 1.290594       58.87863 -0.4640095     136.7401 16.91661 7.439407 23.37280 10.70833 -6.456190      13.03891 
1 1 1 -55 11 1  f 116.8491 3.368998 1688.588       77.79993 1703.104       87.87190 1635.931       167.3584 118.3899 3.067843 115.3083 5.999078 3.081528       6.737997 
1 1 1 -55 11 2  o 23.03611 6.761270 2.170599       45.13080 -12.25961      48.64754 91.29090       120.8962 15.34659 6.755286 30.72563 11.71432 -15.37904      13.52254 
1 1 1 -55 11 3  o 22.75393 6.630313 0.1202306      44.16244 -16.09080      47.81682 94.18203       115.1813 14.92862 6.627871 30.57924 11.48545 -15.65062      13.26063 
1 1 1 -55 11 4  o 49.29198 5.750204 297.9871       48.87106 293.6312       53.25259 321.2374       123.0314 49.06107 4.486436 49.52288 10.58920 -0.4618187     11.50041 
1 1 1 -55 11 5  o 126.4919 3.431951 2017.893       85.86634 2067.851       97.43163 1844.140       181.7045 130.4823 3.086355 122.5015 6.130869 7.980865       6.863902 
1 1 1 -55 11 6  o 47.82766 6.325316 333.7041       50.35044 352.9346       54.87444 231.2909       126.6349 53.80700 4.215305 41.84833 11.92769 11.95867       12.65063 
1 1 1 -55 11 7  o 62.54076 4.937833 523.3273       54.66404 544.9464       60.38094 425.1041       128.7027 66.90527 3.730244 58.17625 9.144073 8.729015       9.875667 
1 1 1 -55 11 8  o 33.78748 6.356120 165.5959       48.62954 186.3572       53.38122 64.30696       117.9076 38.94376 5.665632 28.63121 11.37988 10.31255       12.71224 
1 1 1 -55 11 9  o 51.96703 6.372960 435.6814       54.77581 482.4890       60.55532 224.9851       128.4762 62.88834 3.979971 41.04572 12.10860 21.84262       12.74592 
1 1 1 -55 11 10 o 38.77446 6.470085 239.9082       49.47694 265.3121       53.56754 92.37359       129.0917 46.52118 4.759362 31.02775 12.03314 15.49342       12.94017 
1 1 1 -55 11 11 o 75.35275 4.339985 623.3203       56.90788 591.2554       61.20175 828.0786       154.6568 69.61008 3.634037 81.09542 7.882617 -11.48534      8.679970 
1 1 1 -55 11 12 o 110.6774 3.680044 1472.688       76.58464 1450.007       84.62980 1575.253       179.9681 109.0655 3.207254 112.2892 6.624531 -3.223701      7.360087 
1 1 1 -55 11 13 o 57.49607 5.960824 429.9451       55.72165 430.3080       60.33480 427.8406       145.2976 59.19014 4.213240 55.80201 11.15232 3.388126       11.92165 
1 1 1 -55 11 14 o 80.65452 4.931049 923.8953       67.31048 974.7045       74.07404 683.1648       161.2353 89.23047 3.431236 72.07857 9.245951 17.15190       9.862099 
1 1 1 -55 11 15 o 113.3181 3.843449 1608.141       80.79991 1608.046       89.35940 1608.566       189.1906 114.5773 3.223586 112.0589 6.978316 2.518379       7.686898 
1 1 1 -55 11 16 f 38.51683 7.708039 171.4102       57.82167 148.5586       62.51377 306.7222       152.1198 32.96466 7.934095 44.06901 13.21762 -11.10435      15.41608 
1 1 1 -55 11 17 o 22.94908 6.946687 36.71505       58.32259 43.32644       64.61755 7.656157       135.4702 21.20185 8.425251 24.69631 11.04722 -3.494465      13.89337 
1 1 1 -55 11 18 o 18.01192 6.168298 -58.79881      54.99914 -59.58237      59.55132 -54.25342      143.4298 13.76421 6.546350 22.25964 10.45643 -8.495432      12.33660 
1 1 1 -55 11 19 o 17.50706 7.890722 -5.350225      70.57388 -5.350225      70.57388 0.000000       0.000000 17.50706 7.890722 ?        ?        ?              ?        
1 1 1 -55 13 1  o 93.99534 4.340849 1254.797       72.15287 1354.478       80.66382 855.8001       161.3831 105.4971 3.160354 82.49353 8.086040 23.00362       8.681698 
1 1 1 -55 13 2  o 97.13208 3.700587 1162.473       68.89260 1164.594       76.88646 1153.837       155.1660 97.82142 3.248730 96.44274 6.650048 1.378677       7.401175 
1 1 1 -55 13 3  o 72.15533 5.103195 762.9963       60.41283 819.4185       66.43184 493.2778       145.2469 82.04734 3.346644 62.26331 9.642115 19.78403       10.20639 
1 1 1 -55 13 4  o 112.9871 3.641640 1636.446       78.78059 1685.180       88.55479 1451.517       172.5031 117.7163 3.109376 108.2580 6.586194 9.458244       7.283280 
1 1 1 -55 13 5  o 55.93677 5.784396 375.2490       52.90354 366.4148       56.94563 430.9340       142.9696 54.75798 4.298437 57.11556 10.74060 -2.357574      11.56879 
1 1 1 -55 13 6  o 38.96259 6.727428 186.5291       48.51097 183.5111       52.37271 204.7591       128.7190 38.60763 5.606989 39.31756 12.23090 -0.7099342     13.45486 
1 1 1 -55 13 7  o 74.64281 4.290436 643.0864       59.87089 618.4767       65.71699 763.2362       145.2067 71.19910 3.815055 78.08653 7.686137 -6.887436      8.580872 
1 1 1 -55 13 8  o 89.87328 4.033681 957.7621       65.75651 938.3278       71.86610 1057.704       162.9715 87.76057 3.384717 91.98598 7.322978 -4.225418      8.067362 
1 1 1 -55 13 9  o 53.26311 5.532603 299.5262       53.83192 273.1055       58.23718 454.6104       141.0950 47.10561 5.110054 59.42061 9.814588 -12.31500      11.06521 
1 1 1 -55 13 10 o 55.10686 6.075024 330.1110       54.91925 307.6520       58.65900 489.5895       156.3114 50.00224 4.848896 60.21149 11.14055 -10.20925      12.15005 
1 1 1 -55 13 11 o 112.0272 4.354335 1697.914       98.95214 1841.340       115.6643 1306.365       191.1072 122.6171 3.898934 101.4373 7.787120 21.17976       8.708670 
1 1 1 -55 13 12 o 97.23300 4.199986 1147.266       71.30757 1132.261       77.40466 1231.410       183.3023 96.25362 3.323898 98.21239 7.714351 -1.958763      8.399971 
1 1 1 -55 13 13 o 81.04904 4.669164 816.5182       64.87771 810.1328       70.28369 853.3016       168.6889 81.27969 3.574129 80.81839 8.627281 0.4612961      9.338328 
1 1 1 -55 13 14 f 32.52673 6.571986 163.1157       54.14235 188.5825       58.88011 23.70018       137.7642 38.53128 6.316156 26.52218 11.52693 12.00910       13.14397 
1 1 1 -55 13 15 o 31.37088 7.288108 141.8231       55.80868 152.7814       59.73995 66.68650       156.4292 33.57319 7.539258 29.16857 12.47500 4.404619       14.57622 
1 1 1 -55 13 16 o 25.24529 6.950557 77.80595       57.65848 98.61993       62.93193 -31.00536      143.8900 26.68976 8.584259 23.80082 10.93396 2.888935       13.90111 
1 1 1 -55 13 17 o 34.75287 7.645662 180.9615       60.93151 175.1813       66.93367 208.9233       147.2166 34.95015 8.077703 34.55558 12.98365 0.3945656      15.29132 
1 1 1 -55 13 18 o 20.29086 6.491363 14.32717       60.93597 40.21739       65.81918 -140.9875      161.2096 20.16908 8.323175 20.41265 9.963731 -0.2435760     12.98273 
1 1 1 -55 15 1  o 57.36206 6.347383 493.4243       55.21947 519.4624       59.78746 342.2963       144.0382 65.16730 3.792085 49.55683 12.11516 15.61047       12.69477 
1 1 1 -55 15 2  o 53.24477 6.794509 368.8333       57.01062 367.7834       61.06243 375.9667       159.1586 54.71033 4.613202 51.77920 12.78201 2.931137       13.58902 
1 1 1 -55 15 3  o 53.75224 6.906520 484.0071       56.79659 523.6895       61.31710 244.2594       150.7163 65.44533 3.872582 42.05915 13.25908 23.38618       13.81304 
1 1 1 -55 15 4  o 27.85936 7.352536 85.38506       58.60529 95.97291       64.82457 38.01309       137.1186 27.49914 8.698520 28.21958 11.85643 -0.7204361     14.70507 
1 1 1 -55 15 5  o 45.63386 4.245708 254.7373       46.42378 284.3891       71.98152 233.6200       60.74558 47.83398 6.219883 43.43373 5.780763 4.400242       8.491417 
1 1 1 -55 15 6  o 22.96374 5.993464 55.26998       43.84747 54.60980       65.42088 55.80843       59.08189 23.17721 8.665609 22.75027 8.282130 0.4269409      11.98693 
1 1 1 -55 15 7  o 30.23581 6.028419 120.8965       46.75983 93.62234       68.65831 144.4910       63.85899 27.33966 8.978766 33.13195 8.046680 -5.792288      12.05684 
1 1 1 -55 15 8  o 72.00445 3.320641 638.1569       57.84428 632.1212       81.29427 644.3464       82.32378 71.66154 4.688906 72.34736 4.703275 -0.6858215     6.641283 
1 1 1 -55 15 9  o 71.45800 3.326298 628.7664       56.96613 519.9427       78.60922 749.1193       82.66852 64.86361 5.009219 78.05239 4.377757 -13.18878      6.652596 
1 1 1 -55 15 10 o 23.21167 5.817323 56.34308       45.13224 -2.644340      69.50275 99.35130       59.34689 18.88956 8.198515 27.53377 8.255262 -8.644217      11.63465 
1 1 1 -55 15 11 o 68.46390 3.545297 596.1908       57.02063 450.5762       82.54110 729.1180       78.86327 60.01678 5.684538 76.91102 4.238224 -16.89424      7.090594 
1 1 1 -55 15 12 o 28.51217 8.158352 69.92052       66.48229 62.36941       71.94563 114.0512       173.9280 23.99855 9.063755 33.02579 13.56773 -9.027237      16.31670 
1 1 1 -55 15 13 o 45.98737 7.291101 319.7325       58.42019 329.3504       62.81063 258.0607       159.0506 51.28842 5.061877 40.68631 13.67545 10.60211       14.58220 
1 1 1 -55 15 14 o 46.75122 7.228382 353.0847       60.04475 371.0606       64.97005 247.8287       157.2140 54.32931 4.942842 39.17314 13.58552 15.15617       14.45676 
1 1 1 -55 15 15 o 44.46250 7.539793 313.9941       60.24713 320.8668       64.34063 265.0803       171.6471 50.15154 5.302721 38.77346 14.11648 11.37808       15.07959 
1 1 1 -55 15 16 o 32.37437 7.868014 34.85392       56.70074 -14.24196      60.02779 441.2849       172.7123 16.13518 7.274392 48.61357 13.95370 -32.47839      15.73603 
1 1 1 -55 15 17 o 19.44234 6.665385 -74.87646      58.73131 -99.86108      63.32624 78.78644       157.0477 12.58785 6.165618 26.29684 11.81925 -13.70899      13.33077 
1 1 1 -55 17 1  o 64.58533 3.680840 520.0923       57.20958 457.6976       80.57041 583.5392       81.24696 60.56609 5.498494 68.60458 4.894988 -8.038494      7.361681 
1 1 1 -55 17 2  o 76.05663 3.327283 715.2327       61.21338 705.9537       87.02281 724.3206       86.12180 75.54887 4.761051 76.56438 4.649262 -1.015511      6.654566 
1 1 1 -55 17 3  o 23.29609 6.146495 50.36463       48.18082 90.65105       70.81750 15.64673       65.74126 26.90177 9.124834 19.69041 8.237414 7.211365       12.29299 
1 1 1 -55 17 4  o 74.43986 3.361343 683.5655       60.48620 720.7120       87.48183 649.5428       83.72274 76.38074 4.734038 72.49897 4.773196 3.881775       6.722687 
1 1 1 -55 17 5  o 152.6021 2.914019 2862.552       107.5837 2865.924       151.7241 2859.142       152.5721 152.7008 4.106871 152.5033 4.135170 0.1974487      5.828038 
1 1 1 -55 17 6  o 49.72149 4.522037 318.6175       52.78033 242.5160       76.74476 386.9169       72.70435 43.66911 7.263937 55.77386 5.387996 -12.10476      9.044074 
1 1 1 -55 17 7  f 53.60600 4.138448 358.7867       53.60459 377.6135       78.23312 342.1257       73.59589 54.91747 5.888136 52.29454 5.816945 2.622929       8.276896 
1 1 1 -55 17 8  o 24.35884 6.250784 68.04362       48.06501 49.85254       71.24186 83.24198       65.11850 22.95618 8.929063 25.76151 8.749917 -2.805332      12.50157 
1 1 1 -55 17 9  o 58.69730 3.967579 431.3470       55.76728 516.1402       80.93445 354.6970       76.95002 64.32893 5.200256 53.06568 5.993668 11.26326       7.935157 
1 1 1 -55 17 10 o 43.40078 5.029566 245.8521       51.28309 237.4164       76.01138 252.9001       69.47859 42.22194 7.725824 44.57962 6.441876 -2.357674      10.05913 
1 1 1 -55 17 11 o 87.42573 3.219466 945.1959       67.61200 799.6987       92.07509 1115.459       99.60368 80.05946 4.753650 94.79200 4.343115 -14.73254      6.438931 
1 1 1 -55 17 12 o 29.83051 6.471426 123.4958       50.79689 133.9425       77.41483 115.5972       67.31474 30.79486 9.469762 28.86616 8.822758 1.928705       12.94285 
1 1 1 -55 17 13 o 19.06450 5.794770 -5.108625      50.59853 50.51317       73.95982 -54.04719      69.37436 22.53780 8.995569 15.59119 7.307338 6.946611       11.58954 
1 1 1 -55 17 14 f 53.62309 5.367277 406.1425       60.85002 199.1216       83.49379 640.6674       88.86720 36.53110 9.394141 70.71508 5.194301 -34.18398      10.73455 
1 1 1 -55 17 15 o 58.37518 4.670122 457.2494       65.63668 401.5091       89.17994 523.1331       96.95534 54.35363 6.781664 62.39672 6.422553 -8.043091      9.340243 
1 1 1 -55 19 3  o 33.01234 8.320062 152.9133       85.12903 183.8192       102.8065 85.49673       151.8392 35.77152 10.89699 30.25315 12.57574 5.518366       16.64012 
1 1 1 -55 19 4  o 71.58282 3.633946 640.8599       62.91509 650.7132       90.33790 631.5794       87.67270 72.09849 5.178947 71.06717 5.099094 1.031319       7.267892 
1 1 1 -55 19 5  o 21.33615 6.078866 35.36217       48.25700 46.64635       70.58275 25.45789       66.12642 22.41836 8.838100 20.25393 8.348559 2.164433       12.15773 
1 1 1 -55 19 6  o 24.23696 6.150374 65.04330       50.18204 4.079361       76.80232 110.4591       66.28895 19.93301 8.634822 28.54090 8.760610 -8.607891      12.30075 
1 1 1 -55 19 7  o 18.68218 5.693034 -20.09933      50.64296 48.41046       72.74849 -84.51696      70.54236 22.68306 8.963057 14.68131 7.021833 8.001746       11.38607 
1 1 1 -55 19 8  o 33.72235 5.967306 153.8617       51.32359 234.1935       75.50713 84.87318       69.97337 41.68412 7.773072 25.76058 9.056174 15.92354       11.93461 
1 1 1 -55 19 9  o 41.01467 5.623616 247.0957       56.28246 82.89595       81.02599 400.1903       78.23803 25.95807 9.655986 56.07127 5.767335 -30.11320      11.24723 
1 1 1 -55 19 10 o 66.44437 3.960156 565.2198       62.75109 454.6213       87.62201 681.6671       89.90907 59.42752 6.094292 73.46121 5.058749 -14.03369      7.920311 
1 1 1 -55 19 11 o 50.13835 4.894664 331.9833       59.30731 311.3878       82.48225 354.0292       85.33698 48.45998 7.035177 51.81672 6.807146 -3.356739      9.789328 
1 1 1 -55 19 12 o 53.78112 4.690261 385.2430       60.80138 414.1729       85.21400 355.2402       86.77967 56.09354 6.279077 51.46870 6.969032 4.624836       9.380523 
1 1 1 -55 19 13 o 32.09267 6.756221 156.5078       56.82299 121.0069       75.59982 202.6079       86.14939 28.17077 9.428522 36.01458 9.679312 -7.843807      13.51244 
1 1 1 -55 19 14 o 27.38313 6.144481 106.1947       59.21415 208.5306       78.11821 -32.01891      90.78492 36.59143 8.907793 18.17484 8.465802 18.41660       12.28896 
1 1 1 -55 21 8  o 33.62210 13.99290 183.2243       188.3103 0.000000       0.000000 183.2243       188.3103 ?        ?        33.62210 13.99290 ?              ?        
1 1 1 -55 21 9  o 26.03073 8.117608 39.53477       87.02510 9.986913       100.5105 128.0190       173.9329 21.62558 9.604800 30.43588 13.08931 -8.810303      16.23522 
1 1 1 -55 21 10 o 26.00459 7.699611 69.23572       92.41807 145.6276       105.0263 -192.8614      194.5385 30.10091 11.02955 21.90828 10.74640 8.192629       15.39922 
1 1 1 -55 21 11 o 49.24042 8.018099 499.3294       98.17930 577.7513       112.9736 257.3468       198.4498 64.33946 7.257673 34.14137 14.29985 30.19809       16.03620 
1 1 1 -54 0  1  o 147.0507 2.740789 2624.863       137.6821 2624.863       137.6821 2624.863       137.6821 147.0507 3.876061 147.0507 3.876061 0.000000       0.000000 
1 1 1 -54 0  2  o 24.87680 7.287199 105.8058       61.67490 105.8058       61.67490 105.8058       61.67490 24.87680 10.30566 24.87680 10.30566 0.000000       0.000000 
1 1 1 -54 0  3  o 84.68851 2.780429 874.2718       80.17070 874.2718       80.17070 874.2718       80.17070 84.68851 3.932121 84.68851 3.932121 0.000000       0.000000 
1 1 1 -54 0  4  o 134.9826 2.639692 2211.548       121.7017 2211.548       121.7017 2211.548       121.7017 134.9826 3.733088 134.9826 3.733088 0.000000       0.000000 
1 1 1 -54 0  5  o 36.15253 4.890819 174.8866       54.08118 174.8866       54.08118 174.8866       54.08118 36.15253 6.916662 36.15253 6.916662 0.000000       0.000000 
1 1 1 -54 0  6  o 85.48820 2.733823 890.5632       79.59149 890.5632       79.59149 890.5632       79.59149 85.48820 3.866209 85.48820 3.866209 0.000000       0.000000 
1 1 1 -54 0  7  o 98.16318 2.568875 1171.797       86.01157 1171.797       86.01157 1171.797       86.01157 98.16318 3.632938 98.16318 3.632938 0.000000       0.000000 
1 1 1 -54 0  8  o 40.76462 4.295100 214.5965       55.99034 214.5965       55.99034 214.5965       55.99034 40.76462 6.074189 40.76462 6.074189 0.000000       0.000000 
1 1 1 -54 0  9  o 85.02341 2.614532 880.6964       75.73159 880.6964       75.73159 880.6964       75.73159 85.02341 3.697507 85.02341 3.697507 0.000000       0.000000 
1 1 1 -54 0  10 o 54.16543 3.225178 363.2765       58.79628 363.2765       58.79628 363.2765       58.79628 54.16543 4.561091 54.16543 4.561091 0.000000       0.000000 
1 1 1 -54 0  11 o 46.81031 3.664298 275.6654       56.85019 275.6654       56.85019 275.6654       56.85019 46.81031 5.182100 46.81031 5.182100 0.000000       0.000000 
1 1 1 -54 0  12 o 57.46043 3.187903 408.1671       61.78712 408.1671       61.78712 408.1671       61.78712 57.46043 4.508376 57.46043 4.508376 0.000000       0.000000 
1 1 1 -54 0  13 o 12.01464 5.441420 3.054305       50.42121 3.054305       50.42121 3.054305       50.42121 12.01464 7.695329 12.01464 7.695329 0.000000       0.000000 
1 1 1 -54 0  14 o 78.15967 2.720857 747.3105       72.36001 747.3105       72.36001 747.3105       72.36001 78.15967 3.847873 78.15967 3.847873 0.000000       0.000000 
1 1 1 -54 0  15 o 40.94506 4.677709 220.5091       60.40144 220.5091       60.40144 220.5091       60.40144 40.94506 6.615280 40.94506 6.615280 0.000000       0.000000 
1 1 1 -54 0  16 o 98.09395 2.663535 1175.716       89.09666 1175.716       89.09666 1175.716       89.09666 98.09395 3.766807 98.09395 3.766807 0.000000       0.000000 
1 1 1 -54 0  17 o 47.70997 4.388882 293.8375       68.29404 293.8375       68.29404 293.8375       68.29404 47.70997 6.206817 47.70997 6.206817 0.000000       0.000000 
1 1 1 -54 0  18 o 16.31222 6.888951 39.38041       68.07462 39.38041       68.07462 39.38041       68.07462 16.31222 9.742448 16.31222 9.742448 0.000000       0.000000 
1 1 1 -54 0  19 o 10.80774 5.277608 -45.16598      65.73295 -45.16598      65.73295 -45.16598      65.73295 10.80774 7.463665 10.80774 7.463665 0.000000       0.000000 
1 1 1 -54 2  1  o 141.8740 3.126183 2439.669       92.80057 2435.551       107.0625 2452.112       186.0939 141.7638 3.121547 141.9843 5.417382 -0.2204590     6.252367 
1 1 1 -54 2  2  o 203.5146 3.596249 5090.456       154.3899 5152.198       179.5014 4914.932       302.6549 206.1425 3.599134 200.8867 6.227220 5.255722       7.192498 
1 1 1 -54 2  3  o 105.9625 3.085699 1374.976       67.61689 1386.759       77.77233 1338.489       136.8563 106.9889 3.004581 104.9361 5.390606 2.052826       6.171397 
1 1 1 -54 2  4  o 134.9374 3.068773 2220.790       86.24666 2231.990       99.44402 2186.794       173.2536 135.7332 3.028239 134.1416 5.338468 1.591675       6.137546 
1 1 1 -54 2  5  f 90.53580 2.993372 951.0986       57.58362 907.2661       66.29491 1085.782       116.2091 86.53141 3.166679 94.54018 5.080674 -8.008766      5.986744 
1 1 1 -54 2  6  o 187.8767 3.420968 4364.025       136.4949 4451.818       159.5990 4124.926       263.3828 191.6431 3.442188 184.1103 5.912988 7.532791       6.841936 
1 1 1 -54 2  7  o 152.4128 3.120959 2877.591       100.9093 2942.996       118.0005 2699.584       194.6687 155.8365 3.129770 148.9892 5.400564 6.847351       6.241919 
1 1 1 -54 2  8  o 108.5879 2.986172 1465.322       68.56335 1503.371       80.10646 1361.095       132.5827 111.3826 2.972678 105.7931 5.179969 5.589462       5.972344 
1 1 1 -54 2  9  o 89.87688 2.962132 935.8120       55.92337 893.3333       64.00867 1072.814       114.9519 85.84531 3.081910 93.90844 5.059520 -8.063126      5.924265 
1 1 1 -54 2  10 o 85.14186 3.118480 924.6744       55.38823 972.5546       64.75654 794.1702       106.9100 89.56355 2.988478 80.72018 5.474365 8.843361       6.236960 
1 1 1 -54 2  11 o 42.01572 3.760045 216.3521       38.03757 195.8746       54.49726 235.8046       53.11584 40.04707 5.624730 43.98438 4.991410 -3.937313      7.520091 
1 1 1 -54 2  12 o 122.4071 2.525498 1821.173       74.78988 1823.228       106.2109 1819.151       105.3323 122.4735 3.584467 122.3407 3.558673 0.1327896      5.050995 
1 1 1 -54 2  13 o 50.73174 3.477216 315.6462       42.56025 295.0059       61.00138 335.2228       59.40878 49.08599 5.136648 52.37748 4.688173 -3.291492      6.954432 
1 1 1 -54 2  14 o 36.36713 4.668445 167.0227       40.01511 172.7742       54.62956 160.3645       58.77766 37.41376 6.035233 35.32051 7.124147 2.093246       9.336890 
1 1 1 -54 2  15 o 37.46651 4.982845 180.6829       43.50003 172.8705       61.44913 188.5306       61.58777 36.59193 7.197536 38.34109 6.892781 -1.749161      9.965690 
1 1 1 -54 2  16 o 69.49374 3.118466 593.6180       52.39904 618.8771       74.25959 568.5703       73.94827 70.98749 4.323828 67.99998 4.494867 2.987503       6.236932 
1 1 1 -54 2  17 o 20.59302 8.177761 33.95557       60.83894 33.95557       60.83894 0.000000       0.000000 20.59302 8.177761 ?        ?        ?              ?        
1 1 1 -54 2  18 o 22.12553 6.027745 48.95279       45.62818 53.90614       64.32308 43.93581       64.73487 22.56613 8.558718 21.68492 8.490183 0.8812065      12.05549 
1 1 1 -54 2  19 o 27.29167 6.426380 101.4527       49.92152 89.30337       72.30106 112.5220       69.01303 26.11425 9.203158 28.46909 8.971917 -2.354834      12.85276 
1 1 1 -54 4  1  o 211.0519 3.698958 5198.080       156.8217 5032.802       176.4585 5819.155       342.0646 203.7056 3.580448 218.3983 6.473760 -14.69270      7.397917 
1 1 1 -54 4  2  o 110.2512 3.092726 1489.443       70.58405 1502.518       81.22951 1449.137       142.6208 111.3526 3.015167 109.1498 5.400795 2.202782       6.185452 
1 1 1 -54 4  3  o 138.6198 3.101800 2400.419       90.74571 2476.588       106.0896 2192.742       175.1780 142.9610 3.067277 134.2785 5.392259 8.682510       6.203599 
1 1 1 -54 4  4  o 94.87924 3.131664 1116.536       60.44961 1137.615       69.21679 1048.781       124.0970 96.89977 2.952476 92.85870 5.523781 4.041069       6.263327 
1 1 1 -54 4  5  o 169.7627 3.303835 3488.842       116.2991 3478.368       133.5477 3521.713       236.5914 169.4085 3.258359 170.1169 5.748427 -0.7083893     6.607671 
1 1 1 -54 4  6  o 53.50725 4.799681 390.3569       53.05538 454.5782       65.28402 265.4373       91.05054 61.19038 4.409826 45.82411 8.526500 15.36627       9.599362 
1 1 1 -54 4  7  o 129.1902 3.042778 2027.616       81.69810 2028.853       94.00000 2023.796       165.1848 129.3911 3.002764 128.9894 5.293146 0.4017181      6.085556 
1 1 1 -54 4  8  o 141.8400 3.080602 2502.908       92.18050 2568.695       107.5840 2321.237       178.7794 145.5760 3.054609 138.1039 5.350683 7.472092       6.161205 
1 1 1 -54 4  9  o 147.1392 3.096713 2596.391       94.02210 2565.434       107.4929 2697.204       193.9809 145.4674 3.054302 148.8109 5.387928 -3.343521      6.193427 
1 1 1 -54 4  10 o 134.0126 3.062147 2239.725       86.43583 2301.365       100.8400 2069.007       167.8191 137.7548 3.025687 130.2704 5.324677 7.484344       6.124294 
1 1 1 -54 4  11 o 70.21584 3.548255 610.1844       50.54530 617.8117       57.72804 585.1279       104.6313 71.33202 3.345030 69.09966 6.258692 2.232361       7.096509 
1 1 1 -54 4  12 o 44.82622 4.930646 252.4371       43.94788 253.0615       50.36974 250.4462       89.94572 45.54525 4.571138 44.10719 8.737836 1.438061       9.861292 
1 1 1 -54 4  13 o 53.27470 5.200835 423.2858       48.68103 473.7470       55.53238 255.8001       101.1711 62.37277 3.680009 44.17663 9.728939 18.19614       10.40167 
1 1 1 -54 4  14 o 43.23731 5.601298 232.2132       50.26986 225.3202       58.19815 252.4688       99.76456 42.76033 5.625561 43.71428 9.687684 -0.9539490     11.20260 
1 1 1 -54 4  15 o 76.79765 2.955106 722.2502       54.90308 721.8334       78.06318 722.6582       77.23286 76.77040 4.202910 76.82491 4.155255 -0.5451202E-01 5.910212 
1 1 1 -54 4  16 o 51.16245 3.916641 328.9350       47.70018 266.4288       68.13004 389.0352       66.80594 46.19704 6.095681 56.12785 4.919652 -9.930805      7.833282 
1 1 1 -54 4  17 o 49.10474 4.064085 301.9421       48.25318 288.0566       67.70827 316.2728       68.78506 47.93090 5.838802 50.27857 5.654691 -2.347668      8.128170 
1 1 1 -54 4  18 o 33.25172 5.502605 147.8104       47.73209 232.3094       68.19996 66.67766       66.82768 42.59118 6.618539 23.91227 8.792586 18.67891       11.00521 
1 1 1 -54 4  19 o 33.43304 6.295909 159.5394       51.85565 167.2349       70.63640 150.5443       76.36851 34.47402 8.518382 32.39206 9.273137 2.081959       12.59182 
1 1 1 -54 6  1  o 77.84514 3.731055 818.7599       55.96767 885.0229       63.99891 603.3314       115.3954 85.44015 3.096052 70.25014 6.789518 15.19001       7.462111 
1 1 1 -54 6  2  o 148.0201 3.207136 2757.117       99.47840 2860.950       116.0785 2469.958       193.0388 153.6262 3.123086 142.4138 5.602607 11.21239       6.414271 
1 1 1 -54 6  3  o 97.30066 3.292622 1217.210       64.66041 1278.821       74.46831 1028.435       130.3508 102.7226 2.996422 91.87868 5.864035 10.84395       6.585245 
1 1 1 -54 6  4  o 89.63882 3.249479 924.9675       58.47333 887.3185       65.64970 1069.482       128.6210 85.55770 3.171548 93.71994 5.672542 -8.162239      6.498958 
1 1 1 -54 6  5  o 62.40456 3.680850 434.0798       47.37174 401.9308       53.46119 551.5765       102.2040 57.55518 3.839298 67.25394 6.281274 -9.698761      7.361699 
1 1 1 -54 6  6  o 119.4495 3.105509 1711.274       74.95107 1693.785       84.94530 1772.754       159.2661 118.2198 2.969934 120.6791 5.454927 -2.459343      6.211018 
1 1 1 -54 6  7  o 21.86527 5.475563 49.79170       40.83786 85.35554       44.93236 -119.0958      97.91600 25.98271 6.993369 17.74784 8.427333 8.234867       10.95113 
1 1 1 -54 6  8  o 59.24986 4.197032 474.4230       47.03778 508.7635       53.33984 354.3129       99.75588 64.76105 3.404360 53.73866 7.672721 11.02240       8.394064 
1 1 1 -54 6  9  o 131.3600 3.095782 2100.730       82.95580 2102.767       94.66299 2093.992       172.2091 131.6836 2.971299 131.0365 5.432021 0.6470490      6.191564 
1 1 1 -54 6  10 o 110.8758 3.301630 1537.399       82.10297 1611.720       100.3889 1387.270       142.6803 115.1869 3.602304 106.5647 5.534118 8.622253       6.603261 
1 1 1 -54 6  11 o 52.73460 5.068163 392.6984       47.79876 425.2739       54.13437 277.4539       101.8211 59.13008 3.784098 46.33912 9.403494 12.79096       10.13633 
1 1 1 -54 6  12 o 36.66775 5.948065 157.7787       44.01453 145.7362       49.38562 204.2832       97.04904 33.89536 6.252595 39.44014 10.12042 -5.544773      11.89613 
1 1 1 -54 6  13 o 117.0598 3.126290 1611.781       74.59193 1560.033       84.45325 1795.360       159.0671 113.2677 3.081826 120.8519 5.440321 -7.584236      6.252579 
1 1 1 -54 6  14 o 29.00792 4.836203 137.7862       43.41022 202.1726       48.69264 -111.6002      95.83024 40.56038 4.962026 17.45546 8.302635 23.10493       9.672406 
1 1 1 -54 6  15 o 100.8832 3.506706 1280.518       69.47545 1300.301       78.47514 1208.804       149.4140 103.2856 3.140436 98.48075 6.271013 4.804848       7.013412 
1 1 1 -54 6  16 o 52.98781 5.270598 367.2615       51.56184 371.3637       57.77945 351.2195       114.2609 54.91855 4.348626 51.05708 9.602409 3.861473       10.54120 
1 1 1 -54 6  17 o 21.03646 5.895195 37.43767       44.60514 35.14058       62.02832 39.89762       64.18958 20.71754 8.247805 21.35538 8.425378 -0.6378422     11.79039 
1 1 1 -54 6  18 o 21.01792 5.678361 16.61226       47.19139 -61.11146      65.91277 98.35754       67.59650 14.94705 7.042212 27.08878 8.909680 -12.14173      11.35672 
1 1 1 -54 6  19 o 43.18848 5.263340 252.3265       53.64828 258.8829       73.91066 245.0255       77.99417 44.30801 6.894814 42.06896 7.954403 2.239048       10.52668 
1 1 1 -54 8  1  o 131.7733 3.197140 2171.841       86.47092 2227.970       99.59682 2000.000       174.2671 135.5357 3.037312 128.0109 5.626861 7.524826       6.394280 
1 1 1 -54 8  2  o 61.95510 3.841488 391.4929       48.40585 337.2647       53.83629 620.3450       110.5962 52.67973 4.224052 71.23048 6.417593 -18.55075      7.682976 
1 1 1 -54 8  3  o 230.2984 3.942147 6476.525       188.4607 6487.509       216.8311 6442.594       381.0885 231.1518 3.877234 229.4450 6.865069 1.706757       7.884295 
1 1 1 -54 8  4  f 136.2744 3.200217 2314.913       89.85637 2370.083       103.6121 2147.531       180.4730 139.8149 3.063054 132.7338 5.619898 7.081116       6.400434 
1 1 1 -54 8  5  o 98.34515 3.338935 1187.464       64.33687 1195.482       72.38106 1157.287       140.4207 99.30126 3.012783 97.38905 5.959621 1.912209       6.677870 
1 1 1 -54 8  6  o 51.62092 5.172850 371.9872       47.25372 398.8235       53.13174 270.4343       103.3567 57.31192 3.831835 45.92992 9.609919 11.38201       10.34570 
1 1 1 -54 8  7  o 55.51183 5.812256 484.9129       53.18333 545.7059       59.69361 250.9221       117.1119 67.04153 3.680287 43.98213 11.02655 23.05939       11.62451 
1 1 1 -54 8  8  o 25.10890 5.734329 81.64247       43.04849 113.3654       47.83120 -53.61095      98.76398 29.82749 6.781610 20.39030 9.248776 9.437183       11.46866 
1 1 1 -54 8  9  o 85.84462 3.366665 841.2820       57.67064 800.9627       64.51364 1001.666       128.6695 81.22242 3.283018 90.46681 5.878735 -9.244392      6.733330 
1 1 1 -54 8  10 o 29.40350 6.530278 86.91865       42.05170 73.46287       46.27261 150.7436       100.7778 24.26155 7.292883 34.54545 10.83476 -10.28390      13.06056 
1 1 1 -54 8  11 o 68.79332 3.776730 533.0565       51.69754 500.8478       57.64458 665.4373       116.8650 64.14282 3.714566 73.44381 6.576986 -9.300987      7.553459 
1 1 1 -54 8  12 o 64.11931 4.368572 482.5234       53.26414 467.7893       58.85603 549.1969       125.2001 61.93046 3.928117 66.30815 7.804330 -4.377693      8.737144 
1 1 1 -54 8  13 o 25.49398 6.695356 61.88220       46.18387 56.84315       51.47345 82.68888       104.5949 22.31253 7.771591 28.67544 10.90475 -6.362909      13.39071 
1 1 1 -54 8  14 o 79.16713 3.885321 724.2319       57.63770 696.5460       63.30990 858.2986       139.3168 75.55164 3.463582 82.78263 6.956038 -7.230995      7.770641 
1 1 1 -54 8  15 o 23.12671 6.550356 -58.57618      47.05409 -98.68794      51.14035 162.7603       120.1308 11.23949 5.512505 35.01392 11.88448 -23.77443      13.10071 
1 1 1 -54 8  16 o 34.19521 7.113223 142.8158       50.93291 133.9081       55.70539 188.2213       125.7671 31.77056 7.387078 36.61987 12.15824 -4.849308      14.22645 
1 1 1 -54 8  17 o 38.24485 6.340947 251.4737       56.13869 296.9974       62.68425 67.00774       126.1820 48.64915 5.325751 27.84054 11.50942 20.80860       12.68189 
1 1 1 -54 8  18 o 16.76900 5.636262 -49.54463      51.63824 -22.47114      56.47811 -187.5074      127.4938 15.46231 7.005649 18.07569 8.831234 -2.613384      11.27252 
1 1 1 -54 8  19 o 23.33548 8.917979 66.50656       70.17151 66.50656       70.17151 0.000000       0.000000 23.33548 8.917979 ?        ?        ?              ?        
1 1 1 -54 10 1  o 85.48065 3.654489 868.6227       60.51897 853.0219       67.42861 933.2540       137.2435 83.80353 3.325674 87.15778 6.508536 -3.354256      7.308977 
1 1 1 -54 10 2  o 69.73935 4.056891 559.4979       53.23984 539.8647       58.55977 653.0637       127.8389 66.65475 3.631332 72.82395 7.255817 -6.169197      8.113782 
1 1 1 -54 10 3  o 105.8901 3.491309 1365.711       70.93625 1364.806       79.10854 1369.423       160.2541 106.0546 3.083128 105.7255 6.265083 0.3290405      6.982617 
1 1 1 -54 10 4  o 19.00336 6.021914 -65.17854      40.95940 -85.60497      44.30462 54.96728       107.4502 10.56429 5.170783 27.44243 10.87735 -16.87813      12.04383 
1 1 1 -54 10 5  o 67.67868 4.303071 565.2396       53.09666 567.6964       58.43180 553.5991       127.1894 68.36799 3.532598 66.98938 7.847703 1.378609       8.606142 
1 1 1 -54 10 6  o 53.47142 4.866331 309.9635       48.57867 289.0026       52.99072 420.3450       121.6029 48.71420 4.496161 58.22863 8.631873 -9.514431      9.732661 
1 1 1 -54 10 7  o 17.07001 5.581654 -31.44309      42.98630 -21.39477      47.51103 -76.78763      100.9277 14.52285 6.516054 19.61718 9.064241 -5.094326      11.16331 
1 1 1 -54 10 8  o 34.27853 5.920639 187.2214       45.96352 219.9618       50.58749 32.29030       110.0450 42.44214 4.926558 26.11492 10.76777 16.32722       11.84128 
1 1 1 -54 10 9  o 65.34136 5.757362 707.3590       55.91897 793.3202       61.93155 328.0190       130.0993 80.80630 3.167848 49.87642 11.07039 30.92989       11.51472 
1 1 1 -54 10 10 o 126.6523 3.248935 1870.292       81.33662 1807.735       90.95000 2120.167       181.7711 121.9623 3.082300 131.3423 5.720292 -9.379982      6.497869 
1 1 1 -54 10 11 o 53.34361 5.907667 438.6446       52.09587 481.4964       57.94090 257.8227       119.0218 62.83689 3.811256 43.85034 11.18376 18.98655       11.81533 
1 1 1 -54 10 12 o 63.17280 4.853611 528.2161       55.89241 546.9188       62.10704 448.5425       128.1875 66.92892 3.835524 59.41667 8.917338 7.512253       9.707223 
1 1 1 -54 10 13 o 85.65044 3.875025 901.4581       63.01844 898.1429       70.05098 915.5265       144.3067 85.81033 3.374212 85.49054 6.976959 0.3197861      7.750049 
1 1 1 -54 10 14 o 54.40973 6.281848 416.1154       54.88132 428.6410       59.61188 346.4604       140.5760 59.08599 4.170095 49.73346 11.85145 9.352531       12.56370 
1 1 1 -54 10 15 o 41.27497 7.023519 214.7886       53.45995 208.2602       57.77523 253.6585       140.9759 40.77556 5.856517 41.77437 12.76795 -0.9988098     14.04704 
1 1 1 -54 10 16 o 18.43542 6.195408 -44.33516      53.58599 -31.30336      57.76816 -124.6877      143.4453 15.30108 6.991516 21.56975 10.22991 -6.268670      12.39082 
1 1 1 -54 10 17 o 33.54713 6.434741 187.1742       57.04784 223.5605       62.43948 3.362284       140.3386 41.77823 6.177417 25.31604 11.28996 16.46219       12.86948 
1 1 1 -54 10 18 o 22.83971 6.934957 35.67341       54.28466 35.44046       59.19016 36.90660       136.1869 19.92567 8.014116 25.75376 11.32027 -5.828091      13.86991 
1 1 1 -54 10 19 o 19.12269 6.418423 -79.03848      54.30708 -109.3638      59.35114 76.96609       134.6155 11.84447 5.834650 26.40092 11.43422 -14.55646      12.83685 
1 1 1 -54 12 1  o 33.64268 6.968374 147.1109       49.31426 153.1134       53.16320 110.1011       132.0077 34.67322 6.578114 32.61215 12.28663 2.061073       13.93675 
1 1 1 -54 12 2  o 98.22794 3.823924 1256.057       70.21216 1303.561       78.52884 1066.746       156.7657 103.5758 3.133781 92.88010 6.976315 10.69567       7.647847 
1 1 1 -54 12 3  o 98.02818 3.610904 1174.690       67.83459 1174.032       75.63711 1177.394       153.3507 98.29746 3.180463 97.75889 6.483762 0.5385742      7.221808 
1 1 1 -54 12 4  o 183.2288 3.607006 4089.588       133.0019 4075.753       150.8089 4138.013       282.1469 183.0984 3.404396 183.3592 6.360193 -0.2607117     7.214012 
1 1 1 -54 12 5  o 73.19683 4.394571 682.1175       56.94958 693.7514       62.44664 624.6282       138.8159 75.53822 3.416961 70.85544 8.097740 4.682785       8.789142 
1 1 1 -54 12 6  o 85.92648 3.631347 806.5123       58.02526 757.6920       63.29434 1063.653       145.2611 78.94854 3.313740 92.90442 6.462651 -13.95588      7.262694 
1 1 1 -54 12 7  o 24.44543 6.714937 50.72608       46.63760 51.02820       51.35318 49.30399       111.4149 21.72098 7.745278 27.16988 10.97143 -5.448900      13.42987 
1 1 1 -54 12 8  o 40.87345 6.286475 179.5779       47.56476 162.1212       51.71988 275.3123       121.1184 36.29151 5.890472 45.45539 11.10772 -9.163883      12.57295 
1 1 1 -54 12 9  o 49.86069 6.140569 273.1460       50.69508 256.3028       54.25356 389.0541       142.3224 45.72719 4.904011 53.99419 11.25953 -8.266994      12.28114 
1 1 1 -54 12 10 o 29.33247 7.095089 101.3803       49.09845 105.5561       52.89833 75.40749       131.9263 28.53887 7.546075 30.12606 12.01740 -1.587196      14.19018 
1 1 1 -54 12 11 o 76.65047 4.547802 687.7681       60.36591 669.9495       65.19892 794.7650       159.7677 74.08801 3.637393 79.21294 8.336630 -5.124939      9.095605 
1 1 1 -54 12 12 o 58.49323 5.332742 354.1719       54.27957 324.5023       58.10023 557.7632       152.1952 51.36317 4.675453 65.62329 9.586068 -14.26012      10.66548 
1 1 1 -54 12 13 f 90.53183 4.155530 976.8726       66.02364 956.8737       71.61906 1090.065       170.3865 88.49793 3.344977 92.56573 7.608211 -4.067802      8.311061 
1 1 1 -54 12 14 o 36.61393 7.374150 179.5956       54.56411 180.4666       58.70268 174.0631       147.9411 37.23714 6.765161 35.99072 13.10515 1.246414       14.74830 
1 1 1 -54 12 15 o 47.97872 7.004073 325.5829       55.87861 329.2122       60.12143 302.5580       151.4323 51.42191 4.832576 44.53553 13.14817 6.886375       14.00815 
1 1 1 -54 12 16 o 36.18539 7.212398 199.9002       58.08116 212.7867       62.45921 117.5253       157.9157 40.71968 6.340008 31.65111 12.95681 9.068571       14.42480 
1 1 1 -54 12 17 o 28.10358 7.607002 93.53072       57.94528 87.26960       63.07071 127.4242       146.7437 25.36398 8.611257 30.84318 12.54241 -5.479200      15.21400 
1 1 1 -54 12 18 o 33.58724 7.340013 175.8218       57.68840 176.7567       63.12920 171.0886       142.0439 35.28510 7.618057 31.88938 12.54864 3.395716       14.68003 
1 1 1 -54 12 19 o 21.36788 8.958836 48.61211       78.02020 48.61211       78.02020 0.000000       0.000000 21.36788 8.958836 ?        ?        ?              ?        
1 1 1 -54 14 1  o 81.73387 4.265123 847.3502       63.61632 859.0919       70.24686 793.8132       149.9998 83.95860 3.458274 79.50913 7.797784 4.449471       8.530246 
1 1 1 -54 14 2  o 36.58938 6.508792 219.2967       52.01067 249.4293       55.85698 22.83165       142.6271 45.05671 5.124078 28.12205 11.96668 16.93465       13.01758 
1 1 1 -54 14 3  o 34.84500 7.293954 135.1297       48.92039 127.3811       52.28140 189.6490       138.6781 31.40976 7.052563 38.28024 12.76983 -6.870485      14.58791 
1 1 1 -54 14 4  o 65.94466 5.294209 564.4830       57.50243 573.2321       62.13737 512.3141       151.7326 68.56356 3.745909 63.32574 9.903673 5.237816       10.58842 
1 1 1 -54 14 5  o 37.41206 6.181870 241.9707       47.33752 274.4214       50.82983 29.86318       129.9525 47.36192 4.435955 27.46220 11.54055 19.89972       12.36374 
1 1 1 -54 14 6  o 27.68500 7.425021 73.44924       57.44485 72.08886       63.76431 79.30994       132.3492 24.93458 8.651799 30.43542 12.06939 -5.500839      14.85004 
1 1 1 -54 14 7  o 59.41911 3.573932 432.9018       50.97323 440.7186       77.36464 426.9054       67.76041 59.83817 5.343945 59.00005 4.747023 0.8381119      7.147864 
1 1 1 -54 14 8  o 153.7552 2.865587 2888.071       106.5326 2832.059       147.6076 2948.967       153.9098 152.2181 4.008115 155.2924 4.096506 -3.074356      5.731174 
1 1 1 -54 14 9  o 110.5259 3.970977 1454.084       89.33464 1408.141       101.1572 1616.895       190.4248 107.3245 3.895788 113.7273 6.920800 -6.402802      7.941955 
1 1 1 -54 14 10 o 23.44173 6.659034 50.21209       48.73038 69.81074       51.46988 -119.3337      151.3853 23.78771 7.772190 23.09575 10.81499 0.6919651      13.31807 
1 1 1 -54 14 11 o 29.89819 7.938290 60.42506       49.99865 45.93504       52.49870 201.7847       163.9746 21.01817 7.781546 38.77822 13.83883 -17.76005      15.87658 
1 1 1 -54 14 12 o 54.62144 7.048923 474.2383       59.13591 501.8643       63.71953 302.6770       158.7897 63.88250 4.122763 45.36038 13.48155 18.52212       14.09785 
1 1 1 -54 14 13 o 31.91417 7.236260 142.3461       54.82298 153.5046       58.89642 69.94646       150.0215 34.01490 7.369751 29.81344 12.45555 4.201458       14.47252 
1 1 1 -54 14 14 f 24.65483 7.066990 55.10563       53.27583 58.35082       58.06888 37.84652       133.9161 22.49816 8.207700 26.81151 11.50665 -4.313345      14.13398 
1 1 1 -54 14 15 o 29.11733 7.113851 117.7562       52.29663 128.0272       55.70114 41.35634       151.9160 30.62196 7.563110 27.61271 12.05101 3.009253       14.22770 
1 1 1 -54 14 16 o 26.95414 7.749640 60.44955       56.59821 45.16975       60.63225 163.9500       157.8033 20.94994 8.212796 32.95833 13.14449 -12.00839      15.49928 
1 1 1 -54 14 17 o 27.23011 7.288906 107.1787       60.48138 116.7330       66.68062 62.84355       143.6393 28.07554 8.814515 26.38468 11.61107 1.690861       14.57781 
1 1 1 -54 14 18 o 19.56602 6.434420 -0.6779536     59.95409 15.24359       64.76140 -96.13326      158.5710 18.13235 7.891931 20.99969 10.16486 -2.867334      12.86884 
1 1 1 -54 16 1  o 66.44473 3.369973 549.0590       53.51780 457.9348       76.34454 637.1035       75.04344 60.86162 5.184802 72.02782 4.306358 -11.16620      6.739947 
1 1 1 -54 16 2  o 43.26649 4.923726 234.6398       49.85641 288.9075       75.16642 192.0111       66.61991 48.09409 6.459960 38.43890 7.432444 9.655190       9.847452 
1 1 1 -54 16 3  o 99.06905 2.911574 1201.213       69.72868 1271.593       100.2729 1135.312       97.02952 101.8911 4.067665 96.24700 4.166913 5.644096       5.823149 
1 1 1 -54 16 4  o 61.58048 3.571745 466.7968       53.16370 495.8010       76.70480 439.9829       73.75177 63.43071 4.998281 59.73025 5.103590 3.700466       7.143490 
1 1 1 -54 16 5  o 50.06063 4.172537 309.9208       50.38845 345.0067       73.54670 278.8828       69.17419 52.75042 5.762818 47.37084 6.035742 5.379585       8.345074 
1 1 1 -54 16 6  o 58.55769 3.850475 431.7844       53.40668 342.1195       77.05490 514.6803       74.08928 52.44244 6.073164 64.67294 4.735115 -12.23050      7.700950 
1 1 1 -54 16 7  o 80.20961 3.197978 791.2151       62.00561 750.7434       87.36825 832.2870       88.01367 78.11341 4.623020 82.30582 4.419950 -4.192406      6.395957 
1 1 1 -54 16 8  o 25.67272 6.090881 81.17892       44.97471 66.67332       64.87327 94.60220       62.40615 24.21614 8.697862 27.12931 8.528922 -2.913168      12.18176 
1 1 1 -54 16 9  o 58.05288 3.857368 421.1353       53.70265 359.3877       76.06166 482.5121       75.83289 53.66736 5.858052 62.43840 5.019999 -8.771042      7.714736 
1 1 1 -54 16 10 o 27.14466 5.697598 92.57381       46.48344 12.28384       69.67516 156.9720       62.39992 19.88776 8.408761 34.40156 7.690462 -14.51380      11.39520 
1 1 1 -54 16 11 o 43.91898 4.882639 244.2052       51.69194 265.9225       77.22619 226.5768       69.57751 45.64765 6.992683 42.19032 6.816380 3.457333       9.765278 
1 1 1 -54 16 12 o 22.56598 6.064450 44.43066       48.92983 -3.675848      70.02050 90.33938       68.40233 18.67988 8.166202 26.45207 8.967908 -7.772190      12.12890 
1 1 1 -54 16 13 o 89.49957 3.190129 997.7269       69.05554 998.1998       98.88368 997.2768       96.47927 89.48820 4.567269 89.51094 4.455081 -0.2274323E-01 6.380258 
1 1 1 -54 16 14 f 62.58571 4.135847 503.1008       62.37830 547.2894       87.75287 457.9664       88.68702 65.55465 5.532934 59.61677 6.148785 5.937881       8.271693 
1 1 1 -54 16 15 o 76.68248 3.508308 747.5445       65.03558 707.6376       90.82140 789.5439       93.17204 74.52559 5.037098 78.83938 4.884725 -4.313789      7.016616 
1 1 1 -54 16 16 o 26.09133 7.120398 97.43164       56.74559 110.1911       60.38506 1.051517       165.9617 27.33443 8.356583 24.84823 11.53117 2.486198       14.24080 
1 1 1 -54 18 1  o 55.50597 4.284806 394.7646       56.16804 305.7308       80.58654 478.8795       78.32878 49.02837 6.793799 61.98357 5.223270 -12.95520      8.569613 
1 1 1 -54 18 2  o 40.45010 5.284575 213.2362       50.35405 207.2070       74.54916 218.2948       68.28520 39.42863 8.086355 41.47156 6.805718 -2.042923      10.56915 
1 1 1 -54 18 3  o 138.9697 2.942291 2375.098       98.85536 2303.227       136.6889 2453.912       143.1393 136.7860 4.130371 141.1533 4.191461 -4.367249      5.884583 
1 1 1 -54 18 4  o 53.83810 4.171168 354.9282       53.13774 476.2230       81.37777 264.7689       70.16008 61.81760 5.441158 45.85861 6.323636 15.95900       8.342336 
1 1 1 -54 18 5  o 89.63693 4.482080 991.9651       97.20059 991.9651       97.20059 0.000000       0.000000 89.63693 4.482080 ?        ?        ?              ?        
1 1 1 -54 18 6  o 57.47077 4.274263 415.9883       59.24064 444.7868       82.83713 385.8418       84.75358 59.61546 5.743331 55.32608 6.331780 4.289379       8.548526 
1 1 1 -54 18 7  o 37.97155 5.847447 193.6328       52.07463 191.5196       76.67780 195.4417       70.94514 37.63824 8.607590 38.30486 7.917068 -0.6666145     11.69489 
1 1 1 -54 18 8  o 64.90192 3.822132 532.5480       59.23999 450.5711       85.49778 608.2455       82.15798 59.83863 5.905693 69.96520 4.853615 -10.12657      7.644265 
1 1 1 -54 18 9  o 56.81680 4.137417 411.9668       56.07121 364.1159       83.09003 451.9783       75.97952 53.51559 6.417507 60.11802 5.223836 -6.602428      8.274834 
1 1 1 -54 18 10 o 29.76084 6.326687 118.7147       50.21921 156.6646       73.74699 85.90016       68.57599 33.60798 8.921111 25.91369 8.973387 7.694284       12.65337 
1 1 1 -54 18 11 o 36.57254 6.242167 187.0754       55.38018 142.3948       77.40850 233.9228       79.26324 31.77596 9.405765 41.36912 8.209153 -9.593153      12.48433 
1 1 1 -54 18 12 o 53.47353 4.512740 369.4364       58.25694 403.7776       84.14847 337.8263       80.73312 55.94508 6.217016 51.00198 6.542781 4.943104       9.025479 
1 1 1 -54 18 13 o 61.65556 4.151779 487.3383       61.03883 385.7180       82.62717 609.4113       90.56126 54.34909 6.283885 68.96202 5.427879 -14.61293      8.303558 
1 1 1 -54 18 14 o 25.12704 6.574625 86.17699       54.06863 107.7923       72.98418 59.88347       80.49568 27.11010 9.263039 23.14398 9.332678 3.966116       13.14925 
1 1 1 -54 18 15 o 21.31484 6.470329 37.04532       59.59010 37.09689       79.42906 36.97892       90.12739 20.96040 8.924973 21.66928 9.370460 -0.7088814     12.94066 
1 1 1 -54 20 4  o 30.33907 7.344309 104.5651       86.52087 227.1267       103.0077 -189.0541      159.4354 39.57778 10.56136 21.10035 10.20849 18.47743       14.68862 
1 1 1 -54 20 5  o 46.34962 7.931184 257.5222       83.51287 164.9018       97.65248 509.6966       161.1315 33.89051 10.67131 58.80872 11.73618 -24.91821      15.86237 
1 1 1 -54 20 6  o 38.24439 5.886321 205.7072       56.62123 95.17190       80.64271 313.1812       79.51816 27.17576 9.704247 49.31301 6.665035 -22.13725      11.77264 
1 1 1 -54 20 7  o 70.98576 3.629795 633.8608       62.33697 638.9221       88.50435 628.8781       87.81526 71.26711 5.133022 70.70442 5.133589 0.5626831      7.259591 
1 1 1 -54 20 8  o 29.34321 6.041243 108.1324       53.24337 204.9369       76.46485 17.02179       74.18201 38.41039 8.457194 20.27602 8.629154 18.13437       12.08249 
1 1 1 -54 20 9  o 42.40014 5.701030 244.9429       57.23681 271.8623       82.16602 219.5661       79.77699 45.24141 7.506783 39.55888 8.582259 5.682526       11.40206 
1 1 1 -54 20 10 o 51.26915 4.866632 348.3241       59.94989 308.0583       85.35596 387.5246       84.21937 48.03501 7.344693 54.50329 6.386854 -6.468281      9.733263 
1 1 1 -54 20 11 o 63.81803 4.321453 536.0591       65.95452 562.7557       88.56621 502.8219       98.82180 66.03823 5.543325 61.59784 6.631091 4.440395       8.642906 
1 1 1 -54 20 12 o 61.07902 4.515456 491.3293       65.69363 387.1408       88.41236 619.7582       98.15997 53.52741 6.827071 68.63063 5.911724 -15.10322      9.030912 
1 1 1 -54 20 13 o 30.11407 6.959826 146.4473       58.11258 142.3294       77.80891 151.6418       87.39021 29.85865 9.539012 30.36949 10.13726 -0.5108414     13.91965 
1 1 1 -54 22 11 f 26.11990 8.117843 95.12395       91.07614 99.19096       103.1495 80.73766       194.0012 25.56042 10.46858 26.67937 12.40993 -1.118954      16.23569 
1 1 1 -53 1  1  o 160.0000 3.174103 3153.251       107.9044 3205.965       126.0793 3008.924       208.6193 162.6627 3.203711 157.3372 5.480507 5.325485       6.348206 
1 1 1 -53 1  2  o 37.06680 4.978179 115.0234       41.70690 42.10757       47.74068 350.0298       85.70723 20.51402 7.448432 53.61957 6.606810 -33.10555      9.956359 
1 1 1 -53 1  3  o 108.4207 3.032661 1429.405       68.81514 1433.146       79.48196 1418.203       137.5209 108.7753 3.020201 108.0660 5.259898 0.7093353      6.065322 
1 1 1 -53 1  4  o 312.4018 4.852796 11901.35       318.0234 11920.23       367.7401 11845.33       633.3765 313.4008 4.849964 311.4028 8.406922 1.997955       9.705591 
1 1 1 -53 1  5  o 164.2798 3.206816 3342.630       112.3213 3423.352       131.7528 3127.900       214.8859 168.1013 3.239562 160.4582 5.535333 7.643143       6.413631 
1 1 1 -53 1  6  o 105.6370 3.047021 1354.575       66.56371 1355.528       76.40469 1351.576       135.5872 105.7881 2.985252 105.4859 5.312780 0.3021774      6.094043 
1 1 1 -53 1  7  o 164.8768 3.208770 3153.227       107.8356 3036.475       121.9169 3572.873       231.1393 158.3091 3.183140 171.4445 5.572470 -13.13547      6.417539 
1 1 1 -53 1  8  o 99.30392 2.943813 1119.532       59.60254 1059.460       67.16742 1342.058       129.2749 93.51360 2.968804 105.0943 5.084322 -11.58067      5.887626 
1 1 1 -53 1  9  o 60.69297 3.019476 446.4637       43.91115 535.0955       63.88796 367.1045       60.45373 66.40742 3.976492 54.97852 4.544936 11.42889       6.038951 
1 1 1 -53 1  10 o 83.43846 2.580875 842.6690       52.02468 907.6210       75.51308 783.9851       71.77704 86.49448 3.608540 80.38243 3.690813 6.112053       5.161750 
1 1 1 -53 1  11 f 57.62889 3.001498 403.8273       41.82917 392.0801       59.39225 415.3889       58.92132 56.79192 4.322559 58.46587 4.165506 -1.673943      6.002996 
1 1 1 -53 1  12 o 30.66523 5.020509 119.9055       36.73137 96.86650       51.12134 144.4935       52.81191 27.58894 7.473688 33.74152 6.705673 -6.152582      10.04102 
1 1 1 -53 1  13 o 23.09893 5.470050 61.62153       36.43868 46.25095       51.31900 77.25007       51.74783 21.21287 7.719419 24.98499 7.752184 -3.772112      10.94010 
1 1 1 -53 1  14 f 39.05147 4.309241 194.3276       38.42941 252.0198       54.62125 137.7782       54.07759 45.35947 4.977273 32.74348 7.035977 12.61599       8.618482 
1 1 1 -53 1  15 o 26.78735 5.512631 91.06615       38.81092 64.50647       54.72449 117.9435       55.05082 23.45171 8.020988 30.12298 7.564402 -6.671278      11.02526 
1 1 1 -53 1  16 o 39.30715 4.816440 200.4437       43.70109 251.6792       61.32164 147.5685       62.29522 45.08012 5.622460 33.53419 7.821785 11.54593       9.632880 
1 1 1 -53 1  17 o 42.96077 4.554129 236.2057       45.52792 281.9826       64.79924 191.5777       63.98094 47.57878 5.629300 38.34277 7.160401 9.236008       9.108258 
1 1 1 -53 1  18 o 18.88810 5.606126 9.672387       44.45845 -18.84841      63.99128 36.28434       61.81279 16.98798 7.596325 20.78823 8.246845 -3.800253      11.21225 
1 1 1 -53 1  19 f 31.24801 5.964171 134.2158       48.03865 184.4013       68.73071 86.28362       67.16999 36.74648 7.961071 25.74954 8.882944 10.99693       11.92834 
1 1 1 -53 1  20 o 22.63575 9.769337 26.97204       97.58017 26.97204       97.58017 0.000000       0.000000 22.63575 9.769337 ?        ?        ?              ?        
1 1 1 -53 3  1  o 74.30046 3.330467 645.4896       51.80072 622.2558       59.30287 720.2856       106.4032 71.65007 3.421029 76.95086 5.715297 -5.300789      6.660935 
1 1 1 -53 3  2  o 197.5884 3.507947 4855.585       148.8869 4999.322       175.6670 4488.995       280.5411 203.0882 3.575223 192.0886 6.036601 10.99960       7.015894 
1 1 1 -53 3  3  o 286.1423 4.502533 10103.91       274.3375 10264.50       320.9208 9668.055       528.7072 290.8435 4.560750 281.4410 7.764714 9.402435       9.005066 
1 1 1 -53 3  4  o 80.37978 3.332040 797.5787       54.76540 809.7535       62.78299 758.8340       112.0000 81.75600 3.174096 79.00356 5.859614 2.752449       6.664080 
1 1 1 -53 3  5  f 48.84644 4.156276 250.0755       43.09650 213.2364       48.86983 378.9411       91.40186 41.91294 4.819371 55.77993 6.772902 -13.86699      8.312552 
1 1 1 -53 3  6  o 132.7636 3.022563 2093.821       83.21179 2053.428       95.17616 2224.866       171.4295 130.1960 3.021539 135.3313 5.235823 -5.135330      6.045125 
1 1 1 -53 3  7  o 186.5232 3.398914 4367.784       136.5930 4556.667       162.0795 3904.819       253.7491 193.8907 3.455164 179.1557 5.854254 14.73500       6.797827 
1 1 1 -53 3  8  o 24.85896 6.004897 55.88106       37.54430 42.12168       42.42981 105.5205       80.59076 19.92156 7.047008 29.79636 9.724959 -9.874805      12.00979 
1 1 1 -53 3  9  o 208.8320 3.636697 5215.224       156.2103 5137.161       178.2110 5474.123       324.5475 205.8054 3.579114 211.8586 6.331841 -6.053192      7.273394 
1 1 1 -53 3  10 o 125.4664 2.982439 1958.548       78.89291 2009.753       92.04393 1816.776       153.1566 128.7639 2.954601 122.1689 5.181707 6.595001       5.964877 
1 1 1 -53 3  11 o 110.2752 2.975244 1497.852       69.08627 1518.684       80.28817 1438.429       135.5999 111.9087 2.965415 108.6418 5.158937 3.266914       5.950489 
1 1 1 -53 3  12 o 157.7199 3.166139 3026.387       104.6611 3022.681       120.8864 3037.478       209.1447 157.7997 3.166424 157.6402 5.483749 0.1595001      6.332278 
1 1 1 -53 3  13 o 58.33472 3.141863 416.7905       43.48782 526.2762       62.98373 317.0399       60.11840 65.73628 3.960234 50.93315 4.878706 14.80313       6.283727 
1 1 1 -53 3  14 o 51.21597 3.468727 321.8187       42.88272 346.6713       60.65136 296.9759       60.63929 53.22120 4.710355 49.21074 5.093215 4.010460       6.937455 
1 1 1 -53 3  15 o 75.47330 2.922281 696.9778       53.28746 652.6855       75.09426 741.9023       75.62827 73.03323 4.249951 77.91336 4.012083 -4.880135      5.844561 
1 1 1 -53 3  16 o 39.84789 4.868046 205.8715       44.46962 136.0565       61.92789 280.1979       63.89743 32.13636 7.997080 47.55941 5.553217 -15.42305      9.736093 
1 1 1 -53 3  17 o 77.18797 2.941508 733.2123       54.85267 782.2444       77.92235 685.0489       77.22907 79.78453 4.036835 74.59142 4.279466 5.193108       5.883015 
1 1 1 -53 3  18 o 25.03397 6.112724 77.60076       45.81157 97.59159       63.15732 55.40420       66.55045 27.14280 8.585943 22.92515 8.703054 4.217649       12.22545 
1 1 1 -53 3  19 o 21.20900 5.891637 37.57409       46.51017 71.84100       63.35765 -2.472485      68.49269 24.03424 8.599554 18.38376 8.055633 5.650476       11.78327 
1 1 1 -53 3  20 o 27.88966 11.33412 97.19215       119.7352 97.19215       119.7352 0.000000       0.000000 27.88966 11.33412 ?        ?        ?              ?        
1 1 1 -53 5  1  o 18.00480 5.441019 3.261991       40.02546 28.60300       44.51074 -103.8073      91.49243 18.55131 7.099520 17.45830 8.247154 1.093010       10.88204 
1 1 1 -53 5  2  o 148.6240 3.197031 2712.136       98.79488 2741.929       113.9979 2622.249       198.0105 150.4224 3.132433 146.8256 5.574217 3.596802       6.394063 
1 1 1 -53 5  3  o 171.0861 3.322798 3593.068       118.6500 3632.271       137.1583 3476.502       236.5100 173.1247 3.274620 169.0475 5.782804 4.077179       6.645597 
1 1 1 -53 5  4  o 110.4509 3.034527 1433.927       68.68113 1395.061       77.99608 1568.114       144.9234 107.3087 3.004245 113.5931 5.273323 -6.284363      6.069054 
1 1 1 -53 5  5  o 172.4992 3.318260 3612.006       119.0707 3611.192       137.0314 3614.515       240.5783 172.6221 3.281114 172.3763 5.768682 0.2458496      6.636520 
1 1 1 -53 5  6  o 112.6924 3.062912 1564.489       71.23042 1586.457       81.96746 1496.728       143.9588 114.4311 2.960705 110.9537 5.362830 3.477371       6.125824 
1 1 1 -53 5  7  o 83.88217 3.229291 818.8117       54.69753 791.4483       61.64812 920.0475       118.5773 80.81135 3.153154 86.95300 5.636569 -6.141647      6.458583 
1 1 1 -53 5  8  o 56.44892 3.791299 346.0681       43.88469 314.0478       49.25465 469.3635       96.65136 50.86918 4.002120 62.02866 6.440406 -11.15948      7.582599 
1 1 1 -53 5  9  o 102.1762 3.303328 1321.633       75.17119 1418.822       92.08821 1127.543       130.1362 108.1479 3.519521 96.20448 5.591144 11.94344       6.606657 
1 1 1 -53 5  10 o 91.68231 3.117734 1028.862       58.84089 1035.201       67.50248 1008.804       120.0670 92.39735 3.019659 90.96729 5.455522 1.430061       6.235467 
1 1 1 -53 5  11 o 145.4085 3.120317 2550.806       93.98825 2529.842       107.7538 2617.490       192.1812 144.3975 3.084400 146.4195 5.425125 -2.021973      6.240633 
1 1 1 -53 5  12 o 56.02023 4.245281 389.8113       46.62813 393.4117       52.53306 376.4426       101.2284 56.86747 3.818269 55.17298 7.583566 1.694496       8.490562 
1 1 1 -53 5  13 o 92.89448 3.299976 1101.151       62.41066 1145.122       71.94193 967.4004       125.4708 97.07892 3.063055 88.71004 5.846116 8.368881       6.599953 
1 1 1 -53 5  14 o 75.64474 3.868924 770.1431       56.33081 822.9379       64.18755 593.2183       117.5031 82.23460 3.226219 69.05489 7.033194 13.17970       7.737849 
1 1 1 -53 5  15 o 38.45596 5.920486 223.0634       44.50461 245.1675       49.52902 130.3986       101.4100 44.69820 4.580020 32.21373 10.91934 12.48447       11.84097 
1 1 1 -53 5  16 o 44.13387 4.237450 243.0254       45.14896 248.2665       62.29464 237.2259       65.52859 44.68443 5.762251 43.58331 6.214530 1.101120       8.474899 
1 1 1 -53 5  17 o 39.37231 4.954678 200.5386       45.77909 237.0593       65.62848 165.9278       63.88936 43.39076 6.251622 35.35387 7.688469 8.036896       9.909356 
1 1 1 -53 5  18 o 34.60484 5.677307 162.5099       46.66341 175.4459       66.25069 149.7739       65.73637 36.07494 7.816548 33.13473 8.235826 2.940212       11.35461 
1 1 1 -53 5  19 o 27.69486 6.392940 105.8029       49.64034 120.6353       68.98121 89.87186       71.49006 29.30577 8.925823 26.08395 9.154694 3.221827       12.78588 
1 1 1 -53 7  1  o 166.8022 3.361117 3411.024       115.6289 3437.616       132.8201 3327.781       234.9951 168.3764 3.260470 165.2280 5.878586 3.148407       6.722234 
1 1 1 -53 7  2  o 135.8138 3.199398 2266.246       88.97803 2289.215       101.9368 2192.742       182.3528 137.4309 3.065804 134.1967 5.616532 3.234177       6.398795 
1 1 1 -53 7  3  o 153.1888 3.209527 2891.389       102.7687 2933.245       119.0009 2768.590       203.8318 155.5625 3.161861 150.8150 5.586313 4.747559       6.419054 
1 1 1 -53 7  4  o 25.04676 6.396482 51.37794       41.19762 39.80704       45.81042 100.3093       94.20511 20.00239 7.291158 30.09113 10.51185 -10.08875      12.79296 
1 1 1 -53 7  5  o 60.80150 4.143404 440.9538       49.77461 434.3126       55.86930 466.5081       109.5930 59.83086 3.859630 61.77214 7.333106 -1.941280      8.286808 
1 1 1 -53 7  6  f 118.7734 3.183079 1729.326       76.63665 1742.690       87.36342 1684.712       159.6283 119.9140 3.011323 117.6329 5.608914 2.281166       6.366159 
1 1 1 -53 7  7  o 22.72265 7.279312 61.72478       45.28711 61.72478       45.28711 0.000000       0.000000 22.72265 7.279312 ?        ?        ?              ?        
1 1 1 -53 7  8  o 118.9415 3.129371 1792.273       76.66658 1865.247       88.81014 1578.822       151.8893 124.0466 2.959207 113.8364 5.514976 10.21019       6.258743 
1 1 1 -53 7  9  o 56.89437 4.354402 442.1439       46.56115 476.6689       52.80361 321.4753       98.71727 62.67136 3.482508 51.11739 7.982192 11.55397       8.708803 
1 1 1 -53 7  10 o 75.40169 3.584029 702.6223       53.78450 709.9515       60.92572 676.7401       114.4908 76.47884 3.292737 74.32454 6.367020 2.154305       7.168058 
1 1 1 -53 7  11 f 127.4858 3.184274 1978.402       81.89323 1976.285       92.98221 1985.723       172.9170 127.6000 3.011944 127.3716 5.611292 0.2284088      6.368548 
1 1 1 -53 7  12 o 44.84021 5.428074 227.2610       46.30917 210.3018       51.28212 302.2011       107.8004 41.45114 5.113605 48.22929 9.576378 -6.778145      10.85615 
1 1 1 -53 7  13 o 18.24845 5.588817 2.046743       42.26284 27.67880       46.48790 -120.0476      101.4603 18.54965 7.213489 17.94724 8.538447 0.6024113      11.17763 
1 1 1 -53 7  14 f 192.3044 3.614326 4643.553       145.4194 4745.058       168.9486 4353.361       285.6631 197.2666 3.539962 187.3423 6.302545 9.924301       7.228652 
1 1 1 -53 7  15 o 98.98942 3.593592 1246.136       68.69716 1272.920       77.28169 1145.271       149.9727 102.1994 3.125546 95.77943 6.471985 6.419968       7.187185 
1 1 1 -53 7  16 o 20.14311 6.275367 -25.55666      46.39939 -43.46221      51.27131 55.45509       109.0572 13.66260 6.363363 26.62362 10.81797 -12.96102      12.55073 
1 1 1 -53 7  17 o 34.15688 6.708305 164.6995       50.26810 173.7630       54.81475 116.7638       126.0602 37.10570 6.105968 31.20806 11.94666 5.897642       13.41661 
1 1 1 -53 7  18 o 52.41960 4.028978 348.6759       50.87227 386.9396       72.25860 311.0709       71.63397 55.40010 5.391090 49.43909 5.988889 5.961014       8.057956 
1 1 1 -53 7  19 o 28.54796 6.405626 115.1291       49.71858 102.6160       68.16854 129.3504       72.67279 27.11600 8.948687 29.97992 9.167835 -2.863916      12.81125 
1 1 1 -53 9  1  o 108.1372 3.451663 1504.896       73.55814 1570.683       83.78829 1283.760       153.6189 113.8023 3.043196 102.4721 6.196359 11.33020       6.903326 
1 1 1 -53 9  2  o 134.4385 3.280377 2295.227       90.01184 2387.395       103.8402 2016.657       180.5279 140.3154 3.058848 128.5616 5.804044 11.75380       6.560753 
1 1 1 -53 9  3  o 94.72229 3.413661 1125.681       64.33275 1153.264       73.13097 1031.291       135.2826 97.52593 3.099409 91.91865 6.083255 5.607285       6.827322 
1 1 1 -53 9  4  o 183.3020 3.501824 4042.404       130.5089 4004.076       148.3390 4173.706       274.5587 181.6871 3.374652 184.9169 6.137002 -3.229752      7.003647 
1 1 1 -53 9  5  o 88.79985 3.389013 927.3459       58.57751 906.4662       65.28630 1013.563       132.6656 86.46262 3.120982 91.13708 6.016736 -4.674469      6.778026 
1 1 1 -53 9  6  o 134.0961 3.255719 2170.917       87.21032 2158.659       98.50882 2215.348       187.5445 133.4275 3.051599 134.7647 5.752092 -1.337234      6.511437 
1 1 1 -53 9  7  o 36.49786 6.305950 198.9457       54.32418 239.3638       62.04886 66.25819       112.4244 44.28190 5.791689 28.71382 11.20341 15.56808       12.61190 
1 1 1 -53 9  8  o 109.1438 3.202426 1389.767       68.39115 1349.846       76.25891 1553.837       154.5986 105.4934 2.987879 112.7941 5.665219 -7.300735      6.404852 
1 1 1 -53 9  9  o 108.6123 3.303372 1366.888       69.23360 1323.064       76.78458 1557.406       160.0979 104.4174 3.039478 112.8072 5.866058 -8.389854      6.606744 
1 1 1 -53 9  10 o 57.21013 4.612726 392.7041       49.13422 387.2077       54.14911 418.3224       116.9041 56.40181 3.968221 58.01844 8.328397 -1.616627      9.225452 
1 1 1 -53 9  11 o 194.1843 3.600556 4567.180       142.9927 4525.026       163.0074 4707.912       297.8423 192.8670 3.493389 195.5016 6.297003 -2.634552      7.201112 
1 1 1 -53 9  12 o 16.80742 5.549839 -37.00222      44.11037 -23.68300      48.60831 -99.14336      104.9931 14.50688 6.542614 19.10797 8.966440 -4.601089      11.09968 
1 1 1 -53 9  13 o 28.32505 6.801003 74.74308       44.60561 59.51036       48.93000 149.6728       108.5210 22.44285 7.584901 34.20724 11.29087 -11.76439      13.60201 
1 1 1 -53 9  14 o 24.93793 6.944072 22.83888       45.25927 5.498650       48.66943 133.7299       123.0770 16.65417 7.033943 33.22168 11.97515 -16.56752      13.88814 
1 1 1 -53 9  15 o 30.96308 6.838360 36.46469       48.82264 -5.872822      52.71267 291.9691       129.4945 16.31568 7.110277 45.61047 11.68318 -29.29479      13.67672 
1 1 1 -53 9  16 o 41.48752 6.896392 220.3843       53.24208 214.6593       57.83000 252.2308       136.3948 41.38448 5.775817 41.59056 12.52521 -0.2060890     13.79278 
1 1 1 -53 9  17 f 19.02502 6.256863 -29.28726      51.27587 -26.51604      55.93716 -43.86675      128.3030 15.26606 6.938297 22.78399 10.41409 -7.517927      12.51373 
1 1 1 -53 9  18 o 20.15934 6.106137 16.43110       52.40010 51.39349       57.24133 -164.4259      130.1898 21.45759 8.089338 18.86110 9.148893 2.596495       12.21227 
1 1 1 -53 9  19 o 38.21247 7.070772 200.0138       55.50086 184.2295       61.60300 268.0547       127.9013 36.50135 7.231441 39.92359 12.15276 -3.422245      14.14154 
1 1 1 -53 11 1  o 140.2161 3.425567 2410.291       94.47091 2418.518       106.3585 2379.536       205.6408 141.1418 3.114686 139.2903 6.102193 1.851532       6.851133 
1 1 1 -53 11 2  o 56.34206 5.923173 448.7550       53.62774 471.3673       58.60838 332.4212       132.9352 62.25971 3.890902 50.42441 11.18914 11.83530       11.84635 
1 1 1 -53 11 3  o 148.3873 3.330920 2670.783       99.60100 2660.836       112.9611 2705.532       211.1275 148.0676 3.153309 148.7070 5.868283 -0.6394196     6.661839 
1 1 1 -53 11 4  o 81.55727 3.730584 701.0333       56.35068 647.7913       61.23380 995.4789       144.0014 73.03584 3.465396 90.07870 6.607576 -17.04286      7.461168 
1 1 1 -53 11 5  o 143.8251 3.311440 2513.246       95.46820 2507.675       108.0859 2533.016       203.6095 143.7513 3.107813 143.8988 5.848421 -0.1475525     6.622879 
1 1 1 -53 11 6  f 172.1097 3.477968 3576.680       120.4749 3547.854       136.4289 3678.763       256.7336 170.9388 3.298855 173.2806 6.123936 -2.341736      6.955935 
1 1 1 -53 11 7  o 90.96100 3.743768 1056.462       65.97202 1089.734       74.45630 934.9196       142.3070 94.73042 3.248701 87.19159 6.746047 7.538826       7.487536 
1 1 1 -53 11 8  f 68.99306 4.286314 525.6955       54.17931 497.6103       58.94414 678.6437       137.5543 63.95200 3.809642 74.03411 7.679622 -10.08211      8.572629 
1 1 1 -53 11 9  o 23.64424 6.643663 41.81232       45.16594 41.73197       49.36923 42.22486       111.8603 20.48008 7.553256 26.80840 10.93167 -6.328320      13.28733 
1 1 1 -53 11 10 o 54.15967 4.937226 303.7232       50.45945 273.1927       54.95033 467.9358       127.4403 47.25013 4.806899 61.06921 8.625458 -13.81909      9.874452 
1 1 1 -53 11 11 o 67.99526 5.090257 682.2318       58.04616 740.0853       64.32830 428.6734       134.6717 77.96027 3.410566 58.03025 9.592232 19.93001       10.18051 
1 1 1 -53 11 12 f 103.1988 3.731612 1317.452       72.21036 1321.094       80.08092 1301.606       167.0276 104.1640 3.177672 102.2336 6.752933 1.930412       7.463223 
1 1 1 -53 11 13 o 44.67128 6.651120 260.6122       51.44350 260.4808       55.61076 261.3920       135.4447 45.97581 4.999505 43.36675 12.32698 2.609062       13.30224 
1 1 1 -53 11 14 o 22.46582 6.953050 8.205862       49.33480 4.895858       52.70453 31.63593       140.2234 17.14728 7.284979 27.78436 11.84520 -10.63708      13.90610 
1 1 1 -53 11 15 o 124.2828 3.788638 1947.040       102.1179 1976.468       120.9255 1873.885       190.6595 126.7813 3.942398 121.7842 6.470905 4.997009       7.577277 
1 1 1 -53 11 16 o 62.05222 5.358338 479.6521       59.87826 469.4526       65.48221 531.7073       147.9330 61.53556 4.398402 62.56888 9.772471 -1.033321      10.71668 
1 1 1 -53 11 17 o 52.38492 6.204436 354.4702       58.90181 341.7940       64.97092 412.9685       139.5716 52.06568 5.157808 52.70416 11.28615 -0.6384850     12.40887 
1 1 1 -53 11 18 o 24.45745 6.859009 70.97587       55.80803 86.98842       61.38718 -5.298037      133.9786 25.17171 8.495795 23.74319 10.77059 1.428511       13.71802 
1 1 1 -53 11 19 o 19.88045 6.515550 -20.99413      54.56929 -35.51108      59.86752 50.30339       132.6756 14.81705 6.892727 24.94386 11.05893 -10.12681      13.03110 
1 1 1 -53 13 1  o 41.79505 6.540453 225.0682       50.14103 226.2088       54.67646 219.0363       125.7382 42.94735 5.262132 40.64274 11.97581 2.304611       13.08091 
1 1 1 -53 13 2  o 44.52234 6.579933 242.3355       49.67139 237.9825       53.38041 270.4343       135.6220 44.09424 5.003775 44.95045 12.17145 -0.8562088     13.15987 
1 1 1 -53 13 3  o 177.5304 3.560985 3906.958       129.3221 3952.787       148.2239 3760.857       264.6502 180.2917 3.398131 174.7691 6.259007 5.522675       7.121970 
1 1 1 -53 13 4  o 28.65047 6.959154 96.08252       47.22190 102.5436       50.64957 53.13504       130.5845 28.25406 7.342417 29.04689 11.82405 -0.7928295     13.91831 
1 1 1 -53 13 5  o 155.5855 3.455266 3009.437       108.7311 3052.086       124.1002 2868.531       225.5703 158.4651 3.236954 152.7059 6.105536 5.759201       6.910532 
1 1 1 -53 13 6  o 90.06781 4.200100 1105.151       66.85889 1165.589       74.10276 840.5712       155.0450 97.93678 3.127420 82.19883 7.796320 15.73795       8.400201 
1 1 1 -53 13 7  o 20.74703 6.436065 7.951121       47.95189 20.67899       51.60719 -72.46877      129.7222 18.56144 7.476922 22.93262 10.47795 -4.371181      12.87213 
1 1 1 -53 13 8  o 117.8236 3.534257 1637.922       78.32079 1601.755       86.38860 1804.878       185.6079 114.7772 3.110990 120.8701 6.347097 -6.092979      7.068515 
1 1 1 -53 13 9  o 56.26670 5.826786 424.1026       54.22876 433.9111       59.21511 373.1112       135.0146 59.60335 4.106384 52.93005 10.90612 6.673294       11.65357 
1 1 1 -53 13 10 o 35.35089 7.324615 129.2614       47.89338 116.9886       50.94088 222.7246       140.5776 30.04296 7.117690 40.65883 12.80384 -10.61588      14.64923 
1 1 1 -53 13 11 f 114.5695 3.836637 1601.465       79.83615 1591.550       87.58035 1650.208       194.1865 114.2999 3.167076 114.8391 6.989189 -0.5392303     7.673274 
1 1 1 -53 13 12 o 72.75500 4.495470 543.9260       58.42827 495.3572       62.83764 854.0155       158.7760 63.56767 4.085839 81.94234 8.008926 -18.37467      8.990939 
1 1 1 -53 13 13 o 83.67616 4.421969 915.7476       66.24538 936.6483       73.03786 818.7983       157.3040 87.50997 3.449755 79.84236 8.143368 7.667610       8.843939 
1 1 1 -53 13 14 o 44.87899 7.148833 271.8669       55.94952 271.0647       60.18061 276.9780       151.8989 46.61387 5.336286 43.14411 13.26451 3.469757       14.29767 
1 1 1 -53 13 15 o 84.82924 4.354867 848.0223       66.57409 816.5861       72.47045 1017.966       168.4989 81.44463 3.677869 88.21384 7.895108 -6.769218      8.709733 
1 1 1 -53 13 16 o 32.64275 7.680891 144.8430       57.87370 144.8877       62.23301 144.5568       157.4017 32.41467 7.987257 32.87082 13.12204 -0.4561501     15.36178 
1 1 1 -53 13 17 o 33.76555 7.645104 153.2096       56.87650 142.3443       61.78437 213.5634       145.6166 31.73426 8.038286 35.79684 13.00678 -4.062574      15.29021 
1 1 1 -53 13 18 o 37.22589 7.715236 139.0372       57.63132 91.65111       62.10176 433.0756       154.6965 25.20497 8.544913 49.24680 12.84850 -24.04183      15.43047 
1 1 1 -53 15 1  o 155.6031 3.844964 3030.538       131.5755 3098.467       157.4506 2873.290       239.5576 159.1776 4.088465 152.0286 6.513020 7.148956       7.689927 
1 1 1 -53 15 2  o 36.17876 5.157931 169.9146       43.54911 148.3588       67.39708 185.3657       57.06088 33.65835 8.323142 38.69918 6.094449 -5.040825      10.31586 
1 1 1 -53 15 3  o 76.30217 3.111576 712.8884       57.41280 693.4907       81.63361 731.8737       80.76133 75.25774 4.483483 77.34660 4.315786 -2.088852      6.223153 
1 1 1 -53 15 4  o 52.38402 3.753037 334.5123       47.25260 363.7137       71.99655 312.4153       62.62897 54.34609 5.475718 50.42195 5.133970 3.924145       7.506073 
1 1 1 -53 15 5  o 61.54392 3.534436 465.4740       52.46321 460.1721       77.03742 470.0595       71.64417 61.17826 5.204779 61.90958 4.783224 -0.7313194     7.068872 
1 1 1 -53 15 6  o 86.81553 2.957938 916.8978       61.93973 1021.311       91.05994 826.9873       84.49952 91.40636 4.117642 82.22469 4.247660 9.181671       5.915876 
1 1 1 -53 15 7  o 21.67535 5.664944 38.63782       43.87058 -24.50877      68.03461 83.58239       57.39758 17.51596 7.832513 25.83473 8.186458 -8.318766      11.32989 
1 1 1 -53 15 8  o 58.60181 3.660593 422.0123       51.81849 440.8939       75.92090 405.5450       70.90117 59.81174 5.246535 57.39188 5.106233 2.419861       7.321185 
1 1 1 -53 15 9  o 54.91334 3.773819 372.4522       50.12898 371.4691       71.48991 373.4033       70.31096 54.83096 5.389104 54.99572 5.284353 -0.1647530     7.547637 
1 1 1 -53 15 10 o 127.1467 4.032883 1981.394       124.0575 0.000000       0.000000 1981.394       124.0575 ?        ?        127.1467 4.032883 ?              ?        
1 1 1 -53 15 11 o 64.10734 3.587145 509.4820       55.14847 426.6194       76.76301 597.8708       79.28139 58.61045 5.413456 69.60423 4.707965 -10.99379      7.174291 
1 1 1 -53 15 12 o 26.14241 6.101253 77.82235       47.07844 133.0607       71.26512 35.04989       62.71027 31.40963 8.946243 20.87518 8.298546 10.53446       12.20251 
1 1 1 -53 15 13 o 30.54494 5.369948 124.3735       48.69032 7.906914       73.44716 215.6887       65.03477 19.89751 8.529990 41.19238 6.525690 -21.29487      10.73990 
1 1 1 -53 15 14 o 68.59337 3.433459 585.7633       56.86688 623.2317       83.68151 553.6130       77.51576 70.60451 4.898857 66.58222 4.812043 4.022285       6.866918 
1 1 1 -53 15 15 o 89.96553 4.525478 977.3536       69.02522 950.0663       74.32138 1148.602       186.1860 87.72458 3.501791 92.20648 8.346093 -4.481903      9.050956 
1 1 1 -53 15 16 o 42.05705 7.521186 264.9273       59.83380 263.5835       64.27934 273.6466       163.7371 45.07859 5.893845 39.03551 13.83964 6.043083       15.04237 
1 1 1 -53 15 17 o 37.56204 8.089053 128.5329       63.67257 69.46314       68.50882 503.1529       172.5280 23.09212 8.814862 52.03197 13.56574 -28.93986      16.17811 
1 1 1 -53 17 1  o 95.07713 2.991051 1109.433       68.66505 1209.341       98.75043 1015.911       95.54307 99.25724 4.112203 90.89701 4.344575 8.360229       5.982102 
1 1 1 -53 17 2  o 60.51318 3.863320 463.1856       55.07460 351.2939       79.00935 568.9391       76.81163 53.06005 6.154724 67.96632 4.671227 -14.90627      7.726641 
1 1 1 -53 17 3  o 22.86017 6.037410 50.09800       45.64541 76.91934       66.84755 26.66813       62.47843 25.43429 8.856614 20.28606 8.207417 5.148224       12.07482 
1 1 1 -53 17 4  o 60.27165 3.710450 447.9239       54.01718 469.4784       79.21043 429.1859       73.85417 61.60685 5.314361 58.93645 5.179511 2.670403       7.420900 
1 1 1 -53 17 5  o 106.0980 2.873492 1378.682       73.71564 1447.152       105.7755 1314.025       102.7880 108.6709 4.023179 103.5250 4.103883 5.145943       5.746984 
1 1 1 -53 17 6  o 28.42791 6.237372 104.2384       47.32064 113.1442       69.30519 96.46049       64.76795 29.41740 8.943853 27.43843 8.696362 1.978970       12.47474 
1 1 1 -53 17 7  o 25.42512 6.157418 76.99279       47.08369 45.80791       69.07411 104.0575       64.34946 22.59230 8.790880 28.25795 8.624128 -5.665653      12.31484 
1 1 1 -53 17 8  o 51.09122 4.225612 327.8527       51.45664 261.8357       71.97176 396.8845       73.59682 45.64654 6.517063 56.53591 5.380620 -10.88937      8.451224 
1 1 1 -53 17 9  o 20.13836 5.916213 18.53651       47.31437 29.83067       70.74272 9.395253       63.64406 21.33354 8.695629 18.94318 8.024482 2.390360       11.83243 
1 1 1 -53 17 10 o 34.29248 5.929264 153.4547       49.97972 222.9185       75.74171 99.88020       66.51728 40.97443 7.927090 27.61054 8.819632 13.36389       11.85853 
1 1 1 -53 17 11 o 31.88284 5.726997 129.4883       49.34333 230.1847       73.18069 45.54392       66.81674 41.69683 7.531391 22.06885 8.629725 19.62798       11.45399 
1 1 1 -53 17 12 o 65.47192 3.684180 537.6335       58.06138 469.8429       80.81129 609.9684       83.47592 61.08777 5.467836 69.85606 4.939179 -8.768295      7.368359 
1 1 1 -53 17 13 o 52.57635 4.396348 356.0318       55.62209 339.0656       81.62260 370.7414       76.00095 51.21762 6.587016 53.93509 5.824320 -2.717476      8.792695 
1 1 1 -53 17 14 o 69.87212 3.642363 618.8619       61.45506 568.2009       85.14650 673.9500       88.78904 66.81702 5.267170 72.92720 5.032311 -6.110176      7.284726 
1 1 1 -53 17 15 f 18.92394 5.908176 1.920197       52.98523 8.923139       76.60490 -4.502901      73.36494 19.48775 8.529867 18.36013 8.177258 1.127613       11.81635 
1 1 1 -53 17 16 o 23.94423 6.484390 63.53571       57.57058 -4.375201      79.85484 137.0337       83.07477 18.63605 8.397119 29.25242 9.883201 -10.61637      12.96878 
1 1 1 -53 19 1  o 89.21262 3.212937 987.0223       69.30280 974.2198       99.39944 999.1326       96.67525 88.60480 4.636864 89.82043 4.448748 -1.215637      6.425875 
1 1 1 -53 19 2  o 78.02284 3.326999 754.0221       62.74779 782.3591       91.09547 728.4388       86.55599 79.40030 4.742118 76.64538 4.667763 2.754921       6.653999 
1 1 1 -53 19 3  o 24.39986 6.442237 65.55615       51.10094 71.77808       73.46247 59.72318       71.12927 25.03164 9.216537 23.76808 9.003617 1.263561       12.88447 
1 1 1 -53 19 4  o 36.83677 5.982766 179.0363       52.94986 250.1957       79.79088 123.0401       70.78094 43.46213 7.878326 30.21141 9.005882 13.25071       11.96553 
1 1 1 -53 19 5  o 31.55428 6.311644 130.5473       51.18507 179.0276       77.40975 92.88408       68.22948 36.23866 8.895129 26.86991 8.956788 9.368757       12.62329 
1 1 1 -53 19 6  o 52.46873 6.181525 358.8967       66.99828 382.7484       131.2712 350.4951       77.90963 52.22083 10.74849 52.71663 6.108593 -0.4957924     12.36305 
1 1 1 -53 19 7  o 15.15824 5.050443 -74.82030      49.32796 -125.1402      73.12852 -32.80988      66.81831 13.72868 6.703288 16.58780 7.556045 -2.859129      10.10089 
1 1 1 -53 19 8  o 33.49305 6.071938 155.1413       49.83190 129.5184       73.38843 177.0617       67.87943 30.74840 9.171246 36.23771 7.960022 -5.489309      12.14388 
1 1 1 -53 19 9  o 24.03945 6.411072 63.86724       51.15928 50.31370       72.65798 77.19350       72.04620 22.85851 8.981254 25.22039 9.151200 -2.361877      12.82214 
1 1 1 -53 19 10 o 72.16465 3.598695 654.1158       62.82766 652.8177       89.23143 655.3919       88.47682 72.07919 5.116885 72.25011 5.061611 -0.1709137     7.197389 
1 1 1 -53 19 11 o 39.78083 5.838342 216.7619       58.87695 81.17485       79.93987 377.5108       87.04191 25.65371 9.581510 53.90795 6.673802 -28.25424      11.67668 
1 1 1 -53 19 12 o 23.67957 6.397322 59.82672       54.11057 10.87215       79.05453 102.9788       74.22171 20.14743 8.744102 27.21171 9.340427 -7.064283      12.79464 
1 1 1 -53 19 13 o 40.55686 6.171764 231.7035       58.54909 179.8824       76.50937 304.9373       90.95306 34.88701 9.003791 46.22671 8.443604 -11.33970      12.34353 
1 1 1 -53 19 14 o 23.91886 6.321078 59.26294       57.85651 141.8118       78.65717 -38.04815      85.40120 30.11573 9.587670 17.72199 8.240189 12.39375       12.64216 
1 1 1 -53 19 15 o 22.27066 6.456353 22.04583       61.63344 -66.79053      81.32689 141.9091       94.46739 15.81455 7.557063 28.72676 10.47038 -12.91221      12.91271 
1 1 1 -53 21 6  o 36.60632 9.160169 200.5285       94.97198 190.3629       111.7947 226.8888       180.0229 35.56971 11.44148 37.64293 14.30830 -2.073215      18.32034 
1 1 1 -53 21 7  o 40.68488 7.972965 286.7056       91.78557 364.0690       108.3914 90.63653       172.5566 50.90192 9.137321 30.46785 13.06836 20.43407       15.94593 
1 1 1 -53 21 8  o 43.10046 8.504997 222.6384       69.77976 188.8517       75.13803 434.5033       188.1552 36.51847 8.639455 49.68244 14.65264 -13.16397      17.00999 
1 1 1 -53 21 9  o 64.88223 5.748774 542.1489       90.24089 542.1489       90.24089 0.000000       0.000000 64.88223 5.748774 ?        ?        ?              ?        
1 1 1 -53 21 10 o 36.53411 6.556174 199.5484       58.74574 233.4722       81.79940 163.4155       84.42065 40.23873 8.659028 32.82949 9.846569 7.409241       13.11235 
1 1 1 -53 21 11 o 30.39592 7.054659 141.5286       60.20883 117.9181       82.05470 169.0686       88.62009 28.02801 9.809461 32.76384 10.14137 -4.735823      14.10932 
1 1 1 -53 21 12 o 42.84137 6.112731 275.5026       61.67242 301.1758       83.14655 244.1032       91.95277 46.39213 7.407943 39.29062 9.725447 7.101513       12.22546 
1 1 1 -52 0  1  o 140.6194 2.673774 2399.538       128.4330 2399.538       128.4330 2399.538       128.4330 140.6194 3.781287 140.6194 3.781287 0.000000       0.000000 
1 1 1 -52 0  2  o 103.4570 2.595906 1300.773       91.62718 1300.773       91.62718 1300.773       91.62718 103.4570 3.671166 103.4570 3.671166 0.000000       0.000000 
1 1 1 -52 0  3  o 43.05083 4.710585 240.2564       64.44003 240.2564       64.44003 240.2564       64.44003 43.05083 6.661773 43.05083 6.661773 0.000000       0.000000 
1 1 1 -52 0  4  o 42.29290 4.721042 232.4446       63.22373 232.4446       63.22373 232.4446       63.22373 42.29290 6.676561 42.29290 6.676561 0.000000       0.000000 
1 1 1 -52 0  5  o 85.46254 2.611428 889.2172       76.03653 889.2172       76.03653 889.2172       76.03653 85.46254 3.693117 85.46254 3.693117 0.000000       0.000000 
1 1 1 -52 0  6  o 98.47177 2.532205 1178.602       85.05951 1178.602       85.05951 1178.602       85.05951 98.47177 3.581078 98.47177 3.581078 0.000000       0.000000 
1 1 1 -52 0  7  o 90.07016 2.596704 987.1562       79.72173 987.1562       79.72173 987.1562       79.72173 90.07016 3.672293 90.07016 3.672293 0.000000       0.000000 
1 1 1 -52 0  8  o 190.1498 2.965584 4386.007       192.7286 4386.007       192.7286 4386.007       192.7286 190.1498 4.193969 190.1498 4.193969 0.000000       0.000000 
1 1 1 -52 0  9  f 21.43670 6.677972 80.37437       51.37177 80.37437       51.37177 80.37437       51.37177 21.43670 9.444078 21.43670 9.444078 0.000000       0.000000 
1 1 1 -52 0  10 o 15.39795 6.132524 38.40812       49.18985 38.40812       49.18985 38.40812       49.18985 15.39795 8.672698 15.39795 8.672698 0.000000       0.000000 
1 1 1 -52 0  11 o 34.10744 5.164736 159.2712       52.93029 159.2712       52.93029 159.2712       52.93029 34.10744 7.304039 34.10744 7.304039 0.000000       0.000000 
1 1 1 -52 0  12 o 79.42155 2.604846 769.4384       70.43753 769.4384       70.43753 769.4384       70.43753 79.42155 3.683808 79.42155 3.683808 0.000000       0.000000 
1 1 1 -52 0  13 o 20.83576 6.682032 77.19778       51.43199 77.19778       51.43199 77.19778       51.43199 20.83576 9.449821 20.83576 9.449821 0.000000       0.000000 
1 1 1 -52 0  14 o 98.33067 2.472615 1177.376       82.94983 1177.376       82.94983 1177.376       82.94983 98.33067 3.496806 98.33067 3.496806 0.000000       0.000000 
1 1 1 -52 0  15 o 17.39381 6.477850 54.39151       51.24763 54.39151       51.24763 54.39151       51.24763 17.39381 9.161064 17.39381 9.161064 0.000000       0.000000 
1 1 1 -52 0  16 o 150.9046 2.707541 2774.168       139.5927 2774.168       139.5927 2774.168       139.5927 150.9046 3.829041 150.9046 3.829041 0.000000       0.000000 
1 1 1 -52 0  17 o 23.46364 7.199664 98.45106       59.74383 98.45106       59.74383 98.45106       59.74383 23.46364 10.18186 23.46364 10.18186 0.000000       0.000000 
1 1 1 -52 0  18 o 14.69068 6.312277 27.33461       59.18456 27.33461       59.18456 27.33461       59.18456 14.69068 8.926908 14.69068 8.926908 0.000000       0.000000 
1 1 1 -52 0  19 o 10.63910 5.143262 -32.91218      58.92239 -32.91218      58.92239 -32.91218      58.92239 10.63910 7.273671 10.63910 7.273671 0.000000       0.000000 
1 1 1 -52 0  20 o 14.42925 6.854672 -22.41523      95.84709 -22.41523      95.84709 -22.41523      95.84709 14.42925 9.693971 14.42925 9.693971 0.000000       0.000000 
1 1 1 -52 2  1  o 223.6770 3.782731 6196.855       180.8369 6340.527       212.3732 5817.966       344.8813 228.7045 3.838155 218.6495 6.519569 10.05504       7.565462 
1 1 1 -52 2  2  o 212.5004 3.661164 5637.895       167.6472 5840.664       198.5246 5133.849       313.0023 219.5301 3.737817 205.4706 6.296444 14.05946       7.322328 
1 1 1 -52 2  3  f 103.0641 3.119687 1336.839       66.59751 1386.426       77.25169 1193.337       131.4172 106.9956 2.984281 99.13262 5.479402 7.862991       6.239373 
1 1 1 -52 2  4  o 188.8580 3.459801 4312.146       136.0986 4297.257       156.5923 4358.120       275.1752 188.3377 3.436615 189.3784 6.005878 -1.040741      6.919602 
1 1 1 -52 2  5  o 87.84943 3.107315 897.2534       56.48513 863.6602       64.28312 1011.065       118.3215 84.44272 3.146534 91.25613 5.359192 -6.813408      6.214629 
1 1 1 -52 2  6  o 140.4267 3.097105 2487.188       92.47802 2603.744       109.0124 2187.983       174.6597 146.6200 3.073128 134.2333 5.378116 12.38663       6.194211 
1 1 1 -52 2  7  o 84.03153 3.083663 843.6169       53.89038 831.6107       61.79697 881.7371       110.1135 82.85799 3.082695 85.20507 5.341620 -2.347076      6.167326 
1 1 1 -52 2  8  o 111.2258 2.989054 1537.848       69.82118 1577.830       81.28631 1425.342       136.3554 114.1306 2.943832 108.3210 5.203040 5.809563       5.978107 
1 1 1 -52 2  9  o 80.93362 3.158490 820.6893       52.91795 846.2500       61.26906 745.6276       104.9938 83.57145 3.030268 78.29581 5.542718 5.275642       6.316981 
1 1 1 -52 2  10 o 106.5660 2.919124 1380.711       65.18664 1382.899       75.32222 1374.182       130.1084 106.8273 2.914329 106.3047 5.058836 0.5225830      5.838247 
1 1 1 -52 2  11 o 108.9500 2.458807 1440.274       64.80034 1413.620       91.83575 1466.703       91.44852 107.9424 3.516556 109.9576 3.437552 -2.015198      4.917614 
1 1 1 -52 2  12 o 124.5958 2.516870 1884.988       75.86537 1886.904       107.8691 1883.112       106.7198 124.6561 3.576690 124.5354 3.542010 0.1207352      5.033741 
1 1 1 -52 2  13 o 111.7499 2.490272 1516.872       67.30774 1470.306       93.96629 1565.940       96.45764 109.9882 3.531212 113.5117 3.512317 -3.523529      4.980545 
1 1 1 -52 2  14 o 37.42046 4.305009 172.3747       38.97414 170.8883       54.94815 173.8797       55.28894 37.25729 6.095924 37.58363 6.080471 -0.3263397     8.610019 
1 1 1 -52 2  15 o 63.35101 3.090409 490.8029       47.23576 443.4461       65.91866 540.7843       67.72069 60.18514 4.527065 66.51688 4.208111 -6.331741      6.180819 
1 1 1 -52 2  16 o 20.12657 5.592497 31.41662       40.03661 21.11796       56.10683 42.10112       57.14816 19.07813 7.756518 21.17501 8.058568 -2.096889      11.18499 
1 1 1 -52 2  17 o 72.52200 3.001140 646.8295       52.53190 703.8422       74.83039 591.4305       73.76375 75.71706 4.084905 69.32694 4.397832 6.390114       6.002281 
1 1 1 -52 2  18 o 16.95909 5.065513 -22.77939      40.97125 -94.84056      58.50711 46.56385       57.39315 12.55471 6.099812 21.36347 8.088880 -8.808763      10.13103 
1 1 1 -52 2  19 o 41.44482 4.756192 222.7823       46.60284 245.4674       68.22816 202.9422       63.80653 43.75986 6.444443 39.12977 6.996757 4.630093       9.512384 
1 1 1 -52 2  20 o 24.01947 10.47269 27.25759       114.4819 27.25759       114.4819 0.000000       0.000000 24.01947 10.47269 ?        ?        ?              ?        
1 1 1 -52 4  1  o 325.0801 5.027404 12894.39       342.0497 12905.40       395.0267 12861.39       683.7790 325.9932 5.008592 324.1671 8.718554 1.826019       10.05481 
1 1 1 -52 4  2  o 275.1367 4.422460 9149.164       252.5740 9093.089       289.9847 9325.401       514.0935 273.7933 4.377740 276.4800 7.685571 -2.686646      8.844919 
1 1 1 -52 4  3  o 31.15172 6.091801 118.3393       41.57053 117.8461       46.84591 120.1666       90.17032 30.54643 6.536347 31.75701 10.28184 -1.210581      12.18360 
1 1 1 -52 4  4  o 134.6011 3.042535 2233.018       85.87923 2270.477       99.65488 2124.926       169.2852 136.9165 3.008433 132.2857 5.289367 4.630783       6.085070 
1 1 1 -52 4  5  o 56.37228 3.911951 363.8034       46.00817 343.9987       52.38865 430.5771       96.19563 53.26598 4.065228 59.47859 6.684861 -6.212605      7.823903 
1 1 1 -52 4  6  o 86.76170 3.242594 948.0751       58.05340 982.7002       67.21545 846.4009       115.1805 90.06985 3.084518 83.45356 5.704684 6.616287       6.485189 
1 1 1 -52 4  7  o 223.7927 3.779132 6184.308       179.8827 6298.186       210.4136 5875.075       346.7337 227.9224 3.815790 219.6629 6.524346 8.259430       7.558264 
1 1 1 -52 4  8  o 88.25597 3.113075 920.6389       56.10480 900.1077       63.68711 991.7906       118.5597 86.19171 3.054104 90.32024 5.425623 -4.128525      6.226150 
1 1 1 -52 4  9  o 41.24548 5.021064 199.5092       40.74518 190.1819       45.88786 234.2653       88.58039 39.56354 4.794025 42.92743 8.823925 -3.363888      10.04213 
1 1 1 -52 4  10 o 180.6822 3.349822 4008.341       127.1279 4049.752       147.4129 3888.162       251.1228 182.7457 3.334157 178.6188 5.811077 4.126892       6.699643 
1 1 1 -52 4  11 f 113.6904 3.008595 1604.836       71.26987 1639.356       82.55879 1503.867       141.1966 116.2820 2.934597 111.0987 5.253068 5.183342       6.017190 
1 1 1 -52 4  12 f 35.80025 5.458862 202.9148       41.15103 240.1057       46.74833 74.90779       86.72906 44.41519 4.350431 27.18532 10.01351 17.22987       10.91772 
1 1 1 -52 4  13 o 23.25738 6.081385 54.27671       40.31668 57.50403       45.67469 42.89114       85.78901 22.08163 7.326771 24.43313 9.708316 -2.351496      12.16277 
1 1 1 -52 4  14 o 95.67865 3.237441 1136.787       62.28151 1151.475       70.89074 1087.091       130.3946 97.34075 3.010180 94.01654 5.732617 3.324211       6.474881 
1 1 1 -52 4  15 o 102.0887 2.627761 1271.659       64.89482 1260.117       92.24323 1282.969       91.31410 101.6217 3.751851 102.5557 3.680235 -0.9340210     5.255523 
1 1 1 -52 4  16 o 84.50037 2.805984 874.0220       57.36369 872.3881       81.34101 875.6387       80.90974 84.41820 3.982641 84.58253 3.953828 -0.1643372     5.611968 
1 1 1 -52 4  17 o 58.23658 3.400345 419.1993       47.90636 419.5691       68.14878 418.8380       67.35778 58.25512 4.835281 58.21804 4.782201 0.3707123E-01  6.800691 
1 1 1 -52 4  18 o 29.28674 5.571723 112.0124       43.27263 172.7437       62.53030 56.19915       59.94501 36.06352 7.414403 22.50997 8.318835 13.55355       11.14345 
1 1 1 -52 4  19 o 33.19700 5.820646 151.9041       46.50439 144.6051       64.33317 159.8921       67.30149 32.36636 8.204605 34.02764 8.258580 -1.661278      11.64129 
1 1 1 -52 4  20 o 27.53367 11.49263 83.55740       127.5576 83.55740       127.5576 0.000000       0.000000 27.53367 11.49263 ?        ?        ?              ?        
1 1 1 -52 6  1  o 121.7353 3.071874 1761.267       76.26827 1730.001       86.62012 1869.126       160.8824 119.4905 2.996285 123.9801 5.363574 -4.489586      6.143749 
1 1 1 -52 6  2  o 248.0153 4.061784 7626.523       215.0516 7797.957       252.3634 7171.921       410.9551 253.5356 4.114197 242.4950 7.004694 11.04059       8.123568 
1 1 1 -52 6  3  o 112.3185 3.148072 1562.104       72.58276 1591.115       83.42458 1471.743       147.2326 114.6043 3.008783 110.0326 5.530702 4.571686       6.296144 
1 1 1 -52 6  4  o 112.9994 3.154563 1527.208       71.54429 1509.958       80.84143 1589.530       153.6605 111.6455 2.992889 114.3533 5.554069 -2.707809      6.309126 
1 1 1 -52 6  5  o 176.7707 3.361374 3832.209       124.7067 3872.232       144.5394 3715.646       246.6671 178.7551 3.342145 174.7862 5.833131 3.968918       6.722749 
1 1 1 -52 6  6  o 159.6505 3.260698 3150.157       108.3430 3206.256       125.2992 2983.938       215.6798 162.6658 3.183829 156.6352 5.691383 6.030640       6.521396 
1 1 1 -52 6  7  o 96.13046 3.237396 1162.406       62.72625 1197.461       71.77063 1049.018       129.0775 99.41381 2.983992 92.84710 5.746192 6.566711       6.474792 
1 1 1 -52 6  8  o 30.58370 6.059269 88.58427       40.55404 63.31790       45.47811 186.6746       89.60744 22.96098 7.288221 38.20642 9.681983 -15.24544      12.11854 
1 1 1 -52 6  9  o 27.29723 5.372810 105.9962       39.90514 136.6704       44.54236 -18.73885      89.82149 33.50238 5.495349 21.09208 9.234149 12.41030       10.74562 
1 1 1 -52 6  10 o 135.9453 3.095305 2231.392       86.31796 2218.186       98.56755 2274.836       178.7816 135.2597 3.012057 136.6309 5.408436 -1.371185      6.190611 
1 1 1 -52 6  11 o 104.5988 3.094815 1351.591       66.69080 1370.794       76.70095 1292.088       135.0157 106.3073 2.982190 102.8904 5.423841 3.416924       6.189630 
1 1 1 -52 6  12 o 92.80483 3.326863 1080.686       61.67025 1105.512       70.19294 996.6686       129.1276 95.43175 3.040173 90.17792 5.918566 5.253830       6.653726 
1 1 1 -52 6  13 o 46.12809 5.447322 275.7661       45.54734 279.9149       50.60321 258.0607       104.5363 47.89241 4.367260 44.36377 9.980998 3.528641       10.89464 
1 1 1 -52 6  14 o 49.68679 4.739178 283.7172       46.50220 268.5135       51.80238 346.8174       105.5337 46.83895 4.571305 52.53463 8.303156 -5.695671      9.478355 
1 1 1 -52 6  15 o 65.10465 4.790235 580.8146       63.99467 645.2065       75.84303 421.6538       119.2389 72.57614 4.319361 57.63317 8.551520 14.94297       9.580469 
1 1 1 -52 6  16 o 23.56749 5.885622 65.77698       45.80015 100.0114       50.19947 -104.2594      111.8764 27.65042 7.370135 19.48456 9.178414 8.165859       11.77124 
1 1 1 -52 6  17 o 34.97778 5.385378 161.9311       44.29939 176.5320       63.65158 148.2154       61.69196 36.59169 7.443299 33.36387 7.785017 3.227814       10.77076 
1 1 1 -52 6  18 o 19.52998 5.710066 21.21744       44.13811 31.76818       61.88790 10.29537       62.96754 20.32413 8.187550 18.73583 7.961372 1.588303       11.42013 
1 1 1 -52 6  19 o 38.10544 5.525069 198.6315       49.20288 193.9847       68.30340 203.6437       70.93813 37.66340 7.754205 38.54747 7.872601 -0.8840752     11.05014 
1 1 1 -52 6  20 o 29.21444 11.61935 121.7133       122.9968 121.7133       122.9968 0.000000       0.000000 29.21444 11.61935 ?        ?        ?              ?        
1 1 1 -52 8  1  o 127.4283 3.162376 1941.287       81.08295 1916.638       91.68682 2029.744       173.6883 125.7507 3.013660 129.1059 5.560606 -3.355202      6.324752 
1 1 1 -52 8  2  o 80.75722 3.683941 827.5715       58.14195 853.5220       65.79156 735.0387       124.2355 83.90883 3.240860 77.60561 6.616835 6.303223       7.367881 
1 1 1 -52 8  3  o 206.7132 3.677798 5248.997       158.7478 5302.181       183.5339 5091.018       316.3215 209.0912 3.628091 204.3353 6.398574 4.755920       7.355596 
1 1 1 -52 8  4  o 84.48210 3.573162 935.1382       59.33423 991.6902       67.85619 751.4575       122.2919 90.45909 3.100523 78.50510 6.438688 11.95399       7.146324 
1 1 1 -52 8  5  o 139.7439 3.219648 2344.138       90.85413 2321.898       102.9619 2422.368       193.1053 138.4164 3.074587 141.0715 5.657867 -2.655090      6.439297 
1 1 1 -52 8  6  o 123.3294 3.214514 1890.285       80.39917 1927.625       91.96298 1769.185       165.6125 126.1176 3.013943 120.5413 5.678782 5.576340       6.429029 
1 1 1 -52 8  7  o 28.30898 6.842736 101.7994       46.34697 101.7994       46.34697 0.000000       0.000000 28.30898 6.842736 ?        ?        ?              ?        
1 1 1 -52 8  8  o 131.1665 3.220154 2201.402       87.20122 2316.004       101.4599 1877.454       170.5830 138.2190 3.034061 124.1139 5.680848 14.10516       6.440307 
1 1 1 -52 8  9  o 60.23959 4.544793 512.0950       49.32253 557.2569       55.49956 342.4152       107.5768 67.76951 3.384955 52.70967 8.435795 15.05983       9.089585 
1 1 1 -52 8  10 o 152.2700 3.228311 2812.055       100.6830 2802.479       114.9762 2843.546       208.5044 151.9764 3.127011 152.5636 5.648874 -0.5872498     6.456623 
1 1 1 -52 8  11 o 37.46289 6.003111 122.3308       43.01215 89.02106       46.79454 303.7478       109.2065 26.43466 7.145993 48.49113 9.648014 -22.05647      12.00622 
1 1 1 -52 8  12 o 52.15176 5.733028 420.1907       50.52656 467.9859       56.71354 236.2879       111.2470 61.99944 3.780913 42.30409 10.82475 19.69534       11.46606 
1 1 1 -52 8  13 o 147.9241 3.466674 2633.204       115.0545 2555.791       137.9357 2810.232       208.5876 144.7502 3.938723 151.0980 5.705942 -6.347885      6.933348 
1 1 1 -52 8  14 o 34.13989 5.748621 198.8849       46.63424 240.1896       51.14640 -4.712671      113.5538 44.23806 4.778776 24.04172 10.45705 20.19635       11.49724 
1 1 1 -52 8  15 o 31.30757 6.721726 134.4211       48.63526 145.8287       52.85241 71.37418       124.2510 33.59159 6.737690 29.02354 11.63314 4.568056       13.44345 
1 1 1 -52 8  16 o 27.19536 6.751283 90.51184       46.25756 97.98401       49.88754 44.69958       123.5264 27.30014 7.377718 27.09057 11.30878 0.2095699      13.50257 
1 1 1 -52 8  17 o 36.56370 6.622724 197.6021       50.64279 210.5170       55.33503 130.9935       125.6666 40.97894 5.581323 32.14846 12.01211 8.830482       13.24545 
1 1 1 -52 8  18 o 43.41291 6.626197 252.5213       53.15141 248.0835       58.22293 274.7174       130.2108 44.34278 5.427113 42.48304 12.09018 1.859745       13.25239 
1 1 1 -52 8  19 o 20.30242 5.807137 22.29383       47.40619 -27.07844      66.42309 73.55160       67.67953 16.48846 7.519642 24.11638 8.851346 -7.627922      11.61427 
1 1 1 -52 10 1  o 52.49165 5.868178 434.9369       49.15923 480.0763       54.29499 229.6252       115.7947 62.88583 3.568656 42.09747 11.18064 20.78835       11.73636 
1 1 1 -52 10 2  o 86.32362 3.794224 902.7601       61.33244 899.6668       67.84229 916.5973       143.4883 86.12181 3.256005 86.52544 6.854412 -0.4036331     7.588448 
1 1 1 -52 10 3  o 149.5295 3.347684 2746.734       101.2710 2769.652       115.3800 2669.839       211.3423 151.1286 3.155596 147.9303 5.905096 3.198349       6.695367 
1 1 1 -52 10 4  o 17.08521 5.646263 -88.79492      42.15313 -110.5431      46.48300 11.89768       100.0187 10.11515 5.015693 24.05527 10.11751 -13.94012      11.29253 
1 1 1 -52 10 5  o 49.06538 6.076998 392.4100       50.11456 442.0987       55.65692 179.5360       115.1998 60.34664 3.812095 37.78413 11.54069 22.56251       12.15400 
1 1 1 -52 10 6  o 121.4680 3.281249 1792.914       79.51804 1791.573       89.88701 1797.740       170.5422 121.5521 3.056555 121.3838 5.807225 0.1682892      6.562499 
1 1 1 -52 10 7  o 47.28474 6.021117 293.6938       56.88940 305.8724       65.54788 256.5140       114.5282 50.08314 5.409596 44.48634 10.75879 5.596798       12.04223 
1 1 1 -52 10 8  o 84.32540 3.796449 916.0828       59.99435 947.1721       67.05363 791.3147       134.3287 88.35435 3.136838 80.29646 6.914648 8.057892       7.592898 
1 1 1 -52 10 9  o 155.6791 3.385377 2983.479       106.4234 3007.309       121.1650 2903.034       222.6213 157.3952 3.181876 153.9629 5.976520 3.432312       6.770755 
1 1 1 -52 10 10 o 38.48917 6.279264 199.0298       45.44520 206.0287       49.59755 162.4033       113.4597 41.06447 4.992196 35.91387 11.52365 5.150604       12.55853 
1 1 1 -52 10 11 f 38.84625 6.495770 178.5007       47.13260 172.1713       51.19706 213.6823       120.7043 37.44714 5.650985 40.24536 11.69814 -2.798225      12.99154 
1 1 1 -52 10 12 o 108.4792 3.467187 1429.006       72.93161 1420.120       81.52779 1464.604       163.1779 108.0622 3.118383 108.8962 6.193645 -0.8339691     6.934374 
1 1 1 -52 10 13 o 34.68574 6.916804 134.5218       47.02154 123.7846       50.89327 197.1446       122.9081 30.93299 6.967783 38.43850 11.95068 -7.505508      13.83361 
1 1 1 -52 10 14 o 77.80947 4.497358 774.8379       58.46093 783.3033       63.25748 725.2826       153.0506 80.14992 3.262169 75.46902 8.382313 4.680893       8.994716 
1 1 1 -52 10 15 o 38.64900 6.658106 199.8363       50.15121 202.2389       54.82045 187.5074       124.1838 40.31686 5.620224 36.98114 12.07206 3.335716       13.31621 
1 1 1 -52 10 16 o 88.16481 4.422262 1049.477       81.60017 1139.095       96.87436 830.5770       151.4023 96.12135 4.165687 80.20827 7.802094 15.91309       8.844524 
1 1 1 -52 10 17 o 83.53867 4.165232 919.8641       65.57016 944.6141       73.44080 822.6056       145.5841 87.65543 3.463030 79.42191 7.576547 8.233521       8.330464 
1 1 1 -52 10 18 o 44.78029 6.983994 285.9731       57.13516 285.4916       62.30420 288.5187       143.2657 47.38901 5.434222 42.17157 12.86755 5.217434       13.96799 
1 1 1 -52 10 19 o 40.33221 6.619476 272.4563       56.01802 295.9059       62.47020 176.2046       126.5639 47.89980 5.390597 32.76462 12.09179 15.13518       13.23895 
1 1 1 -52 12 1  o 116.1307 3.503144 1681.255       79.03662 1705.799       88.86460 1588.340       172.9012 118.5307 3.098815 113.7306 6.283741 4.800087       7.006287 
1 1 1 -52 12 2  o 191.7056 3.675927 4336.838       139.0388 4230.686       155.6707 4755.503       309.1546 186.6159 3.447910 196.7952 6.493203 -10.17932      7.351855 
1 1 1 -52 12 3  o 89.52251 3.797530 938.1191       61.65498 918.0519       67.32869 1042.356       153.4501 86.96356 3.200078 92.08146 6.887993 -5.117897      7.595061 
1 1 1 -52 12 4  o 164.5831 3.466039 3336.458       115.4426 3364.654       131.5685 3242.118       240.6569 166.4770 3.266596 162.6892 6.114169 3.787857       6.932078 
1 1 1 -52 12 5  o 107.1974 3.564081 1489.245       73.96257 1554.967       83.75261 1256.395       157.6454 113.1962 3.058187 101.1985 6.438803 11.99777       7.128161 
1 1 1 -52 12 6  o 28.65561 6.215272 115.2562       45.53160 138.1391       49.18449 -21.85604      120.3956 33.01291 6.388983 24.29831 10.66299 8.714594       12.43054 
1 1 1 -52 12 7  o 61.39987 4.643935 395.1522       52.82291 362.3950       57.35712 578.1083       135.5524 54.53815 4.346950 68.26160 8.207835 -13.72345      9.287870 
1 1 1 -52 12 8  o 88.91650 3.859479 943.3046       63.03739 930.1937       69.19798 1007.258       152.8294 87.49603 3.268909 90.33698 6.992607 -2.840958      7.718958 
1 1 1 -52 12 9  o 109.9285 3.480685 1404.272       72.52132 1361.645       80.02102 1600.238       171.5746 105.8566 3.124523 114.0004 6.220774 -8.143723      6.961370 
1 1 1 -52 12 10 o 143.4644 3.401237 2484.935       96.42798 2459.699       108.4023 2580.607       211.0660 142.2294 3.150264 144.6995 6.029053 -2.470062      6.802473 
1 1 1 -52 12 11 o 42.11573 6.442646 166.6834       48.43368 137.5523       52.05130 354.6699       132.2260 32.70786 6.799556 51.52360 10.94517 -18.81573      12.88529 
1 1 1 -52 12 12 o 104.5422 3.718481 1344.570       72.10141 1343.552       79.64101 1349.197       169.7668 105.0440 3.133742 104.0403 6.744485 1.003662       7.436963 
1 1 1 -52 12 13 o 57.36256 5.750609 416.0446       55.72514 412.7327       60.67125 433.9084       140.9070 57.99327 4.324173 56.73184 10.65737 1.261433       11.50122 
1 1 1 -52 12 14 o 84.46127 4.504061 930.0113       66.53611 947.6136       72.87838 841.8799       163.0722 88.03580 3.421661 80.88675 8.332977 7.149055       9.008122 
1 1 1 -52 12 15 o 22.42629 6.767308 30.21575       51.07352 40.84394       54.89404 -38.26294      139.3392 20.56762 7.881113 24.28497 11.00336 -3.717348      13.53462 
1 1 1 -52 12 16 o 118.9759 3.798759 1774.845       86.42238 1773.024       96.43761 1782.272       194.7523 120.1868 3.316557 117.7650 6.835402 2.421761       7.597517 
1 1 1 -52 12 17 o 38.71201 7.523280 188.2973       56.53406 172.0527       61.17200 283.4027       148.0133 35.62732 7.341092 41.79671 13.13420 -6.169395      15.04656 
1 1 1 -52 12 18 o 26.39278 7.158337 88.09943       54.49143 89.27383       59.76167 82.30815       132.7095 25.32218 8.379799 27.46338 11.60802 -2.141201      14.31667 
1 1 1 -52 12 19 o 19.36614 7.803692 38.12787       56.23710 38.12787       56.23710 0.000000       0.000000 19.36614 7.803692 ?        ?        ?              ?        
1 1 1 -52 14 1  o 96.87662 3.935224 1075.658       67.06477 1042.148       72.56608 1271.862       175.5919 92.56411 3.240326 101.1891 7.172463 -8.625023      7.870448 
1 1 1 -52 14 2  o 71.67035 4.153822 547.2249       54.97763 506.6063       59.72841 772.5164       140.6667 64.48079 3.828673 78.85991 7.372803 -14.37912      8.307645 
1 1 1 -52 14 3  o 16.34555 5.088660 -11.41231      37.97132 -21.78306      62.97825 -5.489102      47.59528 17.01617 7.577678 15.67493 6.793869 1.341233       10.17732 
1 1 1 -52 14 4  o 61.97013 3.384400 468.1864       50.62567 515.0965       73.65244 426.1737       69.70182 64.91716 4.689487 59.02311 4.881124 5.894054       6.768800 
1 1 1 -52 14 5  o 32.87654 5.450124 136.5958       42.70535 174.9774       64.68501 106.9406       56.85817 36.91239 7.498986 28.84069 7.910792 8.071695       10.90025 
1 1 1 -52 14 6  o 55.11613 3.577076 370.1786       47.54036 395.5307       70.85151 349.4173       64.11636 56.81049 5.154876 53.42176 4.960762 3.388733       7.154153 
1 1 1 -52 14 7  o 17.67387 5.381976 -1.855822      41.32032 -20.72685      66.78673 9.847283       52.59482 17.63016 7.829869 17.71758 7.386190 -0.8742332E-01 10.76395 
1 1 1 -52 14 8  o 77.93890 3.084399 742.5030       58.08059 691.6005       81.37133 795.3711       82.92751 75.19508 4.472803 80.68272 4.248305 -5.487648      6.168797 
1 1 1 -52 14 9  o 69.13355 3.294021 585.1707       55.06956 606.8362       79.29874 564.9891       76.53502 70.36848 4.657853 67.89863 4.659045 2.469849       6.588042 
1 1 1 -52 14 10 o 137.4097 2.791597 2309.158       92.68610 2342.079       128.4251 2273.370       133.9023 138.4726 3.833396 136.3468 4.059202 2.125854       5.583193 
1 1 1 -52 14 11 o 99.99049 2.864336 1223.574       69.27500 1198.187       96.66553 1250.378       99.32801 98.92829 4.038767 101.0527 4.062763 -2.124413      5.728672 
1 1 1 -52 14 12 o 46.78874 4.348610 271.0128       48.93605 315.7528       72.62721 233.8108       66.22682 50.33957 5.963312 43.23792 6.330921 7.101658       8.697221 
1 1 1 -52 14 13 o 32.16706 5.818274 142.4674       47.58706 84.05709       71.08547 189.9001       64.05829 26.22060 9.132894 38.11352 7.211066 -11.89292      11.63655 
1 1 1 -52 14 14 o 119.3008 3.935739 1843.408       86.47321 1879.836       95.95335 1685.901       199.5218 123.9273 3.200300 114.6743 7.191540 9.252991       7.871478 
1 1 1 -52 14 15 o 40.94473 7.468923 194.1147       56.52906 172.8175       60.89609 326.8293       152.0153 35.98088 7.246061 45.90858 13.06269 -9.927708      14.93785 
1 1 1 -52 14 16 o 31.75722 7.881183 126.1508       59.13823 117.0401       63.97542 179.6550       155.0357 28.94924 8.545812 34.56519 13.24467 -5.615955      15.76237 
1 1 1 -52 14 17 o 23.00994 7.181497 12.95127       57.83641 -2.378392      62.98363 95.40750       146.0741 17.38651 7.668272 28.63337 12.14468 -11.24686      14.36299 
1 1 1 -52 14 18 o 19.67087 6.263258 9.115163       57.15787 39.79612       61.28696 -195.8358      158.4013 19.95106 8.108516 19.39068 9.548068 0.5603790      12.52652 
1 1 1 -52 16 1  o 110.8016 2.857823 1501.705       76.52811 1410.961       107.3480 1595.483       109.1282 107.3701 4.132454 114.2330 3.948599 -6.862869      5.715646 
1 1 1 -52 16 2  o 60.10333 3.575425 441.2933       51.51183 532.3868       76.06294 364.1202       70.01034 65.84779 4.774518 54.35886 5.323405 11.48893       7.150851 
1 1 1 -52 16 3  o 36.81486 5.253781 169.6675       46.18589 264.4059       69.81561 95.94130       61.58867 46.17677 6.249232 27.45294 8.447247 18.72383       10.50756 
1 1 1 -52 16 4  o 43.66156 4.781666 236.4435       48.42690 308.5023       73.31863 180.6797       64.49812 49.91864 6.070847 37.40448 7.389326 12.51416       9.563332 
1 1 1 -52 16 5  o 141.9363 2.824310 2459.620       96.93250 2573.180       139.3435 2353.140       134.9295 145.1169 3.968867 138.7558 4.019329 6.361053       5.648620 
1 1 1 -52 16 6  o 75.51695 3.132308 698.2419       57.18032 710.5980       82.85691 687.0063       79.01051 76.13946 4.497971 74.89445 4.360466 1.245003       6.264615 
1 1 1 -52 16 7  o 135.0184 2.862075 2209.248       92.98974 2551.130       138.7355 1930.365       125.3027 144.4433 3.969976 125.5936 4.123735 18.84966       5.724150 
1 1 1 -52 16 8  o 86.59120 3.052709 919.2892       63.89137 866.6299       89.68365 973.5579       91.04378 84.04800 4.410457 89.13441 4.221848 -5.086403      6.105418 
1 1 1 -52 16 9  o 56.22533 3.794156 390.3482       51.55798 415.0440       74.65195 367.8254       71.29203 57.93160 5.326272 54.51905 5.404934 3.412556       7.588313 
1 1 1 -52 16 10 o 100.4865 2.905246 1240.054       70.58517 1264.736       98.73447 1214.253       100.9473 101.5410 4.019064 99.43192 4.196301 2.109116       5.810493 
1 1 1 -52 16 11 o 52.51925 4.237958 345.8352       53.65146 311.0331       75.50983 381.3180       76.24476 49.76235 6.271918 55.27615 5.701247 -5.513805      8.475917 
1 1 1 -52 16 12 o 79.88776 3.226532 791.9999       61.99605 691.4873       87.25787 894.4609       88.09949 74.64568 4.831674 85.12982 4.277493 -10.48414      6.453063 
1 1 1 -52 16 13 o 21.99366 6.044628 40.07242       47.05001 76.57120       70.89333 11.34097       62.89918 25.17120 9.086204 18.81612 7.974397 6.355080       12.08926 
1 1 1 -52 16 14 o 70.26108 3.504426 620.0783       59.46012 583.5172       84.63036 655.7192       83.55850 68.12092 5.135035 72.40123 4.770264 -4.280312      7.008851 
1 1 1 -52 16 15 o 97.39088 3.050901 1186.097       71.88625 1184.545       101.4519 1187.663       101.8745 97.33153 4.308283 97.45023 4.320959 -0.1186981     6.101802 
1 1 1 -52 16 16 o 54.19647 5.013790 411.7283       60.68660 507.5852       82.39131 298.0487       89.72448 62.71929 5.429727 45.67365 8.430327 17.04564       10.02758 
1 1 1 -52 16 17 o 19.75450 6.759430 -55.47756      71.04151 -57.34494      77.68348 -45.93694      175.5903 15.98121 7.564576 23.52778 11.20432 -7.546571      13.51886 
1 1 1 -52 18 1  o 102.7481 2.936960 1297.850       72.97322 1300.697       101.7006 1294.828       104.7671 102.8909 4.085492 102.6054 4.220390 0.2854919      5.873920 
1 1 1 -52 18 2  o 81.25983 3.248296 810.7927       63.68723 899.2968       93.01505 732.6816       87.38321 85.44941 4.499268 77.07024 4.686396 8.379166       6.496593 
1 1 1 -52 18 3  o 50.12679 4.332938 313.3426       51.25480 411.0048       75.36857 229.3159       69.90936 57.55863 5.412246 42.69495 6.767940 14.86368       8.665876 
1 1 1 -52 18 4  o 114.9307 4.074649 1620.782       113.2996 1620.782       113.2996 0.000000       0.000000 114.9307 4.074649 ?        ?        ?              ?        
1 1 1 -52 18 5  o 133.4024 4.097513 2184.243       132.2471 0.000000       0.000000 2184.243       132.2471 ?        ?        133.4024 4.097513 ?              ?        
1 1 1 -52 18 6  o 83.51229 3.180768 857.5649       64.15930 929.8154       92.58279 790.8077       88.99352 86.92248 4.402464 80.10210 4.592108 6.820374       6.361537 
1 1 1 -52 18 7  o 58.97327 4.019275 442.1701       55.97816 346.4187       81.09672 529.3126       77.36520 52.52395 6.381806 65.42258 4.887825 -12.89864      8.038550 
1 1 1 -52 18 8  o 57.20660 4.147324 422.3297       54.64530 281.1865       77.81857 559.6329       76.75271 47.13520 6.823945 67.27801 4.715397 -20.14280      8.294648 
1 1 1 -52 18 9  o 67.47504 3.563721 564.4038       58.05870 617.1074       84.18524 516.6004       80.17619 70.50865 4.935046 64.44141 5.142544 6.067238       7.127442 
1 1 1 -52 18 10 o 46.65231 5.020225 289.2603       53.42281 219.3909       77.76564 351.7019       73.51588 40.40112 8.235298 52.90350 5.743736 -12.50237      10.04045 
1 1 1 -52 18 11 o 49.46562 4.578604 313.5634       54.45407 296.8795       80.11394 327.8907       74.24042 48.06739 6.888985 50.86385 6.032938 -2.796463      9.157207 
1 1 1 -52 18 12 f 29.78492 6.352599 124.8544       52.57641 70.40220       80.34464 165.6352       69.53074 24.95382 9.541094 34.61603 8.389851 -9.662216      12.70520 
1 1 1 -52 18 13 o 41.59147 5.835114 238.8555       56.49772 229.1234       76.68242 250.4115       83.55950 40.76149 8.061358 42.42146 8.438526 -1.659966      11.67023 
1 1 1 -52 18 14 o 33.13445 6.574365 158.5803       54.86864 129.4647       72.66664 197.1967       83.68708 29.77460 9.177867 36.49429 9.415723 -6.719685      13.14873 
1 1 1 -52 18 15 o 26.67938 6.790606 100.6233       57.73049 61.78918       80.27657 142.2194       83.08218 23.14180 9.324124 30.21695 9.874716 -7.075153      13.58121 
1 1 1 -52 18 16 o 36.35071 6.889878 211.0565       62.49417 160.5324       82.73557 278.1811       95.36387 31.10617 9.825684 41.59526 9.661139 -10.48909      13.77976 
1 1 1 -52 20 2  o 19.98508 5.789792 -16.20035      50.76933 81.74243       76.12099 -94.67696      68.13784 25.96673 9.408812 14.00344 6.749889 11.96329       11.57958 
1 1 1 -52 20 3  o 38.95327 5.881020 203.5427       53.81868 248.6731       79.31947 165.0410       73.26302 43.19287 7.880800 34.71367 8.731469 8.479210       11.76204 
1 1 1 -52 20 4  o 121.3782 2.989486 1820.690       87.78413 1847.144       124.5536 1794.579       123.7415 122.2646 4.210689 120.4917 4.244784 1.772850       5.978971 
1 1 1 -52 20 5  o 36.29514 5.826687 182.6404       51.66545 122.4191       77.40800 231.0200       69.38122 30.05352 9.505232 42.53677 6.741789 -12.48325      11.65337 
1 1 1 -52 20 6  o 62.18051 4.213826 497.5808       61.97451 397.3634       90.04052 587.8008       85.43140 55.78157 6.671829 68.57945 5.148980 -12.79788      8.427651 
1 1 1 -52 20 7  o 48.41531 5.109706 315.4922       55.72467 220.7131       80.29588 403.5517       77.39718 40.23904 8.513586 56.59158 5.652896 -16.35253      10.21941 
1 1 1 -52 20 8  o 59.40403 4.080997 446.6113       58.55177 479.5229       83.37399 414.5835       82.24693 61.64473 5.590263 57.16333 5.947025 4.481400       8.161995 
1 1 1 -52 20 9  o 23.29887 6.463796 54.18745       53.09600 63.65711       77.89948 45.97092       72.56244 24.22937 9.361186 22.36837 8.915764 1.861000       12.92759 
1 1 1 -52 20 10 o 74.20514 3.698488 696.0324       66.39665 697.3917       94.31762 694.6970       93.48600 74.26542 5.249330 74.14486 5.211506 0.1205597      7.396977 
1 1 1 -52 20 11 o 34.51403 5.946091 161.4815       56.34023 59.72821       77.32027 276.6612       82.26351 23.49907 9.254713 45.52899 7.468218 -22.02992      11.89218 
1 1 1 -52 20 12 o 21.73407 6.379445 39.04022       55.29055 48.81303       76.88950 28.57561       79.56439 22.34225 9.081478 21.12590 8.961920 1.216349       12.75889 
1 1 1 -52 20 13 o 25.49375 6.435627 81.32491       58.55296 154.9568       77.90271 -14.28361      88.77036 31.74240 9.444879 19.24510 8.744337 12.49730       12.87125 
1 1 1 -52 20 14 o 30.44334 7.082415 153.1955       60.41951 157.5943       81.68243 147.8810       89.78307 31.08914 9.755013 29.79753 10.27045 1.291601       14.16483 
1 1 1 -52 22 8  o 40.36853 8.409797 287.6758       93.06516 334.8007       110.4119 172.0405       172.9561 47.50090 9.927300 33.23617 13.57746 14.26473       16.81959 
1 1 1 -52 22 9  o 43.25323 8.906972 319.7390       94.27832 318.1440       110.2034 324.0928       182.0702 45.64713 10.23189 40.85935 14.58235 4.787777       17.81394 
1 1 1 -52 22 10 o 31.86753 8.623583 50.27011       92.24255 -67.09102      106.1863 411.1838       186.2121 18.78109 8.875932 44.95398 14.78792 -26.17289      17.24717 
1 1 1 -52 22 11 o 20.91678 7.104306 -57.48737      88.45589 -46.79358      99.99133 -95.97858      189.7043 18.67508 8.759134 23.15848 11.18759 -4.483406      14.20861 
1 1 1 -52 22 12 o 29.24499 8.661588 155.6331       98.24918 157.1684       113.3089 150.9816       197.2283 29.51411 11.31963 28.97587 13.11329 0.5382404      17.32318 
1 1 1 -51 1  1  o 177.7198 3.356150 3782.589       123.6691 3737.676       141.6895 3926.234       253.3957 175.6578 3.334019 179.7818 5.825743 -4.123978      6.712300 
1 1 1 -51 1  2  o 113.1871 3.038653 1564.274       71.52419 1575.133       82.44299 1531.232       143.8153 114.0500 2.987830 112.3242 5.292119 1.725891       6.077306 
1 1 1 -51 1  3  o 68.63739 3.708977 618.4348       51.56687 665.2037       59.93037 485.0685       101.2025 74.10817 3.342555 63.16661 6.622188 10.94156       7.417954 
1 1 1 -51 1  4  o 319.2297 4.939521 12339.77       328.2542 12286.58       377.5571 12504.46       664.3738 318.2684 4.903281 320.1910 8.576322 -1.922577      9.879042 
1 1 1 -51 1  5  o 19.78682 5.473618 29.46588       37.85959 51.99277       42.70862 -53.18263      81.80547 21.27751 7.086075 18.29612 8.344430 2.981388       10.94724 
1 1 1 -51 1  6  o 212.1569 3.629046 5549.592       164.2283 5652.140       192.3946 5274.242       315.2620 215.9856 3.681847 208.3282 6.254910 7.657333       7.258092 
1 1 1 -51 1  7  o 251.3459 4.110372 7531.711       212.1804 7408.178       241.8024 7945.271       442.4239 247.2184 4.042757 255.4733 7.157985 -8.254929      8.220743 
1 1 1 -51 1  8  o 80.80359 3.224564 824.4337       54.18821 858.5327       63.05669 728.1379       105.9654 84.19027 3.095758 77.41691 5.657520 6.773361       6.449128 
1 1 1 -51 1  9  o 103.5225 2.493472 1299.352       62.41052 1243.486       88.16290 1355.470       88.36105 101.2872 3.597734 105.7579 3.453391 -4.470695      4.986943 
1 1 1 -51 1  10 o 149.8134 2.639348 2712.962       95.50694 2903.572       139.7923 2546.109       130.7910 154.7320 3.734228 144.8949 3.730974 9.837036       5.278696 
1 1 1 -51 1  11 o 38.71976 3.990554 182.4505       37.33620 195.4589       53.54388 170.1395       52.08890 40.06758 5.523501 37.37193 5.760993 2.695652       7.981109 
1 1 1 -51 1  12 o 127.9688 2.529216 1979.866       78.14563 2154.344       114.4466 1827.463       106.9619 133.2335 3.550482 122.7041 3.603028 10.52941       5.058432 
1 1 1 -51 1  13 o 67.07505 2.779494 546.4532       44.94090 484.9455       62.37413 612.8541       64.80775 63.14061 4.083132 71.00949 3.772318 -7.868885      5.558988 
1 1 1 -51 1  14 o 59.56460 2.994608 432.8644       43.10766 422.6317       61.96740 442.4599       60.00675 58.86928 4.350831 60.25992 4.115942 -1.390640      5.989216 
1 1 1 -51 1  15 f 74.91891 2.795200 683.9834       50.62642 647.9963       70.45072 722.4108       72.80020 72.87653 3.995724 76.96130 3.909830 -4.084770      5.590401 
1 1 1 -51 1  16 o 81.76101 2.740654 817.2900       54.15344 860.8007       76.56952 773.7452       76.59956 83.96165 3.769404 79.56036 3.979488 4.401291       5.481307 
1 1 1 -51 1  17 o 42.44007 4.230419 224.3504       43.12541 260.2913       62.11639 190.9063       59.91997 45.79657 5.606231 39.08358 6.336874 6.712990       8.460838 
1 1 1 -51 1  18 o 60.22931 3.385437 449.2777       49.29689 452.1029       71.15099 446.6695       68.36509 60.38681 4.870085 60.07180 4.703936 0.3150063      6.770875 
1 1 1 -51 1  19 o 32.03261 5.738272 138.9371       44.94350 170.3200       65.37603 110.8148       61.88682 35.50105 7.822585 28.56416 8.397514 6.936890       11.47654 
1 1 1 -51 1  20 o 32.56708 7.510745 132.4801       77.31956 269.8394       115.6855 21.58239       103.9468 42.01873 11.18281 23.11542 10.02945 18.90331       15.02149 
1 1 1 -51 3  1  o 99.36673 3.017845 1192.705       63.15085 1188.067       73.04889 1206.425       125.6406 99.04298 3.048510 99.69048 5.209237 -0.6474915     6.035690 
1 1 1 -51 3  2  f 146.0809 3.141423 2645.497       96.52140 2707.919       112.3804 2469.958       188.4541 149.5291 3.106435 142.6326 5.461156 6.896561       6.282847 
1 1 1 -51 3  3  o 142.4723 3.089620 2454.084       91.76482 2447.372       105.6407 2474.718       185.2244 142.1579 3.071551 142.7867 5.361770 -0.6287537     6.179240 
1 1 1 -51 3  4  o 29.87168 5.819143 120.2073       40.76580 135.0736       46.38848 69.79179       85.42604 32.82975 6.063742 26.91362 9.933818 5.916126       11.63829 
1 1 1 -51 3  5  o 121.1736 3.016088 1780.086       75.72326 1780.148       86.97841 1779.893       153.9108 121.2454 2.965130 121.1018 5.253109 0.1436768      6.032176 
1 1 1 -51 3  6  o 44.72510 4.770973 253.9395       42.96417 260.7584       49.81820 234.1463       84.87678 46.37234 4.440448 43.07787 8.445778 3.294472       9.541946 
1 1 1 -51 3  7  o 113.5434 2.963295 1498.650       69.80920 1441.763       79.53706 1689.471       145.6722 109.1076 3.013092 117.9793 5.103504 -8.871742      5.926591 
1 1 1 -51 3  8  o 77.59600 3.189311 693.7953       51.53048 661.1777       58.70360 803.3314       107.5764 73.87366 3.284527 81.31834 5.467970 -7.444687      6.378622 
1 1 1 -51 3  9  o 133.8205 3.028188 2177.132       84.35378 2181.360       97.15781 2164.188       170.0030 134.1870 2.992712 133.4539 5.265297 0.7330627      6.056375 
1 1 1 -51 3  10 o 151.3742 3.096842 2799.374       98.08868 2816.935       113.3936 2747.174       195.5037 152.4625 3.074137 150.2859 5.376933 2.176590       6.193685 
1 1 1 -51 3  11 o 87.08326 3.161324 967.1337       56.35966 1011.884       65.21478 835.0981       112.0201 91.37020 2.950116 82.79632 5.592198 8.573883       6.322648 
1 1 1 -51 3  12 o 108.7765 3.019790 1472.010       67.70245 1504.151       78.03566 1374.182       136.1423 111.3804 2.895891 106.1726 5.300033 5.207779       6.039581 
1 1 1 -51 3  13 o 28.64714 5.278095 103.9719       36.94177 118.9873       54.71904 91.39655       50.07624 30.46983 7.478380 26.82446 7.450301 3.645370       10.55619 
1 1 1 -51 3  14 o 21.52160 5.327446 51.40780       34.43010 41.30280       51.00742 59.86546       46.66488 20.60768 7.662156 22.43552 7.403924 -1.827835      10.65489 
1 1 1 -51 3  15 o 14.54343 4.639153 -37.66523      36.33342 -77.82817      51.19219 3.102813       51.57639 12.10867 5.840142 16.97818 7.209694 -4.869507      9.278305 
1 1 1 -51 3  16 o 42.05804 4.179808 219.3962       42.47154 209.5564       60.65128 228.8639       59.49311 41.09960 6.099582 43.01647 5.716492 -1.916874      8.359616 
1 1 1 -51 3  17 o 63.18091 3.187250 492.1043       48.43685 427.3503       67.81661 559.5361       69.20457 58.86811 4.761609 67.49371 4.238081 -8.625599      6.374499 
1 1 1 -51 3  18 o 62.16939 3.328413 479.1219       49.32183 591.1413       71.59068 377.9167       68.04733 69.22048 4.274837 55.11830 5.102852 14.10218       6.656826 
1 1 1 -51 3  19 o 22.88541 5.715536 56.42537       41.95453 99.34447       60.75846 17.31119       58.00276 27.15844 8.395677 18.61238 7.757707 8.546062       11.43107 
1 1 1 -51 3  20 o 18.66207 5.871660 -7.776703      51.90832 -11.05527      65.95634 -2.441404      84.13839 17.37753 7.745489 19.94661 8.826832 -2.569077      11.74332 
1 1 1 -51 5  1  o 241.2655 4.005191 7074.955       201.7852 7075.936       232.6888 7071.981       405.2083 241.5799 3.981184 240.9510 6.950998 0.6288300      8.010382 
1 1 1 -51 5  2  o 118.2525 3.440318 1798.057       92.01662 2076.670       117.4447 1355.146       148.0781 130.9019 3.708389 105.6032 5.795775 25.29870       6.880637 
1 1 1 -51 5  3  o 263.6455 4.277429 8381.237       233.1953 8319.669       267.1636 8578.228       477.8811 261.9489 4.215590 265.3422 7.444084 -3.393311      8.554857 
1 1 1 -51 5  4  o 80.90789 3.347326 806.1384       54.61861 816.1615       62.20438 772.3974       114.1294 82.08781 3.132132 79.72797 5.916765 2.359833       6.694652 
1 1 1 -51 5  5  o 17.58437 5.052681 2.471526       38.56697 45.84265       43.57605 -154.3129      82.85123 20.54197 7.150838 14.62677 7.140299 5.915193       10.10536 
1 1 1 -51 5  6  o 178.9301 3.365992 3930.390       126.2805 3977.526       146.3459 3792.980       249.8673 181.1939 3.338371 176.6663 5.845928 4.527634       6.731983 
1 1 1 -51 5  7  o 60.60550 4.206245 499.8647       48.27318 540.5401       54.90460 361.3326       101.3253 66.79053 3.397751 54.42046 7.695796 12.37007       8.412490 
1 1 1 -51 5  8  o 94.52061 3.122052 1038.384       59.47638 1003.648       66.98032 1167.876       129.3231 91.01885 3.041680 98.02238 5.453166 -7.003525      6.244104 
1 1 1 -51 5  9  o 165.7127 3.253111 3346.929       112.0005 3358.579       128.9403 3311.124       226.0471 166.4683 3.201509 164.9570 5.664032 1.511307       6.506222 
1 1 1 -51 5  10 o 142.9855 3.098369 2539.301       92.84396 2598.683       107.9065 2370.018       182.1899 146.4258 3.045984 139.5451 5.396439 6.880646       6.196739 
1 1 1 -51 5  11 o 115.1503 3.006147 1627.410       71.39893 1642.602       82.04732 1580.012       144.9226 116.4052 2.913330 113.8954 5.259295 2.509773       6.012294 
1 1 1 -51 5  12 o 81.40390 3.313637 808.2310       53.90408 809.1391       61.00498 804.9971       115.1206 81.66445 3.087663 81.14334 5.864051 0.5211105      6.627274 
1 1 1 -51 5  13 o 189.0269 3.480518 4348.093       136.3990 4333.504       156.6566 4393.813       277.3261 188.8338 3.428993 189.2200 6.057889 -0.3862457     6.961035 
1 1 1 -51 5  14 o 24.91977 6.350210 63.15203       42.21488 60.14272       47.49773 74.46758       92.10378 22.50289 7.471800 27.33664 10.27000 -4.833746      12.70042 
1 1 1 -51 5  15 o 70.20804 3.588263 566.2375       51.08783 536.0430       57.47792 679.8334       111.4855 66.31097 3.582725 74.10511 6.218247 -7.794144      7.176526 
1 1 1 -51 5  16 o 49.04873 3.803503 297.5165       45.02859 273.0746       63.41488 322.3716       63.94858 46.97598 5.579728 51.12148 5.170413 -4.145496      7.607005 
1 1 1 -51 5  17 o 19.60976 5.129191 4.009456       40.40604 -79.93040      56.90832 89.34697       57.38014 12.91825 6.212098 26.30128 8.163592 -13.38302      10.25838 
1 1 1 -51 5  18 f 63.65145 3.417244 507.0519       52.07653 585.0291       73.31815 427.6584       73.98100 68.76865 4.406754 58.53426 5.224055 10.23439       6.834488 
1 1 1 -51 5  19 o 34.25789 5.475263 161.4955       44.70382 197.1272       62.51923 124.2185       63.94643 38.52573 6.963809 29.99004 8.451000 8.535690       10.95053 
1 1 1 -51 5  20 o 30.50716 11.80556 133.6109       124.0466 133.6109       124.0466 0.000000       0.000000 30.50716 11.80556 ?        ?        ?              ?        
1 1 1 -51 7  1  o 52.89547 5.277060 383.9547       49.65072 408.2900       55.74412 290.5414       109.2157 58.01689 3.971389 47.77406 9.778420 10.24283       10.55412 
1 1 1 -51 7  2  o 33.32040 6.276478 120.4553       43.44955 105.7759       48.44342 180.8447       98.25626 28.88532 7.004266 37.75548 10.41715 -8.870159      12.55296 
1 1 1 -51 7  3  o 302.0369 4.713183 11276.20       303.2998 11468.13       355.0406 10757.88       583.4565 307.3625 4.774466 296.7113 8.127784 10.65121       9.426367 
1 1 1 -51 7  4  o 163.1155 3.299860 3211.699       110.5048 3196.233       126.2554 3262.344       228.4690 162.4216 3.212950 163.8093 5.764828 -1.387665      6.599719 
1 1 1 -51 7  5  o 225.9781 3.830501 6308.838       183.6623 6425.833       214.5605 5988.103       355.2546 230.2146 3.852252 221.7416 6.622017 8.473038       7.661002 
1 1 1 -51 7  6  o 64.18706 4.293950 554.3040       50.53619 588.1288       56.59333 421.1779       112.2740 69.66347 3.357824 58.71064 7.904242 10.95282       8.587900 
1 1 1 -51 7  7  o 68.71672 3.875837 594.7583       52.12746 610.1936       58.92563 539.2029       111.7917 70.94978 3.432819 66.48367 6.950122 4.466103       7.751673 
1 1 1 -51 7  8  o 102.9755 3.108385 1242.940       64.29300 1209.311       72.40887 1368.233       139.7656 99.89909 2.995904 106.0520 5.447274 -6.152908      6.216771 
1 1 1 -51 7  9  o 124.3009 3.119403 1911.036       79.49223 1942.548       91.26907 1812.017       161.7853 126.6017 2.979763 122.0001 5.481215 4.601646       6.238807 
1 1 1 -51 7  10 o 71.15257 3.588743 608.2711       50.47139 602.4562       56.73269 630.3391       110.5200 70.47531 3.327316 71.82982 6.359660 -1.354507      7.177486 
1 1 1 -51 7  11 o 64.30497 4.246934 588.3881       49.94234 648.5187       56.67763 379.5360       105.6290 73.10722 3.204418 55.50273 7.866226 17.60449       8.493869 
1 1 1 -51 7  12 o 117.1446 3.155120 1705.131       75.22994 1734.434       86.14107 1610.946       154.4377 119.5449 2.978359 114.7443 5.563138 4.800537       6.310240 
1 1 1 -51 7  13 o 66.70573 3.864259 549.7366       50.85732 552.8353       57.37213 538.3701       109.8831 67.41152 3.517746 65.99995 6.881528 1.411575       7.728517 
1 1 1 -51 7  14 o 108.3580 3.349526 1488.648       71.37194 1527.867       80.86339 1350.387       151.8293 112.1066 2.981388 104.6094 5.999052 7.497200       6.699052 
1 1 1 -51 7  15 o 50.74088 4.956735 294.4883       48.00860 278.6620       52.88739 368.5901       114.4401 47.66030 4.586623 53.82146 8.788616 -6.161160      9.913470 
1 1 1 -51 7  16 o 49.58271 5.503696 303.1703       51.11172 294.4057       56.91718 339.6788       116.1651 48.86957 4.813961 50.29585 9.898912 -1.426273      11.00739 
1 1 1 -51 7  17 o 46.64325 6.291863 326.0782       52.35352 347.9800       58.02700 230.2201       121.3961 53.07991 4.518535 40.20659 11.74449 12.87332       12.58373 
1 1 1 -51 7  18 o 54.22652 3.749681 368.5957       49.15434 369.5472       70.96582 367.7182       68.14918 54.25636 5.406251 54.19669 5.197393 0.5967712E-01  7.499363 
1 1 1 -51 7  19 o 53.13106 4.023743 359.9561       51.70517 351.3116       73.34325 368.4971       72.90305 52.45398 5.779355 53.80813 5.600097 -1.354145      8.047485 
1 1 1 -51 7  20 o 25.35420 10.77286 60.89233       115.2766 60.89233       115.2766 0.000000       0.000000 25.35420 10.77286 ?        ?        ?              ?        
1 1 1 -51 9  1  o 173.5902 3.402976 3700.907       122.4434 3737.325       141.0476 3589.530       246.6673 175.5640 3.320687 171.6163 5.940878 3.947693       6.805953 
1 1 1 -51 9  2  o 127.4556 3.118739 1923.995       80.10204 1885.953       90.48080 2061.868       172.2501 124.7486 2.997910 130.1626 5.469795 -5.414032      6.237477 
1 1 1 -51 9  3  o 91.97209 3.439278 1005.563       61.62723 990.6139       68.82471 1066.032       138.4208 90.40681 3.146596 93.53738 6.116654 -3.130569      6.878555 
1 1 1 -51 9  4  o 140.1262 3.280290 2456.640       93.81385 2522.539       107.8053 2251.041       190.4189 144.2738 3.088518 135.9786 5.788115 8.295227       6.560581 
1 1 1 -51 9  5  o 279.4514 4.488738 9604.435       263.5822 9692.450       305.6691 9349.197       520.5258 282.5151 4.472059 276.3878 7.784328 6.127319       8.977476 
1 1 1 -51 9  6  o 68.23530 4.273026 622.1995       53.25175 656.1124       59.45771 484.7115       119.7175 73.56351 3.340746 62.90709 7.866029 10.65641       8.546051 
1 1 1 -51 9  7  o 159.6877 3.191419 3091.433       123.2985 3091.433       123.2985 0.000000       0.000000 159.6877 3.191419 ?        ?        ?              ?        
1 1 1 -51 9  8  o 151.6206 3.460733 2818.372       118.3320 2858.261       143.9591 2735.277       207.7780 153.4448 3.877793 149.7963 5.733186 3.648499       6.921466 
1 1 1 -51 9  9  o 82.45090 3.408911 777.2809       55.21447 744.1970       61.47230 915.4075       125.6059 78.32496 3.243971 86.57683 5.996611 -8.251869      6.817822 
1 1 1 -51 9  10 o 58.48335 4.535478 425.8802       48.84516 429.7265       53.96526 408.4474       114.8889 59.47086 3.750661 57.49584 8.259223 1.975018       9.070955 
1 1 1 -51 9  11 o 82.07167 3.624113 826.4656       56.97805 828.8093       63.57281 816.8947       128.4678 82.61613 3.180565 81.52721 6.513125 1.088913       7.248227 
1 1 1 -51 9  12 o 44.11990 6.009500 281.0457       47.14637 299.8063       52.08503 195.9548       110.9257 49.57120 4.342913 38.66859 11.20694 10.90260       12.01900 
1 1 1 -51 9  13 o 62.56762 4.872180 559.9112       53.82982 606.1105       60.23500 376.6805       119.9582 70.54592 3.529187 54.58931 9.082808 15.95661       9.744361 
1 1 1 -51 9  14 o 87.19002 3.947545 1007.193       63.10242 1049.828       70.32599 831.0530       142.9426 92.86536 3.130111 81.51467 7.248093 11.35069       7.895090 
1 1 1 -51 9  15 o 22.02512 6.658598 0.9108501      44.37697 -10.08204      47.68941 71.89768       121.1867 15.22791 6.696071 28.82234 11.51131 -13.59443      13.31720 
1 1 1 -51 9  16 f 50.05917 5.754087 268.9387       50.16424 243.9025       54.07038 423.6764       134.4230 44.36953 5.037004 55.74881 10.34730 -11.37927      11.50817 
1 1 1 -51 9  17 o 32.35095 6.337151 163.7573       50.75850 189.5612       55.11327 19.55979       130.2843 38.80334 5.870630 25.89856 11.23270 12.90478       12.67430 
1 1 1 -51 9  18 o 18.94526 6.037865 -5.935554      50.48062 15.11688       55.43048 -108.2689      122.2098 18.05849 7.560097 19.83202 9.416379 -1.773535      12.07573 
1 1 1 -51 9  19 o 49.55617 6.542812 383.3941       57.82297 404.8124       64.29604 292.8019       132.2323 56.65262 4.690962 42.45972 12.21591 14.19290       13.08562 
1 1 1 -51 11 1  o 179.3683 3.525486 3999.824       130.9505 4079.061       151.2032 3762.046       261.9293 183.3290 3.409003 175.4076 6.172106 7.921432       7.050971 
1 1 1 -51 11 2  o 169.1734 3.441422 3521.048       118.7626 3554.188       135.8251 3413.444       244.7485 171.1676 3.279866 167.1792 6.051117 3.988388       6.882844 
1 1 1 -51 11 3  o 140.3081 3.347254 2333.050       92.31970 2290.259       103.3469 2502.082       205.4001 137.4293 3.108250 143.1870 5.929183 -5.757721      6.694508 
1 1 1 -51 11 4  o 84.79586 3.614214 878.2325       59.63869 880.1752       66.86327 870.6722       131.9049 85.18884 3.244162 84.40288 6.459535 0.7859650      7.228429 
1 1 1 -51 11 5  o 63.96933 4.443347 467.1660       51.73728 451.3190       56.39762 551.3385       129.9789 60.96874 3.823414 66.96992 8.022147 -6.001179      8.886694 
1 1 1 -51 11 6  o 229.6582 3.970162 6352.113       185.8960 6283.422       211.5044 6585.366       389.7482 227.4667 3.843256 231.8498 6.948246 -4.383102      7.940323 
1 1 1 -51 11 7  o 166.7751 3.605052 3350.420       133.5509 3292.254       159.2316 3488.400       245.2452 164.5980 3.998547 168.9521 5.999769 -4.354111      7.210104 
1 1 1 -51 11 8  o 148.6041 3.333255 2582.277       97.65379 2508.011       109.1840 2879.239       218.3306 143.7655 3.139077 153.4427 5.881202 -9.677216      6.666509 
1 1 1 -51 11 9  o 28.35535 6.749444 28.64171       42.92960 1.553959       45.93463 215.5860       120.6729 16.02049 6.803526 40.69022 11.65899 -24.66973      13.49889 
1 1 1 -51 11 10 o 117.2848 3.380650 1687.466       76.45135 1692.621       85.48283 1666.865       170.8896 118.0696 2.992530 116.5000 6.062997 1.569595       6.761299 
1 1 1 -51 11 11 o 96.95128 3.657800 1155.865       67.14616 1158.449       74.64820 1144.914       153.6814 97.62398 3.160534 96.27857 6.597653 1.345406       7.315600 
1 1 1 -51 11 12 o 93.79250 3.855254 1096.504       66.78184 1104.863       73.83052 1058.894       156.6133 95.29452 3.202328 92.29048 7.014059 3.004036       7.710507 
1 1 1 -51 11 13 o 63.42136 4.710082 475.7372       53.58070 463.8919       58.35853 539.3218       135.2091 61.61810 3.914657 65.22461 8.568253 -3.606510      9.420164 
1 1 1 -51 11 14 o 66.94998 4.856933 559.0125       55.44983 557.8691       60.05929 565.6157       144.3268 67.55848 3.674498 66.34148 8.992066 1.217003       9.713866 
1 1 1 -51 11 15 o 84.74638 4.402456 943.7809       65.99289 966.9167       72.58201 833.4325       158.5149 88.93408 3.373327 80.55867 8.133089 8.375412       8.804912 
1 1 1 -51 11 16 o 28.78755 6.771730 115.0323       52.13855 133.1568       56.94148 20.98751       129.7065 31.58061 7.554131 25.99449 11.24102 5.586117       13.54346 
1 1 1 -51 11 17 o 68.01225 4.881403 575.9316       60.57315 564.9284       66.47812 629.7442       147.0146 67.55804 4.067236 68.46646 8.875244 -0.9084244     9.762806 
1 1 1 -51 11 18 o 33.31232 7.292404 148.0898       54.35373 138.5277       59.99169 191.9096       128.4252 31.55775 7.881066 35.06690 12.27214 -3.509153      14.58481 
1 1 1 -51 11 19 o 24.67143 6.622024 83.27821       52.79637 103.3524       57.22981 -31.43367      136.8069 26.81015 8.122133 22.53271 10.46115 4.277439       13.24405 
1 1 1 -51 13 1  o 100.0043 3.820957 1230.705       68.38870 1234.113       74.87786 1213.563       167.9466 100.8149 3.069917 99.19368 6.998176 1.621178       7.641914 
1 1 1 -51 13 2  o 119.0142 3.479077 1765.061       80.36253 1790.590       90.31973 1668.055       176.0652 121.4492 3.073873 116.5793 6.242372 4.869827       6.958153 
1 1 1 -51 13 3  o 175.9061 3.564818 3714.839       123.8907 3669.750       139.1739 3886.972       271.9300 173.8311 3.309238 177.9810 6.315113 -4.149872      7.129636 
1 1 1 -51 13 4  o 34.17069 4.873997 144.6969       40.50643 247.7208       60.73038 62.13466       54.36605 45.00460 5.577593 23.33679 7.994614 21.66781       9.747994 
1 1 1 -51 13 5  o 73.62572 2.918092 659.2308       51.87137 667.8676       76.05940 651.7210       70.92393 74.06316 4.244713 73.18829 4.005427 0.8748627      5.836184 
1 1 1 -51 13 6  o 130.9138 2.685566 2078.087       84.92318 1968.873       116.1903 2203.345       124.4319 127.2367 3.774462 134.5909 3.821322 -7.354256      5.371133 
1 1 1 -51 13 7  o 24.04437 5.280656 62.18576       41.50623 -27.34385      64.98893 123.8616       53.94033 17.02639 7.631408 31.06236 7.300887 -14.03597      10.56131 
1 1 1 -51 13 8  o 119.3732 3.842448 1734.962       110.9730 1734.962       110.9730 0.000000       0.000000 119.3732 3.842448 ?        ?        ?              ?        
1 1 1 -51 13 10 o 76.55241 3.008019 717.5748       55.53687 655.5002       78.78462 778.8875       78.29961 73.21906 4.447490 79.88575 4.051240 -6.666687      6.016038 
1 1 1 -51 13 11 o 78.72907 2.950799 757.1894       56.15148 771.1403       81.49840 744.5820       77.47467 79.40495 4.242279 78.05319 4.102672 1.351761       5.901597 
1 1 1 -51 13 12 o 21.39291 6.571826 16.94081       46.92187 26.06430       50.10024 -48.19750      133.8682 18.77443 7.431931 24.01139 10.84075 -5.236965      13.14365 
1 1 1 -51 13 13 o 109.7022 3.713785 1487.980       75.91484 1487.886       83.99648 1488.400       177.3775 110.4629 3.142985 108.9414 6.729818 1.521538       7.427571 
1 1 1 -51 13 14 o 99.84352 4.184350 1336.697       75.88228 1391.532       84.40398 1105.532       173.2974 106.7061 3.269426 92.98098 7.703635 13.72507       8.368700 
1 1 1 -51 13 15 o 98.76559 4.432139 1324.694       86.81681 1410.817       100.0628 1062.463       174.6039 107.0763 3.862573 90.45489 7.978468 16.62142       8.864278 
1 1 1 -51 13 16 o 34.15339 7.078923 174.4342       56.49845 187.5217       61.98528 110.1725       137.3520 37.57318 7.078477 30.73360 12.26131 6.839581       14.15785 
1 1 1 -51 13 17 o 36.85538 6.372006 242.9632       57.82920 286.8764       63.71333 37.62046       137.7756 47.43698 5.551507 26.27379 11.47129 21.16319       12.74401 
1 1 1 -51 13 18 o 20.54903 6.746543 -87.56636      52.98057 -121.7307      57.03503 127.4242       143.0754 11.20404 5.555676 29.89403 12.29625 -18.68999      13.49309 
1 1 1 -51 13 19 o 41.19511 8.478767 254.7768       81.68747 254.7768       81.68747 0.000000       0.000000 41.19511 8.478767 ?        ?        ?              ?        
1 1 1 -51 15 1  o 75.90605 3.020784 703.9749       55.47075 716.1249       78.66908 691.9609       78.22776 76.56181 4.247071 75.25030 4.296852 1.311516       6.041568 
1 1 1 -51 15 2  o 98.64606 2.848883 1187.560       67.95821 1145.355       96.14108 1229.706       96.07379 96.87859 4.101842 100.4135 3.954672 -3.534927      5.697766 
1 1 1 -51 15 3  o 51.16631 3.825120 321.4702       47.25463 320.3018       68.98618 322.5030       64.86074 51.05398 5.585090 51.27863 5.228092 -0.2246437     7.650240 
1 1 1 -51 15 4  o 68.99490 3.188819 581.5849       53.22159 594.5104       75.93490 569.1045       74.61582 69.74972 4.499836 68.24009 4.519486 1.509628       6.377639 
1 1 1 -51 15 5  o 58.97534 3.486225 426.5590       49.64682 413.7615       71.79271 438.2878       68.72982 58.10002 5.107422 59.85067 4.746505 -1.750645      6.972450 
1 1 1 -51 15 6  o 113.6027 2.757015 1574.133       75.71966 1648.677       107.3494 1500.323       106.8201 116.2993 3.815224 110.9061 3.981030 5.393219       5.514031 
1 1 1 -51 15 7  o 104.4447 2.821650 1330.566       71.28218 1369.411       102.0654 1293.577       99.59644 105.9340 3.982362 102.9555 3.998454 2.978539       5.643301 
1 1 1 -51 15 8  o 21.02676 5.509893 25.68213       43.34980 -45.71021      63.87125 86.65516       59.02670 15.74126 7.251134 26.31227 8.297997 -10.57102      11.01979 
1 1 1 -51 15 9  o 55.28835 3.820799 375.2231       50.77882 438.0834       74.17589 319.7826       69.66077 59.67837 5.137401 50.89832 5.656953 8.780056       7.641597 
1 1 1 -51 15 10 o 99.97464 4.025962 1222.818       97.37820 1222.818       97.37820 0.000000       0.000000 99.97464 4.025962 ?        ?        ?              ?        
1 1 1 -51 15 11 o 31.09159 5.994734 127.1814       46.38149 140.2932       67.19920 115.2521       64.09735 32.55152 8.456417 29.63166 8.499196 2.919865       11.98947 
1 1 1 -51 15 12 o 32.54836 5.916551 141.0040       46.79799 145.1883       68.07324 137.2543       64.44074 32.97963 8.483211 32.11710 8.249693 0.8625259      11.83310 
1 1 1 -51 15 13 o 91.97559 2.933767 1041.681       65.23319 988.3259       91.59710 1096.594       92.92455 89.55476 4.227569 94.39642 4.068859 -4.841667      5.867534 
1 1 1 -51 15 14 o 61.41360 3.646875 461.4503       53.58872 541.9290       83.64715 405.4238       69.79230 65.82547 5.252365 57.00174 5.060776 8.823727       7.293750 
1 1 1 -51 15 15 o 23.42789 6.202764 46.99515       50.55966 111.0142       76.44807 -2.776531      67.40668 28.56849 9.478891 18.28728 8.002982 10.28122       12.40553 
1 1 1 -51 15 16 o 18.11659 5.669373 -7.758633      49.57405 -30.54032      73.77040 11.00104       66.94247 17.29626 7.902229 18.93692 8.131539 -1.640661      11.33875 
1 1 1 -51 15 17 o 30.28376 7.940711 107.6133       58.32417 88.47435       62.89100 225.2231       155.9017 25.12827 8.598649 35.43924 13.35226 -10.31097      15.88142 
1 1 1 -51 15 18 o 27.49587 7.172282 124.3341       61.14440 140.8663       65.67705 16.81142       167.4935 30.30078 8.573729 24.69096 11.50033 5.609814       14.34456 
1 1 1 -51 17 1  o 24.17261 5.765496 59.67974       45.83523 -10.30195      67.90562 118.2473       62.12149 18.31470 8.023312 30.03053 8.281924 -11.71582      11.53099 
1 1 1 -51 17 2  o 26.98023 5.966534 87.79857       44.17830 126.2634       66.57904 57.54013       59.05126 31.01526 8.582261 22.94519 8.291133 8.070072       11.93307 
1 1 1 -51 17 3  o 100.7772 2.888357 1236.809       70.19394 1385.750       102.9104 1107.228       95.98905 106.4489 3.995911 95.10555 4.171704 11.34338       5.776713 
1 1 1 -51 17 4  o 111.9313 2.809617 1530.784       76.04134 1605.833       108.9850 1459.589       106.1485 114.6156 3.930254 109.2469 4.016079 5.368690       5.619234 
1 1 1 -51 17 5  o 63.55259 3.568641 495.5431       54.48015 581.7219       79.44538 419.0401       74.85270 68.81010 4.772150 58.29507 5.307296 10.51503       7.137283 
1 1 1 -51 17 6  o 63.71348 3.481148 500.6286       53.41339 444.3855       75.28838 557.6236       75.78999 60.04399 5.182700 67.38297 4.648999 -7.338970      6.962296 
1 1 1 -51 17 7  o 71.19508 3.359713 623.0963       57.81890 629.4397       83.72176 617.3123       79.94547 71.51979 4.838490 70.87038 4.662585 0.6494141      6.719426 
1 1 1 -51 17 8  o 78.62138 3.260147 760.0668       61.65804 656.7914       85.68176 870.9884       88.79691 73.01412 4.850419 84.22864 4.357484 -11.21452      6.520293 
1 1 1 -51 17 9  o 97.97821 2.987470 1170.747       70.48438 1026.106       95.71017 1342.149       104.1886 91.37473 4.329419 104.5817 4.117772 -13.20695      5.974941 
1 1 1 -51 17 10 o 40.45617 5.391165 216.9525       50.74707 177.7383       75.71893 248.9297       68.37590 36.38404 8.716360 44.52829 6.346944 -8.144257      10.78233 
1 1 1 -51 17 11 o 18.95352 5.758201 3.796678       47.47555 2.473184       69.07508 4.981635       65.35998 19.10270 8.232057 18.80434 8.053618 0.2983627      11.51640 
1 1 1 -51 17 12 o 37.20383 5.711925 186.5406       49.76247 183.0493       73.97620 189.4261       67.25282 36.70137 8.498593 37.70630 7.634019 -1.004925      11.42385 
1 1 1 -51 17 13 o 28.15771 6.163333 96.06151       48.40402 165.3483       75.90376 48.57324       62.83929 34.45909 9.004699 21.85634 8.417964 12.60275       12.32667 
1 1 1 -51 17 14 o 79.58928 3.381899 792.6393       64.61378 667.1517       88.90933 933.0988       94.06376 72.76609 5.050286 86.41248 4.499286 -13.64639      6.763798 
1 1 1 -51 17 15 f 22.49995 6.283383 42.43776       52.14819 2.331909       69.18711 95.19193       79.35052 18.50634 8.103181 26.49356 9.605314 -7.987219      12.56677 
1 1 1 -51 17 16 o 41.50724 5.901866 250.7998       57.89386 292.5915       80.16222 205.2370       83.70095 46.31596 7.153800 36.69852 9.388889 9.617432       11.80373 
1 1 1 -51 17 17 o 38.35127 6.782890 235.2199       62.63232 210.9565       84.28337 265.1427       93.59804 36.14942 9.509220 40.55312 9.674975 -4.403694      13.56578 
1 1 1 -51 19 1  o 60.55057 3.880676 461.1989       56.16731 386.0139       80.12943 533.8242       78.75358 55.48992 5.968644 65.61121 4.961236 -10.12130      7.761351 
1 1 1 -51 19 2  o 24.24948 6.293460 63.91241       49.84760 31.18974       75.30812 89.42879       66.50082 21.92557 8.958348 26.57338 8.841863 -4.647816      12.58692 
1 1 1 -51 19 3  o 31.54013 6.217397 129.9525       50.87323 181.4312       74.50092 84.97681       69.63641 36.80819 8.532339 26.27208 9.045624 10.53612       12.43479 
1 1 1 -51 19 4  o 78.43706 3.281955 759.6278       62.25823 740.2580       88.35285 778.7312       87.74318 77.41785 4.717123 79.45626 4.564392 -2.038414      6.563911 
1 1 1 -51 19 5  o 39.82877 5.456794 208.6348       51.13929 177.9285       74.60609 235.8488       70.23540 36.42154 8.603664 43.23601 6.714414 -6.814476      10.91359 
1 1 1 -51 19 6  o 34.02018 6.366397 156.4508       53.21553 156.9315       75.59836 155.9786       74.92245 34.06615 9.027473 33.97422 8.979352 0.9193420E-01  12.73279 
1 1 1 -51 19 7  o 79.52289 3.367122 785.6452       64.42673 695.2588       91.33749 875.1491       90.89046 74.84339 5.044212 84.20238 4.461610 -9.358986      6.734243 
1 1 1 -51 19 8  o 36.51332 5.882538 180.8158       50.71415 163.6645       75.50653 194.9122       68.45248 34.66384 8.943803 38.36281 7.643652 -3.698975      11.76508 
1 1 1 -51 19 9  o 70.27917 3.544321 616.6511       59.48331 496.8892       82.66418 745.2506       85.65998 63.01177 5.422423 77.54659 4.565759 -14.53482      7.088641 
1 1 1 -51 19 10 o 53.90084 4.288218 366.1628       55.76746 396.2418       82.64218 341.0142       75.56619 55.90409 6.110207 51.89760 6.018357 4.006493       8.576436 
1 1 1 -51 19 11 o 40.91655 5.662464 227.0073       54.01973 224.2849       77.59653 229.5676       75.24844 40.57826 8.186371 41.25485 7.825429 -0.6765900     11.32493 
1 1 1 -51 19 12 o 20.13573 6.068443 15.43688       51.55342 26.62929       78.73129 7.035908       68.21036 21.35188 8.978276 18.91957 8.166674 2.432310       12.13689 
1 1 1 -51 19 13 o 56.44814 4.444090 407.2713       59.93993 330.5889       79.56210 507.9182       91.15041 50.24424 6.545120 62.65204 6.013414 -12.40780      8.888180 
1 1 1 -51 19 14 o 30.28681 6.228225 122.9802       55.59268 33.52801       75.32710 229.9833       82.38613 20.95272 8.794739 39.62090 8.821322 -18.66818      12.45645 
1 1 1 -51 19 15 f 18.68692 5.913093 -13.78730      56.70366 -63.77049      78.09212 41.95570       82.46894 15.79692 7.508262 21.57691 9.136994 -5.779991      11.82619 
1 1 1 -51 21 3  o 59.83802 7.596176 562.7148       96.94145 684.9495       120.8684 342.2963       162.3079 72.97466 6.846025 46.70138 13.56243 26.27328       15.19235 
1 1 1 -51 21 4  o 27.43285 7.709374 80.98778       69.63286 92.64422       78.55950 38.26294       150.4028 26.99863 9.584770 27.86707 12.07767 -0.8684425     15.41875 
1 1 1 -51 21 5  o 25.95032 6.512408 84.56429       51.28940 81.37150       73.96836 87.52092       71.18030 25.71456 9.281353 26.18608 9.137960 -0.4715214     13.02482 
1 1 1 -51 21 6  o 40.88322 5.729301 226.9415       55.22823 189.9015       80.44041 259.9711       75.96098 36.90666 9.072741 44.85977 6.998923 -7.953106      11.45860 
1 1 1 -51 21 7  o 28.80070 5.504401 87.58028       54.33958 -67.02019      78.68546 228.5366       75.13311 16.45579 7.734804 41.14561 7.833679 -24.68982      11.00880 
1 1 1 -51 21 8  o 24.46405 6.233631 62.49373       53.46317 -14.67047      80.12290 124.4248       71.77990 19.06446 8.514225 29.86363 9.107172 -10.79917      12.46726 
1 1 1 -51 21 9  o 60.94874 4.295310 484.9292       61.82076 377.7529       88.72321 586.0667       86.18745 53.83329 6.812147 68.06419 5.233872 -14.23090      8.590621 
1 1 1 -51 21 10 o 22.18357 6.373347 43.10567       53.58075 58.49531       78.63512 29.76804       73.20517 23.48846 9.306788 20.87867 8.709873 2.609783       12.74669 
1 1 1 -51 21 11 o 52.15759 5.014670 365.1205       62.82671 320.9827       89.13615 408.6967       88.56734 48.66468 7.570728 55.65051 6.578127 -6.985821      10.02934 
1 1 1 -51 21 12 o 38.02280 6.552749 216.8838       60.20568 176.6352       82.77378 262.0962       87.72955 33.87183 9.639523 42.17376 8.878832 -8.301929      13.10550 
1 1 1 -51 21 13 o 30.78957 6.964811 155.8661       60.93554 187.5014       80.22089 112.7157       93.69016 34.53662 9.364877 27.04252 10.31181 7.494099       13.92962 
1 1 1 -51 23 10 o 62.36475 8.589975 669.8544       110.9804 672.3379       129.9902 663.1767       213.1507 68.72165 7.818341 56.00784 15.29785 12.71381       17.17995 
1 1 1 -51 23 11 o 22.61626 7.604413 -16.05005      90.87995 -36.13326      102.0618 60.83284       199.6924 18.87508 8.851793 26.35744 12.36746 -7.482365      15.20883 
1 1 1 -50 0  1  o 119.5654 2.689064 1735.977       109.7558 1735.977       109.7558 1735.977       109.7558 119.5654 3.802910 119.5654 3.802910 0.000000       0.000000 
1 1 1 -50 0  2  o 69.92419 3.126367 599.1306       74.11152 599.1306       74.11152 599.1306       74.11152 69.92419 4.421350 69.92419 4.421350 0.000000       0.000000 
1 1 1 -50 0  3  o 187.6977 2.951781 4271.938       189.3543 4271.938       189.3543 4271.938       189.3543 187.6977 4.174449 187.6977 4.174449 0.000000       0.000000 
1 1 1 -50 0  4  o 91.10601 2.675638 1009.998       83.07784 1009.998       83.07784 1009.998       83.07784 91.10601 3.783923 91.10601 3.783923 0.000000       0.000000 
1 1 1 -50 0  5  o 70.95846 2.994710 616.1343       72.11395 616.1343       72.11395 616.1343       72.11395 70.95846 4.235160 70.95846 4.235160 0.000000       0.000000 
1 1 1 -50 0  6  o 49.35597 5.527869 316.8352       86.33994 316.8352       86.33994 316.8352       86.33994 49.35597 7.817587 49.35597 7.817587 0.000000       0.000000 
1 1 1 -50 0  7  o 407.5587 5.254976 20175.85       732.2383 20175.85       732.2383 20175.85       732.2383 407.5587 7.431658 407.5587 7.431658 0.000000       0.000000 
1 1 1 -50 0  9  o 64.84289 2.978083 515.6335       65.43251 515.6335       65.43251 515.6335       65.43251 64.84289 4.211646 64.84289 4.211646 0.000000       0.000000 
1 1 1 -50 0  10 o 259.9561 3.619075 8201.246       321.6140 8201.246       321.6140 8201.246       321.6140 259.9561 5.118145 259.9561 5.118145 0.000000       0.000000 
1 1 1 -50 0  11 o 29.20873 6.040299 126.9750       52.42707 126.9750       52.42707 126.9750       52.42707 29.20873 8.542274 29.20873 8.542274 0.000000       0.000000 
1 1 1 -50 0  12 o 116.5156 2.481915 1649.054       98.74047 1649.054       98.74047 1649.054       98.74047 116.5156 3.509958 116.5156 3.509958 0.000000       0.000000 
1 1 1 -50 0  13 o 14.78701 6.007700 33.83895       48.51189 33.83895       48.51189 33.83895       48.51189 14.78701 8.496171 14.78701 8.496171 0.000000       0.000000 
1 1 1 -50 0  14 o 93.68712 2.512262 1068.934       80.26792 1068.934       80.26792 1068.934       80.26792 93.68712 3.552876 93.68712 3.552876 0.000000       0.000000 
1 1 1 -50 0  15 o 16.63931 6.327790 48.81691       49.78535 48.81691       49.78535 48.81691       49.78535 16.63931 8.948846 16.63931 8.948846 0.000000       0.000000 
1 1 1 -50 0  16 o 20.59267 6.818833 76.89407       53.75012 76.89407       53.75012 76.89407       53.75012 20.59267 9.643286 20.59267 9.643286 0.000000       0.000000 
1 1 1 -50 0  17 o 11.63620 5.412225 -8.201500      54.66018 -8.201500      54.66018 -8.201500      54.66018 11.63620 7.654042 11.63620 7.654042 0.000000       0.000000 
1 1 1 -50 0  18 o 14.66361 6.235960 28.79717       56.57159 28.79717       56.57159 28.79717       56.57159 14.66361 8.818978 14.66361 8.818978 0.000000       0.000000 
1 1 1 -50 0  19 o 39.19277 5.069560 208.3369       61.25753 208.3369       61.25753 208.3369       61.25753 39.19277 7.169440 39.19277 7.169440 0.000000       0.000000 
1 1 1 -50 0  20 o 11.79020 5.515544 -8.872872      58.09394 -8.872872      58.09394 -8.872872      58.09394 11.79020 7.800157 11.79020 7.800157 0.000000       0.000000 
1 1 1 -50 2  1  o 214.6403 3.666898 5676.923       167.5301 5776.656       195.9845 5406.306       322.8338 218.3549 3.709852 210.9257 6.326261 7.429199       7.333797 
1 1 1 -50 2  2  o 151.2936 3.089747 2792.761       98.55997 2811.877       114.3851 2737.656       194.2060 152.3828 3.102639 150.2045 5.344135 2.178268       6.179494 
1 1 1 -50 2  3  o 45.01533 5.199821 304.8748       44.49889 360.9082       52.33228 158.5961       84.55444 54.57607 3.963374 35.45458 9.614791 19.12149       10.39964 
1 1 1 -50 2  4  o 123.6085 2.989701 1894.105       78.05725 1941.095       91.10838 1764.426       151.3532 126.6152 2.974200 120.6017 5.187233 6.013489       5.979402 
1 1 1 -50 2  5  f 161.1352 3.204174 3215.385       108.8930 3289.503       126.9430 3008.923       211.8675 164.8146 3.183544 157.4557 5.561651 7.358932       6.408347 
1 1 1 -50 2  6  o 191.2660 3.436740 4480.181       138.8318 4526.906       161.4232 4347.412       272.1058 193.3225 3.451289 189.2096 5.944186 4.112885       6.873481 
1 1 1 -50 2  7  o 194.1874 3.464836 4588.641       141.3692 4603.497       163.6320 4544.914       280.7253 194.9427 3.469438 193.4321 5.998612 1.510605       6.929672 
1 1 1 -50 2  8  o 131.3088 3.011240 2130.026       83.31150 2172.862       96.99464 2009.518       162.6876 133.9486 2.993003 128.6690 5.226107 5.279602       6.022480 
1 1 1 -50 2  9  o 200.1368 3.525297 4987.259       150.9431 5140.238       177.7265 4591.315       285.9258 205.9543 3.566802 194.3193 6.081841 11.63499       7.050594 
1 1 1 -50 2  10 o 105.4931 2.897410 1299.561       64.05473 1252.198       73.36105 1451.517       131.4043 101.6676 2.982502 109.3186 4.968361 -7.651001      5.794819 
1 1 1 -50 2  11 o 142.4639 3.229091 2524.618       105.3518 2666.865       131.6459 2271.267       175.6904 148.2825 3.669569 136.6454 5.314356 11.63716       6.458182 
1 1 1 -50 2  12 o 80.02851 2.587288 777.6204       50.05468 741.9910       70.79813 813.2294       70.77789 78.18881 3.742612 81.86821 3.573386 -3.679398      5.174576 
1 1 1 -50 2  13 o 101.7822 2.481988 1258.540       61.08570 1218.605       86.74619 1297.823       86.03468 100.1721 3.579325 103.3923 3.439403 -3.220154      4.963976 
1 1 1 -50 2  14 o 51.61815 3.277484 325.3802       40.83258 297.9285       57.45884 353.3876       58.03750 49.39992 4.807600 53.83638 4.455850 -4.436459      6.554969 
1 1 1 -50 2  15 f 33.87560 4.841791 146.9837       38.31183 149.4995       53.80046 144.3954       54.56997 34.19878 6.742047 33.55243 6.951011 0.6463509      9.683581 
1 1 1 -50 2  16 o 68.62927 2.940215 576.5065       48.77158 600.3051       68.58717 552.1642       69.36629 70.08318 4.045076 67.17537 4.268116 2.907814       5.880429 
1 1 1 -50 2  17 o 18.87293 5.392640 22.40968       38.12729 18.15650       54.50198 26.48596       53.35651 18.56787 7.607696 19.17799 7.644948 -0.6101246     10.78528 
1 1 1 -50 2  18 o 35.84271 4.983823 167.6856       42.12492 186.2482       57.68000 146.4683       61.66691 38.50424 6.191763 33.18118 7.811277 5.323067       9.967647 
1 1 1 -50 2  19 o 41.62524 4.466746 220.0586       44.95256 211.9417       62.21148 228.9269       65.02698 40.82921 6.297921 42.42128 6.335888 -1.592068      8.933493 
1 1 1 -50 2  20 o 53.47282 3.824745 364.8143       49.00464 346.8210       73.37012 379.3059       65.84503 52.07620 5.823414 54.86944 4.960097 -2.793236      7.649491 
1 1 1 -50 4  1  o 168.6113 3.306834 3457.466       115.8747 3466.358       133.3774 3430.101       233.9914 169.1692 3.258807 168.0535 5.755065 1.115738       6.613667 
1 1 1 -50 4  2  o 264.8893 4.277646 8532.132       236.8809 8540.521       273.3622 8506.842       474.6183 265.4319 4.256799 264.3469 7.421096 1.084991       8.555291 
1 1 1 -50 4  3  o 168.4539 3.286678 3409.658       114.4505 3381.087       131.0515 3501.487       234.9450 167.0847 3.241924 169.8232 5.718299 -2.738419      6.573357 
1 1 1 -50 4  4  o 223.1377 3.766997 6131.444       178.3736 6231.892       208.2588 5854.849       345.5866 226.7915 3.795547 219.4840 6.508063 7.307465       7.533993 
1 1 1 -50 4  5  o 136.2815 3.077798 2262.076       87.08895 2272.235       100.2449 2230.815       175.8558 136.9832 3.024772 135.5798 5.361167 1.403351       6.155595 
1 1 1 -50 4  6  o 155.4837 3.166631 2990.744       103.8890 3055.926       121.0976 2809.042       202.1871 158.8490 3.151003 152.1183 5.493759 6.730667       6.333261 
1 1 1 -50 4  7  o 158.2827 3.184212 3109.388       106.7592 3190.015       124.8407 2889.947       205.9564 162.2896 3.179533 154.2758 5.517916 8.013748       6.368424 
1 1 1 -50 4  8  o 189.8688 3.452617 4326.116       135.3656 4282.065       154.8622 4468.769       278.6798 187.9982 3.404781 191.7394 6.007473 -3.741165      6.905235 
1 1 1 -50 4  9  o 112.2679 2.986904 1488.542       68.66305 1454.625       78.02363 1604.997       144.5781 109.5856 2.942865 114.9502 5.198647 -5.364616      5.973808 
1 1 1 -50 4  10 o 135.0055 3.048512 2218.032       85.11314 2223.439       97.74461 2201.071       173.1035 135.4649 2.982385 134.5460 5.317808 0.9188690      6.097024 
1 1 1 -50 4  11 o 155.9066 3.141213 2964.944       102.4360 2977.299       118.3381 2928.019       204.5859 156.7213 3.121004 155.0919 5.452358 1.629379       6.282425 
1 1 1 -50 4  12 o 28.52002 6.058711 84.52767       39.74202 67.44215       45.19668 142.7722       83.44875 23.46748 7.238880 33.57256 9.717536 -10.10508      12.11742 
1 1 1 -50 4  13 o 79.86263 3.255291 775.2250       52.61599 773.7580       59.80568 780.2499       110.6828 79.84956 3.095762 79.87569 5.727473 -0.2613831E-01 6.510583 
1 1 1 -50 4  14 o 47.38157 4.464234 266.6865       42.73360 259.1635       48.26282 293.9917       91.94718 46.10045 4.327182 48.66268 7.809803 -2.562229      8.928468 
1 1 1 -50 4  15 o 59.72851 3.128770 436.4079       45.18307 422.3778       64.27765 450.1117       63.52601 58.76517 4.521033 60.69185 4.326323 -1.926682      6.257540 
1 1 1 -50 4  16 o 90.51827 2.661034 998.6128       58.12374 1104.278       84.06300 901.8248       80.45444 95.12187 3.652769 85.91467 3.870619 9.207199       5.322068 
1 1 1 -50 4  17 o 94.95096 2.638767 1103.222       60.61744 1096.658       85.49554 1109.856       85.95834 94.66666 3.732881 95.23525 3.730680 -0.5685959     5.277535 
1 1 1 -50 4  18 o 14.69201 4.755868 -41.20547      39.01503 -73.47253      54.40829 -7.051819      55.97627 12.73093 6.109455 16.65309 7.290246 -3.922159      9.511736 
1 1 1 -50 4  19 o 42.84403 4.302685 233.1703       44.57601 233.3931       64.08276 232.9613       62.04654 42.83021 6.184274 42.85785 5.983907 -0.2764130E-01 8.605370 
1 1 1 -50 4  20 o 37.97989 7.665921 197.8893       68.01227 197.8893       68.01227 0.000000       0.000000 37.97989 7.665921 ?        ?        ?              ?        
1 1 1 -50 6  1  o 57.90039 3.923955 372.3304       46.64233 344.7638       52.52811 475.0743       101.4095 53.32518 4.071526 62.47559 6.709126 -9.150406      7.847910 
1 1 1 -50 6  2  o 258.9024 4.163738 8434.088       235.6432 8867.361       282.8658 7451.517       425.9727 270.4199 4.323541 247.3850 7.117151 23.03488       8.327476 
1 1 1 -50 6  3  o 247.8718 4.086756 7456.631       211.1068 7450.146       243.1308 7476.502       425.5617 247.9143 4.053555 247.8294 7.097535 0.8491516E-01  8.173512 
1 1 1 -50 6  4  o 151.6152 3.371187 2811.267       115.4116 2853.180       140.5670 2724.569       202.1695 153.4419 3.786493 149.7886 5.578718 3.653229       6.742375 
1 1 1 -50 6  5  o 106.9707 3.205692 1496.154       70.38328 1612.587       82.31354 1179.536       135.7378 115.3955 2.948357 98.54591 5.693245 16.84959       6.411384 
1 1 1 -50 6  6  o 56.33552 3.990253 354.6471       46.19611 329.9993       52.09000 445.4492       99.97987 52.17219 4.126796 60.49884 6.830669 -8.326649      7.980506 
1 1 1 -50 6  7  o 159.0002 3.419243 3163.265       125.6021 3446.473       160.2038 2711.481       202.3417 168.6107 3.927222 149.3898 5.598376 19.22092       6.838486 
1 1 1 -50 6  8  o 159.6439 3.245732 3121.832       107.1325 3149.061       123.2161 3037.478       216.8719 161.2202 3.158972 158.0676 5.670979 3.152557       6.491464 
1 1 1 -50 6  9  o 136.1828 3.112372 2244.963       86.67650 2239.526       98.91949 2262.939       179.8685 135.9539 3.007378 136.4118 5.450058 -0.4578857     6.224745 
1 1 1 -50 6  10 o 123.7607 3.047348 1881.759       77.74400 1902.221       89.34680 1817.966       157.7569 125.2874 2.947606 122.2339 5.334506 3.053444       6.094697 
1 1 1 -50 6  11 o 74.35014 3.440722 675.3708       51.37713 677.6766       58.28883 667.3409       108.7744 74.75388 3.222918 73.94641 6.080054 0.8074722      6.881444 
1 1 1 -50 6  12 o 33.10820 5.907259 98.64142       39.54250 70.58688       43.50663 231.8858       94.81528 23.80250 7.052770 42.41389 9.478464 -18.61139      11.81452 
1 1 1 -50 6  13 o 56.99751 4.318632 395.1165       46.99244 392.9104       52.27737 404.4022       107.2540 56.83373 3.801940 57.16129 7.755487 -0.3275642     8.637264 
1 1 1 -50 6  14 o 29.41876 6.338631 88.52926       41.27093 72.18586       45.92992 157.0494       94.04452 24.01791 7.276239 34.81961 10.38120 -10.80170      12.67726 
1 1 1 -50 6  15 o 15.60505 5.147264 -39.04379      41.87807 -13.35204      46.43593 -150.9816      96.92720 14.82847 6.559916 16.38162 7.933777 -1.553147      10.29453 
1 1 1 -50 6  16 o 27.11823 5.231166 106.9694       45.39640 159.6309       50.71094 -105.5086      101.8619 35.88295 5.841324 18.35351 8.679824 17.52944       10.46233 
1 1 1 -50 6  17 o 30.73260 5.486985 124.8341       40.80764 131.6368       58.64877 118.4499       56.81629 31.53980 7.743032 29.92541 7.776468 1.614393       10.97397 
1 1 1 -50 6  18 o 24.97561 5.816943 78.55921       41.56226 100.5490       58.56579 56.24792       58.99234 27.48603 8.191672 22.46518 8.260982 5.020859       11.63389 
1 1 1 -50 6  19 o 20.85179 5.777250 41.06269       42.48341 35.05051       60.23479 47.01370       59.92762 20.31483 8.114865 21.38874 8.225292 -1.073908      11.55450 
1 1 1 -50 6  20 o 16.62849 7.427415 -11.67224      60.99774 -11.67224      60.99774 0.000000       0.000000 16.62849 7.427415 ?        ?        ?              ?        
1 1 1 -50 8  1  o 163.0042 3.357023 3294.639       113.4598 3361.990       131.0782 3093.397       226.5769 166.5611 3.252779 159.4474 5.873486 7.113693       6.714045 
1 1 1 -50 8  2  o 249.1142 4.138281 7499.040       212.7728 7454.943       243.6511 7640.690       436.6900 247.9270 4.062023 250.3013 7.211204 -2.374359      8.276563 
1 1 1 -50 8  3  o 77.66563 3.552661 729.7903       55.11452 727.7404       62.29145 737.1802       118.2715 77.49815 3.322268 77.83311 6.280776 -0.3349533     7.105323 
1 1 1 -50 8  4  o 185.4673 3.478245 4162.448       133.0708 4150.018       152.4360 4202.261       272.8045 185.0607 3.404638 185.8738 6.066400 -0.8131104     6.956491 
1 1 1 -50 8  5  o 77.62564 3.852318 796.6016       56.30586 841.2108       63.41597 630.4581       122.3848 83.32797 3.145614 71.92332 7.033244 11.40466       7.704635 
1 1 1 -50 8  6  o 112.3045 3.320253 1626.924       74.60680 1711.934       85.66373 1359.905       151.8207 118.8778 2.978475 105.7312 5.935067 13.14661       6.640507 
1 1 1 -50 8  7  o 41.42168 5.926723 257.1485       44.37349 281.2933       48.95585 145.9845       105.0449 48.14838 4.202625 34.69497 11.08342 13.45341       11.85345 
1 1 1 -50 8  8  o 185.5185 3.467194 4071.096       129.9955 3983.372       146.9570 4386.675       278.7296 181.2706 3.350893 189.7664 6.071018 -8.495743      6.934389 
1 1 1 -50 8  9  o 132.9548 3.402334 2228.618       101.7563 2391.093       125.6565 1919.096       173.4356 140.3889 3.699558 125.5207 5.711110 14.86816       6.804668 
1 1 1 -50 8  10 o 200.9060 3.594286 4919.443       150.0094 4925.146       172.6128 4901.844       303.2201 201.4690 3.541298 200.3430 6.255779 1.125946       7.188572 
1 1 1 -50 8  11 o 99.18481 3.320482 1254.366       64.66000 1298.503       73.37082 1100.892       136.8175 103.4736 2.930836 94.89603 5.959245 8.577568       6.640964 
1 1 1 -50 8  12 f 104.9902 3.308980 1345.478       68.25465 1346.382       76.75658 1342.058       149.2068 105.3220 3.012271 104.6583 5.892674 0.6636963      6.617959 
1 1 1 -50 8  13 o 167.2937 3.367652 3498.626       117.5698 3579.594       136.4093 3264.723       231.8494 171.5957 3.285756 162.9918 5.879467 8.603912       6.735304 
1 1 1 -50 8  14 o 41.99267 5.789957 214.8506       45.21830 208.7276       49.88350 243.0696       107.0883 41.25087 4.998291 42.73447 10.44565 -1.483608      11.57991 
1 1 1 -50 8  15 o 65.58544 4.233002 497.6684       52.30916 477.9576       57.53886 591.5527       125.5754 62.55339 3.801965 68.61749 7.564277 -6.064106      8.466003 
1 1 1 -50 8  16 o 60.71525 4.691087 422.8368       53.56990 401.2423       58.78989 528.4949       130.0419 57.16692 4.250651 64.26358 8.364038 -7.096661      9.382174 
1 1 1 -50 8  17 o 65.08417 4.695409 548.4545       55.45239 555.7857       61.21630 514.9316       130.9037 67.29152 3.760143 62.87681 8.605160 4.414707       9.390818 
1 1 1 -50 8  18 o 44.90443 6.191155 269.3875       50.60012 267.8910       55.75040 276.3831       120.5353 46.31807 4.975025 43.49078 11.33890 2.827290       12.38231 
1 1 1 -50 8  19 o 33.78046 5.171822 148.3080       45.61572 271.6784       68.46405 49.82150       61.17100 45.94919 6.158605 21.61172 8.310388 24.33747       10.34364 
1 1 1 -50 8  20 o 28.98488 11.38436 121.1184       116.7037 121.1184       116.7037 0.000000       0.000000 28.98488 11.38436 ?        ?        ?              ?        
1 1 1 -50 10 1  o 160.1741 3.398033 3157.953       110.9896 3192.544       126.9575 3045.806       228.6003 162.2734 3.233768 158.0748 5.977395 4.198624       6.796065 
1 1 1 -50 10 2  o 124.1581 3.258297 1892.360       80.61128 1907.645       91.27845 1838.192       171.8361 125.4624 3.007131 122.8537 5.781278 2.608673       6.516595 
1 1 1 -50 10 3  o 135.6511 3.285861 2322.140       91.02788 2403.866       104.8788 2072.576       183.2729 140.8373 3.077994 130.4650 5.806331 10.37225       6.571722 
1 1 1 -50 10 4  f 252.9983 4.192714 7895.817       222.6454 8000.994       258.3150 7591.910       439.0962 256.7509 4.158486 249.2457 7.281648 7.505188       8.385427 
1 1 1 -50 10 5  o 171.6561 3.429803 3504.953       118.1239 3446.689       133.2993 3718.025       254.9132 168.6202 3.267502 174.6919 6.031387 -6.071671      6.859606 
1 1 1 -50 10 6  o 149.9236 3.300828 2813.378       101.6586 2891.897       117.1908 2574.658       204.3374 154.4605 3.135984 145.3868 5.809257 9.073746       6.601655 
1 1 1 -50 10 7  o 95.33447 3.130651 1101.794       72.20827 1101.794       72.20827 0.000000       0.000000 95.33447 3.130651 ?        ?        ?              ?        
1 1 1 -50 10 8  o 84.52321 3.504627 861.7932       57.75983 856.6776       64.66712 881.9750       128.4450 84.05260 3.180022 84.99381 6.246367 -0.9412079     7.009254 
1 1 1 -50 10 9  o 27.95605 6.169185 102.6278       43.05267 118.1339       47.50326 31.31469       101.8723 30.49099 6.628543 25.42110 10.40662 5.069889       12.33837 
1 1 1 -50 10 10 o 103.9784 3.356104 1363.150       68.52760 1398.164       77.56065 1238.548       146.3128 107.3545 2.986201 100.6023 6.011352 6.752213       6.712208 
1 1 1 -50 10 11 o 90.42712 3.817891 1052.933       63.60648 1084.388       70.68079 918.9768       145.8624 94.50499 3.091323 86.34925 6.982041 8.155739       7.635782 
1 1 1 -50 10 12 o 112.3316 3.328120 1525.903       73.64634 1514.213       82.73862 1570.494       161.5941 111.6375 3.063346 113.0257 5.909437 -1.388199      6.656240 
1 1 1 -50 10 13 o 114.3766 3.401099 1581.993       75.47998 1567.996       84.33933 1638.311       169.1790 113.5533 3.069927 115.1999 6.070045 -1.646576      6.802198 
1 1 1 -50 10 14 o 67.41680 4.786535 612.3032       55.38361 634.9199       60.70753 500.0595       135.2412 72.16059 3.477284 62.67301 8.919202 9.487579       9.573070 
1 1 1 -50 10 15 o 23.02708 6.858181 24.46507       45.70461 21.28363       48.83134 46.94825       129.8122 18.09112 7.278127 27.96304 11.62615 -9.871916      13.71636 
1 1 1 -50 10 16 o 80.15998 4.861403 918.9236       74.95749 1018.788       86.74799 624.6282       148.9176 91.08443 3.936525 69.23553 8.890262 21.84889       9.722807 
1 1 1 -50 10 17 o 64.20242 5.065006 542.0285       57.52499 548.9087       63.15306 508.5068       139.3981 66.74673 3.910769 61.65810 9.344680 5.088638       10.13001 
1 1 1 -50 10 18 o 30.07258 6.519084 138.8540       50.96772 160.1438       55.63927 27.80488       127.0729 34.65072 6.879588 25.49444 11.07543 9.156279       13.03817 
1 1 1 -50 10 19 o 26.26433 7.332691 49.72010       51.60850 27.36176       55.85387 180.2498       134.9548 18.86752 7.712620 33.66114 12.47353 -14.79361      14.66538 
1 1 1 -50 12 1  o 129.9727 3.419817 2013.559       85.47860 1985.712       95.08386 2130.875       195.1623 127.9446 3.071728 132.0009 6.111062 -4.056358      6.839633 
1 1 1 -50 12 2  o 75.54599 4.558486 798.6220       60.33730 856.2405       67.09794 555.1458       137.9293 84.00713 3.301344 67.08486 8.498253 16.92226       9.116972 
1 1 1 -50 12 3  o 63.81410 5.411348 610.9020       55.41032 667.2997       61.47074 366.4485       127.9781 74.15791 3.426168 53.47030 10.26607 20.68761       10.82270 
1 1 1 -50 12 4  o 107.2326 3.437783 1420.064       71.83217 1434.650       80.73664 1364.664       157.3449 108.7697 3.068037 105.6956 6.153094 3.074089       6.875566 
1 1 1 -50 12 5  o 286.8388 4.648368 9883.777       270.5013 9734.052       306.8571 10405.71       572.9219 282.9191 4.483029 290.7585 8.144431 -7.839325      9.296737 
1 1 1 -50 12 6  o 68.54840 4.333834 555.6630       51.72710 547.6611       56.03493 601.7847       134.5286 67.17475 3.447867 69.92204 7.952401 -2.747292      8.667667 
1 1 1 -50 12 7  o 192.8295 3.864594 4485.162       166.0019 4404.167       198.3395 4674.599       303.3289 190.2801 4.308376 195.3788 6.417028 -5.098740      7.729188 
1 1 1 -50 12 8  o 197.0325 3.692739 4676.978       146.8607 4627.323       166.4073 4851.874       312.3083 195.1799 3.523993 198.8851 6.490513 -3.705124      7.385478 
1 1 1 -50 12 9  o 69.25052 5.050714 702.1147       55.45778 750.0127       60.48271 449.2564       138.9668 78.59053 3.180964 59.91050 9.587507 18.68003       10.10143 
1 1 1 -50 12 10 o 94.89085 3.586620 1064.948       63.66648 1044.560       70.15398 1160.143       151.5875 92.72738 3.127102 97.05432 6.455742 -4.326942      7.173240 
1 1 1 -50 12 11 o 107.6201 3.624217 1483.961       73.61471 1526.184       82.34365 1315.883       164.2894 112.0626 3.037156 103.1777 6.581449 8.884949       7.248433 
1 1 1 -50 12 12 o 30.41188 6.742864 124.4786       48.10813 137.5722       51.75261 41.21356       130.5075 32.72100 6.760996 28.10276 11.66850 4.618244       13.48573 
1 1 1 -50 12 13 o 106.7147 3.633233 1363.892       72.90460 1341.701       80.53701 1464.604       171.5726 104.9578 3.171602 108.4715 6.537773 -3.513771      7.266467 
1 1 1 -50 12 14 o 74.02409 4.499175 706.9380       58.18475 718.0518       63.64035 650.3271       143.6323 76.68307 3.430289 71.36512 8.318859 5.317955       8.998350 
1 1 1 -50 12 15 o 33.33878 7.240303 148.8092       51.94522 153.9323       55.60432 113.6823       145.6003 34.32859 6.933729 32.34898 12.71265 1.979618       14.48061 
1 1 1 -50 12 16 o 76.00009 4.836823 710.1936       76.64379 684.2436       87.79346 793.3374       157.1477 74.16453 4.892869 77.83566 8.345015 -3.671127      9.673647 
1 1 1 -50 12 17 o 42.64684 6.749004 258.7982       56.38824 263.0217       62.65894 240.8091       129.3166 45.56494 5.683945 39.72873 12.24292 5.836212       13.49801 
1 1 1 -50 12 18 o 49.09074 6.452218 288.4541       57.79733 260.0968       63.09352 436.4069       144.1166 44.97190 5.798841 53.20958 11.52813 -8.237679      12.90444 
1 1 1 -50 12 19 o 26.42217 6.413537 110.5945       54.77145 142.6950       59.08019 -85.71090      146.1005 31.48427 7.797020 21.36007 10.18530 10.12420       12.82707 
1 1 1 -50 14 1  o 71.32651 3.125879 622.3958       53.76355 572.8786       76.78881 670.0106       75.29936 68.50641 4.633023 74.14660 4.197568 -5.640190      6.251758 
1 1 1 -50 14 2  o 17.14030 5.211820 -3.222549      39.12124 -15.45218      58.20460 6.855020       52.83582 16.72241 7.373685 17.55820 7.367568 -0.8357906     10.42364 
1 1 1 -50 14 3  o 55.99593 3.597770 386.9818       47.86274 302.0711       67.37514 473.4889       68.00552 49.67188 5.606436 62.31998 4.510395 -12.64810      7.195539 
1 1 1 -50 14 4  o 119.1370 2.721185 1725.354       78.39494 1687.436       108.7805 1766.327       113.0788 117.7814 3.817437 120.4925 3.878991 -2.711052      5.442370 
1 1 1 -50 14 5  o 21.48310 5.575471 43.07702       39.91347 7.567352       60.50460 70.43559       53.10823 18.74499 7.875803 24.22120 7.894000 -5.476206      11.15094 
1 1 1 -50 14 6  f 98.66115 2.734735 1184.882       65.25111 1224.791       92.34924 1145.094       92.20895 100.3301 3.804519 96.99218 3.929471 3.337929       5.469470 
1 1 1 -50 14 7  f 19.22388 5.414744 5.935471       39.42681 61.70843       63.37276 -29.28408      50.35964 23.95732 8.597551 14.49043 6.584826 9.466892       10.82949 
1 1 1 -50 14 8  o 83.42426 3.002218 847.3938       60.52853 796.2997       83.71196 903.3729       87.62241 80.78781 4.282915 86.06071 4.208312 -5.272896      6.004436 
1 1 1 -50 14 9  o 114.5292 2.750884 1599.661       76.19637 1627.749       106.9817 1570.743       108.5514 115.5644 3.826336 113.4940 3.953303 2.070351       5.501768 
1 1 1 -50 14 10 o 52.47629 3.790865 337.3566       47.94920 380.8712       69.97382 298.8363       65.83599 55.68070 5.194319 49.27188 5.522832 6.408813       7.581730 
1 1 1 -50 14 11 o 34.49466 5.259114 160.9336       44.33541 82.17641       65.44080 227.7511       60.27656 26.06335 8.771938 42.92596 5.803983 -16.86261      10.51823 
1 1 1 -50 14 12 f 95.83774 2.874040 1121.547       66.47594 1016.580       91.66087 1238.015       96.55208 91.09291 4.159078 100.5826 3.967680 -9.489662      5.748079 
1 1 1 -50 14 13 o 97.45427 2.832191 1163.161       66.68330 1079.746       92.64674 1252.826       96.05438 93.80807 4.082138 101.1005 3.927007 -7.292404      5.664383 
1 1 1 -50 14 14 o 91.00635 2.934834 1018.815       64.58466 1038.591       93.16468 1000.519       89.61189 91.83987 4.192931 90.17283 4.107594 1.667046       5.869668 
1 1 1 -50 14 15 o 91.44116 3.045982 1034.802       67.35360 1004.136       95.61129 1065.012       94.89746 90.05755 4.388203 92.82477 4.225600 -2.767220      6.091964 
1 1 1 -50 14 16 o 30.32244 6.808342 137.0219       53.75060 155.4574       58.81817 43.65259       132.3690 33.94827 7.372453 26.69662 11.44819 7.251650       13.61668 
1 1 1 -50 14 17 o 21.44713 6.889108 -63.29098      55.26104 -95.65912      59.96800 118.9530       142.2942 12.56417 6.120451 30.33009 12.34420 -17.76591      13.77822 
1 1 1 -50 14 18 o 40.92405 7.546023 247.0698       60.94624 238.4504       66.02402 296.7281       158.4749 42.30611 6.450547 39.54199 13.64406 2.764122       15.09205 
1 1 1 -50 14 19 o 14.97556 7.213864 -79.65247      77.53403 -79.65247      77.53403 0.000000       0.000000 14.97556 7.213864 ?        ?        ?              ?        
1 1 1 -50 16 1  o 76.74854 3.174104 725.4776       58.28848 600.9100       82.17081 851.6438       82.69640 69.99969 4.851981 83.49737 4.093658 -13.49767      6.348209 
1 1 1 -50 16 2  o 111.2794 2.782096 1510.401       74.88702 1473.850       104.8098 1548.523       107.0378 109.9028 3.941768 112.6561 3.927175 -2.753319      5.564192 
1 1 1 -50 16 3  o 55.50467 3.734917 379.1038       50.04682 356.1495       71.47147 401.1869       70.10217 53.81962 5.488956 57.18972 5.066536 -3.370102      7.469835 
1 1 1 -50 16 4  o 30.34163 5.795992 119.3884       43.37643 116.9759       65.40608 121.2826       57.95469 30.09612 8.570072 30.58713 7.805637 -0.4910069     11.59198 
1 1 1 -50 16 5  o 49.39877 4.024601 300.3546       47.93315 301.3484       70.82432 299.5147       65.11093 49.43870 5.921245 49.35885 5.452385 0.7985306E-01  8.049202 
1 1 1 -50 16 6  o 160.7024 2.894426 3153.528       112.5227 3217.127       159.6366 3090.728       158.6303 162.3231 4.064899 159.0817 4.121578 3.241409       5.788853 
1 1 1 -50 16 7  o 55.36285 3.832632 378.0995       50.90077 370.0876       76.66972 384.4139       68.06514 54.77114 5.785884 55.95457 5.027903 -1.183422      7.665264 
1 1 1 -50 16 8  o 39.95431 5.193429 204.5418       48.46209 151.0485       67.42377 261.7155       69.70463 33.96116 8.280607 45.94746 6.270435 -11.98631      10.38686 
1 1 1 -50 16 9  o 125.9518 3.904437 1938.981       118.9775 1938.981       118.9775 0.000000       0.000000 125.9518 3.904437 ?        ?        ?              ?        
1 1 1 -50 16 10 o 38.80899 5.179914 195.1833       47.13688 169.2998       69.39793 217.3522       64.22538 35.85976 8.180018 41.75822 6.357149 -5.898460      10.35983 
1 1 1 -50 16 11 o 101.7658 2.860805 1270.259       70.40541 1274.706       98.24340 1265.564       100.9483 101.9706 3.982228 101.5610 4.108368 0.4095764      5.721611 
1 1 1 -50 16 12 o 41.79366 5.118040 227.0854       50.07269 204.2085       73.43949 246.9597       68.45041 39.27145 8.001114 44.31588 6.384316 -5.044430      10.23608 
1 1 1 -50 16 13 o 82.94328 3.195265 853.8538       63.89831 783.7828       91.15317 921.5551       89.59861 79.49418 4.739518 86.39237 4.286705 -6.898193      6.390530 
1 1 1 -50 16 14 o 48.81348 4.401878 298.1370       50.86276 394.7143       76.82394 222.7659       67.86742 55.94350 5.676029 41.68344 6.729696 14.26006       8.803756 
1 1 1 -50 16 15 o 52.48378 4.353128 354.2513       55.08470 329.9297       79.05408 377.2044       76.79797 50.57685 6.460561 54.39071 5.836100 -3.813862      8.706257 
1 1 1 -50 16 16 o 54.21517 4.492491 386.3661       58.01595 312.9578       81.82007 460.5942       82.27573 48.59895 6.958741 59.83139 5.683820 -11.23244      8.984982 
1 1 1 -50 16 17 o 34.64800 6.826113 185.9944       59.30713 188.6491       85.92440 183.5790       81.96176 34.77556 9.795052 34.52045 9.510007 0.2551079      13.65223 
1 1 1 -50 16 18 o 27.96429 6.694229 113.7883       59.83451 208.7164       89.19361 36.11214       80.68264 35.24697 9.997841 20.68161 8.904716 14.56536       13.38846 
1 1 1 -50 18 1  o 79.45000 3.264279 777.1677       62.68486 754.4308       89.73478 798.8372       87.60322 78.27881 4.738210 80.62120 4.491262 -2.342392      6.528558 
1 1 1 -50 18 2  o 46.68337 4.631718 280.8931       49.63573 216.7595       71.50957 340.5201       68.95134 40.89549 7.504009 52.47125 5.431490 -11.57576      9.263435 
1 1 1 -50 18 3  o 152.1578 4.111506 2835.765       151.3553 2835.765       151.3553 0.000000       0.000000 152.1578 4.111506 ?        ?        ?              ?        
1 1 1 -50 18 4  o 84.09299 3.119833 866.9760       63.44323 891.4615       91.47038 844.2767       88.07072 85.22976 4.435952 82.95621 4.388138 2.273544       6.239666 
1 1 1 -50 18 5  o 116.8532 2.869040 1672.032       81.10958 1684.876       114.8139 1659.236       114.5989 117.3053 4.045521 116.4011 4.069314 0.9042206      5.738080 
1 1 1 -50 18 6  o 15.76034 5.108531 -41.25999      44.50378 -71.71661      68.61089 -19.13866      58.47333 15.16736 7.157851 16.35333 7.290648 -1.185965      10.21706 
1 1 1 -50 18 7  o 55.18141 4.140331 379.9111       54.57100 368.7009       83.35431 388.3203       72.19343 54.33886 6.340380 56.02396 5.326250 -1.685101      8.280662 
1 1 1 -50 18 8  o 114.5627 4.007613 1609.478       111.0788 1609.478       111.0788 0.000000       0.000000 114.5627 4.007613 ?        ?        ?              ?        
1 1 1 -50 18 9  o 48.19466 4.512307 291.9878       52.53786 279.1607       75.06604 304.3041       73.55647 47.09799 6.587776 49.29133 6.168052 -2.193336      9.024614 
1 1 1 -50 18 10 o 20.99342 5.736476 23.69577       47.24376 -51.42620      71.30294 82.48335       63.07637 16.36057 7.580288 25.62628 8.612076 -9.265717      11.47295 
1 1 1 -50 18 11 o 56.26588 4.095409 397.6396       55.52541 398.7747       82.28503 396.6907       75.23701 56.24557 6.046864 56.28619 5.524937 -0.4062653E-01 8.190818 
1 1 1 -50 18 12 o 58.14750 4.139771 429.2370       57.81995 374.1177       82.03674 483.6445       81.50536 54.24642 6.250792 62.04858 5.429402 -7.802162      8.279541 
1 1 1 -50 18 13 f 32.14574 6.323933 146.8780       51.91380 114.1959       77.69428 173.2384       69.77668 28.85532 9.554967 35.43615 8.286804 -6.580826      12.64787 
1 1 1 -50 18 14 o 41.98056 5.863345 245.1580       57.37660 243.5850       79.13390 246.9014       83.31283 41.96553 8.087394 41.99559 8.491720 -0.3005219E-01 11.72669 
1 1 1 -50 18 15 o 24.39482 6.541085 61.68190       56.74361 4.874869       76.92813 129.4738       84.03749 19.34203 8.504865 29.44761 9.940345 -10.10559      13.08217 
1 1 1 -50 18 16 o 43.92379 5.820874 275.6070       59.70790 190.8495       79.80641 383.3675       89.98669 35.08260 9.265057 52.76498 7.049045 -17.68237      11.64175 
1 1 1 -50 20 1  o 21.50376 6.166345 32.72160       50.37702 14.83035       75.28780 47.22616       67.78857 20.62991 8.732723 22.37761 8.708318 -1.747707      12.33269 
1 1 1 -50 20 2  o 68.93881 3.536842 590.1772       58.97275 597.3760       84.62922 583.3820       82.22295 69.33161 5.045297 68.54601 4.958023 0.7855988      7.073685 
1 1 1 -50 20 3  o 40.02426 5.800684 212.6366       54.03579 224.5850       81.12766 203.1093       72.44380 40.94212 8.469641 39.10640 7.928236 1.835724       11.60137 
1 1 1 -50 20 4  o 90.48207 3.187940 1010.018       69.68372 1089.627       100.3528 935.8909       96.83652 93.95939 4.414557 87.00475 4.600383 6.954643       6.375879 
1 1 1 -50 20 5  o 53.30299 4.233119 357.0546       54.38644 351.5710       80.04124 361.7577       74.12688 52.83115 6.262120 53.77483 5.697633 -0.9436760     8.466237 
1 1 1 -50 20 6  o 39.99611 5.540799 206.4046       52.38218 258.4329       78.92772 165.4486       70.02750 44.95764 7.256443 35.03458 8.375312 9.923061       11.08160 
1 1 1 -50 20 7  o 25.17392 6.219143 73.37256       50.09008 21.27101       74.94242 115.4417       67.34175 21.02862 8.795930 29.31922 8.794464 -8.290602      12.43829 
1 1 1 -50 20 8  o 39.76276 5.418031 208.8650       50.85080 195.0142       74.49610 220.9491       69.58282 37.96656 8.338313 41.55897 6.920461 -3.592403      10.83606 
1 1 1 -50 20 9  o 66.12770 3.673725 546.9188       58.73358 562.8873       85.03230 532.3493       81.22228 67.02900 5.243472 65.22639 5.146944 1.802605       7.347450 
1 1 1 -50 20 10 o 87.06784 3.182990 944.0989       67.00401 912.8243       95.27627 974.7021       94.24805 85.58547 4.601320 88.55021 4.399269 -2.964737      6.365981 
1 1 1 -50 20 11 o 27.27857 6.646408 99.80395       53.09037 102.9186       77.60675 97.06411       72.78703 27.63004 9.547207 26.92710 9.249312 0.7029343      13.29282 
1 1 1 -50 20 12 o 45.72445 5.790199 291.3858       60.88459 187.2488       84.38393 404.4676       87.93333 35.77054 9.565241 55.67836 6.527770 -19.90782      11.58040 
1 1 1 -50 20 13 o 36.30051 6.588519 192.3786       57.85868 165.9229       76.30548 228.1635       88.74532 33.46550 9.158150 39.13553 9.474315 -5.670036      13.17704 
1 1 1 -50 20 14 o 49.95967 5.259677 342.6312       63.21672 299.4376       85.21236 395.5034       94.27724 46.35221 7.598535 53.56712 7.274550 -7.214912      10.51935 
1 1 1 -50 20 15 o 17.94353 5.758664 -69.08633      58.98761 -176.9914      78.52780 70.64162       89.36020 12.46230 6.233106 23.42476 9.684897 -10.96246      11.51733 
1 1 1 -50 22 5  o 26.31845 7.922566 47.00493       82.01989 41.20166       97.54267 61.01130       151.5379 24.04381 10.04414 28.59310 12.25494 -4.549288      15.84513 
1 1 1 -50 22 6  o 30.78958 8.054739 122.5114       92.08963 202.9744       108.9658 -78.59607      172.2686 36.85959 11.21650 24.71957 11.56311 12.14002       16.10948 
1 1 1 -50 22 7  o 22.18733 7.083931 -25.67282      83.13368 38.01308       97.06868 -200.9518      161.0358 23.66641 9.961263 20.70826 10.07480 2.958147       14.16786 
1 1 1 -50 22 8  o 26.71454 6.389766 87.84763       54.67418 154.4571       76.45430 18.12988       78.21777 32.77895 9.241921 20.65013 8.826287 12.12882       12.77953 
1 1 1 -50 22 9  o 20.41673 6.104008 8.027609       55.35436 -50.61808      78.80887 65.13337       77.76730 16.91972 7.883345 23.91375 9.321402 -6.994022      12.20802 
1 1 1 -50 22 10 o 67.49471 3.987701 588.2797       65.11600 586.8024       91.78748 589.7764       92.39133 67.41859 5.627318 67.57082 5.651578 -0.1522293     7.975402 
1 1 1 -50 22 11 f 37.53857 6.176092 206.4176       61.58722 90.83932       85.01749 334.0417       89.33801 25.76600 9.823458 49.31113 7.488400 -23.54512      12.35218 
1 1 1 -50 22 12 o 20.30014 6.263866 10.43404       59.16510 -31.67600      79.92934 61.47176       87.99520 17.36021 8.037197 23.24008 9.609763 -5.879873      12.52773 
1 1 1 -49 1  1  o 134.6391 3.025395 2237.965       86.63055 2285.022       101.3838 2110.648       166.7630 137.3729 3.050459 131.9053 5.225587 5.467590       6.050790 
1 1 1 -49 1  2  o 44.70510 4.655025 256.2921       42.56896 267.5797       49.99428 226.5318       81.17764 46.98655 4.397892 42.42366 8.205827 4.562881       9.310051 
1 1 1 -49 1  3  o 222.0671 3.739255 6073.165       177.0560 6179.342       207.3200 5787.032       340.3383 225.8550 3.794103 218.2793 6.444602 7.575775       7.478509 
1 1 1 -49 1  4  o 273.5714 4.323834 9195.404       251.4687 9318.636       293.6653 8856.633       486.9073 277.2908 4.377386 269.8521 7.457927 7.438660       8.647669 
1 1 1 -49 1  5  o 162.7625 3.183292 3261.888       109.7531 3318.420       128.0405 3105.294       213.1017 165.5434 3.196932 159.9816 5.505725 5.561752       6.366584 
1 1 1 -49 1  6  o 157.4593 3.145393 3037.583       104.5136 3072.313       121.4929 2938.727       204.9764 159.2868 3.152598 155.6318 5.443814 3.655090       6.290786 
1 1 1 -49 1  7  o 343.5707 5.228908 14402.23       377.5531 14444.79       437.1122 14277.22       749.2162 345.0612 5.235938 342.0803 9.052672 2.980988       10.45782 
1 1 1 -49 1  8  o 95.64298 3.005249 1111.829       60.13163 1114.841       69.43743 1102.796       120.2456 95.95159 2.991157 95.33437 5.213356 0.6172180      6.010499 
1 1 1 -49 1  9  o 270.9775 4.567662 9010.215       285.3351 9207.688       355.5938 8653.183       478.1390 275.4062 5.336765 266.5489 7.414384 8.857361       9.135324 
1 1 1 -49 1  10 o 228.0800 3.300352 6307.855       182.0291 6456.487       262.4458 6170.071       252.6874 230.6617 4.702857 225.4982 4.631676 5.163528       6.600703 
1 1 1 -49 1  11 o 114.6765 2.449235 1593.357       67.93544 1635.165       97.36558 1553.695       94.83484 116.1416 3.465098 113.2115 3.462384 2.930099       4.898469 
1 1 1 -49 1  12 o 121.7200 2.483723 1796.762       73.13876 1818.386       103.9847 1775.591       102.8916 122.4450 3.510153 120.9951 3.514875 1.449837       4.967446 
1 1 1 -49 1  13 o 43.72646 3.553538 232.7664       37.57780 229.8345       52.27648 235.9012       54.05416 43.44468 4.973561 44.00824 5.076833 -0.5635567     7.107077 
1 1 1 -49 1  14 o 78.08023 2.598498 741.0222       48.70031 869.6004       70.34394 622.6656       67.48997 84.60854 3.436451 71.55193 3.898662 13.05662       5.196996 
1 1 1 -49 1  15 o 92.28273 2.556628 1036.761       57.02996 1091.962       80.95003 982.3642       80.35832 94.73508 3.531863 89.83037 3.697476 4.904716       5.113256 
1 1 1 -49 1  16 o 39.53655 4.139470 192.9247       39.58697 193.9993       55.50809 191.8125       56.47324 39.65773 5.785304 39.41537 5.922086 0.2423553      8.278939 
1 1 1 -49 1  17 o 27.37661 5.553710 96.54633       40.37596 59.63298       58.04438 131.1519       56.20071 23.06720 8.233458 31.68603 7.455531 -8.618830      11.10742 
1 1 1 -49 1  18 o 76.66122 2.836089 720.5486       52.55927 684.3887       72.83844 759.8300       75.91717 74.65132 4.032931 78.67112 3.988617 -4.019798      5.672178 
1 1 1 -49 1  19 o 21.52171 6.125556 38.20648       46.72091 15.60976       86.54196 47.50141       55.50436 21.80453 9.300971 21.23889 7.973813 0.5656376      12.25111 
1 1 1 -49 1  20 o 29.75370 5.528129 122.1230       40.51984 135.7507       55.92558 107.0641       58.78902 31.58786 7.440507 27.91954 8.178000 3.668314       11.05626 
1 1 1 -49 3  1  o 187.1549 3.415691 4324.000       135.6244 4410.189       158.4704 4088.043       262.2027 190.8183 3.432621 183.4916 5.906344 7.326736       6.831383 
1 1 1 -49 3  2  o 190.2563 3.448557 4526.732       140.6863 4699.870       166.2091 4089.233       264.2090 196.9864 3.487516 183.5262 5.950414 13.46016       6.897115 
1 1 1 -49 3  3  o 82.34588 3.211722 816.6985       54.40554 812.0005       62.19717 832.0048       112.2652 81.88931 3.139360 82.80244 5.604021 -0.9131317     6.423444 
1 1 1 -49 3  4  o 61.33327 3.550636 446.0078       45.58462 436.2548       52.34470 476.6211       92.73823 60.01391 3.605109 62.65263 6.118109 -2.638714      7.101273 
1 1 1 -49 3  5  o 138.9480 3.058376 2395.611       89.51010 2456.456       104.3419 2226.056       174.1801 142.4352 3.027884 135.4607 5.314751 6.974518       6.116752 
1 1 1 -49 3  6  o 244.0049 3.949213 7543.338       213.4758 8104.200       260.4859 6396.193       372.5337 258.6001 4.163448 229.4098 6.711991 29.19031       7.898425 
1 1 1 -49 3  7  o 105.9661 3.013375 1385.653       66.56785 1410.551       77.04313 1312.314       132.2275 107.9326 2.950386 103.9996 5.255183 3.933067       6.026751 
1 1 1 -49 3  8  o 106.5500 2.913860 1272.350       63.91299 1188.465       72.16174 1577.632       137.6618 99.06632 3.010777 114.0336 4.989743 -14.96732      5.827720 
1 1 1 -49 3  9  o 153.1339 3.114892 2776.948       98.21339 2718.680       111.9233 2972.041       204.7968 149.8213 3.087767 156.4464 5.410721 -6.625061      6.229784 
1 1 1 -49 3  10 o 17.62436 5.428254 -1.784373      36.80056 3.065577       41.43950 -19.88102      80.04699 15.45237 6.506476 19.79634 8.690772 -4.343978      10.85651 
1 1 1 -49 3  11 o 265.0336 4.259126 8567.796       236.3319 8581.420       273.0131 8527.067       472.0397 265.9006 4.243867 264.1666 7.385812 1.734009       8.518252 
1 1 1 -49 3  12 o 175.5120 3.302165 3764.958       121.4276 3785.635       140.4481 3703.748       241.6435 176.6879 3.285541 174.3362 5.729084 2.351654       6.604330 
1 1 1 -49 3  13 o 73.17484 2.660570 649.8441       47.08059 667.0212       67.84351 633.8878       65.38837 74.10516 3.784055 72.24451 3.741049 1.860657       5.321139 
1 1 1 -49 3  14 o 52.22828 3.176819 332.3798       39.99593 371.4923       57.45637 295.6093       55.70962 55.22486 4.300325 49.23169 4.677170 5.993172       6.353638 
1 1 1 -49 3  15 o 89.91042 2.595817 985.0889       56.41975 1019.243       79.23858 949.9683       80.35223 91.50684 3.579158 88.31399 3.760678 3.192856       5.191634 
1 1 1 -49 3  16 o 81.95513 2.672377 819.1781       52.95877 808.1658       73.49252 831.0730       76.38097 81.39124 3.732185 82.51902 3.825858 -1.127777      5.344754 
1 1 1 -49 3  17 o 19.24176 5.075306 15.64310       37.17177 76.00994       52.51229 -44.98438      52.62553 24.61462 7.833570 13.86889 6.455237 10.74573       10.15061 
1 1 1 -49 3  18 o 19.21873 5.501607 24.05046       39.80280 30.05857       55.68779 17.77542       56.91146 19.68970 7.822369 18.74777 7.738299 0.9419289      11.00321 
1 1 1 -49 3  19 o 37.72320 4.970675 187.3147       44.01599 206.3287       60.26625 165.5765       64.43906 40.35266 6.173049 35.09375 7.792556 5.258911       9.941351 
1 1 1 -49 3  20 o 27.51719 5.757027 74.13302       43.32487 192.5045       77.59550 20.51635       52.22314 36.98882 8.798912 18.04557 7.426477 18.94325       11.51405 
1 1 1 -49 5  1  o 108.0842 3.114648 1435.046       68.81641 1451.766       78.80032 1381.321       141.2544 109.4940 2.974647 106.6745 5.473171 2.819481       6.229296 
1 1 1 -49 5  2  o 248.4734 4.054174 7741.239       218.5693 8083.020       260.5376 6929.209       401.5897 258.2469 4.169971 238.6998 6.953896 19.54706       8.108349 
1 1 1 -49 5  3  o 211.6475 3.677192 5480.918       163.2951 5528.769       189.1454 5340.869       323.5888 213.6318 3.659549 209.6633 6.379237 3.968460       7.354384 
1 1 1 -49 5  4  o 113.9601 3.032256 1600.258       71.18781 1624.845       81.87551 1524.093       144.1060 115.8436 2.921325 112.0767 5.314525 3.766884       6.064512 
1 1 1 -49 5  5  o 120.1855 3.079849 1813.948       76.82578 1878.598       89.16204 1627.603       151.3761 124.5590 2.958711 115.8120 5.402584 8.747063       6.159698 
1 1 1 -49 5  6  o 102.8523 3.026910 1310.682       65.16733 1340.363       75.66945 1225.461       128.2195 105.2109 2.972745 100.4938 5.273663 4.717056       6.053819 
1 1 1 -49 5  7  o 120.1397 2.994684 1717.475       74.37144 1688.564       84.98553 1812.017       153.6824 118.0851 2.974730 122.1944 5.198414 -4.109215      5.989367 
1 1 1 -49 5  8  f 276.5612 4.387783 9423.136       257.6966 9564.191       300.9112 9035.099       499.0896 280.8291 4.428880 272.2934 7.575986 8.535767       8.775565 
1 1 1 -49 5  9  o 79.96855 3.330573 793.5677       53.57128 808.1970       61.04513 744.5568       111.7346 81.68114 3.089064 78.25597 5.901573 3.425179       6.661147 
1 1 1 -49 5  10 o 80.45422 3.184780 745.7686       52.18930 714.1470       58.92118 860.9161       112.4365 76.76812 3.172402 84.14033 5.523330 -7.372208      6.369561 
1 1 1 -49 5  11 o 53.48012 4.215714 357.9698       42.69940 364.0217       47.64113 333.2540       96.27712 54.78383 3.594408 52.17641 7.626875 2.607418       8.431429 
1 1 1 -49 5  12 o 72.68455 3.410804 656.1882       49.49748 666.9989       56.21960 618.9173       104.3867 74.16467 3.133202 71.20442 6.059487 2.960251       6.821609 
1 1 1 -49 5  13 o 105.0640 3.160289 1361.633       67.29995 1376.896       76.79829 1311.124       139.7054 106.5358 2.979571 103.5922 5.574215 2.943550       6.320579 
1 1 1 -49 5  14 o 81.63960 3.367095 836.7206       54.57945 854.9651       61.96590 773.5872       115.2701 83.90620 3.052505 79.37300 6.002627 4.533203       6.734190 
1 1 1 -49 5  15 o 122.1324 3.359336 1907.303       92.62463 2093.805       115.7500 1575.253       154.4474 131.1007 3.649333 113.1640 5.641181 17.93672       6.718673 
1 1 1 -49 5  16 o 44.86847 3.883973 248.0801       41.32360 317.7310       60.52498 187.2616       56.55735 50.84900 4.919828 38.88795 6.011346 11.96105       7.767947 
1 1 1 -49 5  17 o 63.46396 3.257593 503.3844       48.44398 654.7070       69.21949 358.1097       67.82214 73.11189 3.913254 53.81603 5.209039 19.29586       6.515185 
1 1 1 -49 5  18 f 67.96468 3.099984 573.4749       50.58601 644.1035       70.88192 500.1636       72.21558 72.35407 4.049209 63.57529 4.695051 8.778786       6.199967 
1 1 1 -49 5  19 o 39.25191 4.873387 215.0590       43.13763 332.3759       60.87014 96.69027       61.14240 51.60538 4.875364 26.89844 8.439813 24.70694       9.746775 
1 1 1 -49 5  20 o 16.91136 7.468587 -6.617983      59.94041 -6.617983      59.94041 0.000000       0.000000 16.91136 7.468587 ?        ?        ?              ?        
1 1 1 -49 7  1  o 81.08083 3.498152 796.8985       56.88830 796.1565       64.42722 799.5241       121.1935 81.06859 3.284842 81.09308 6.177224 -0.2449036E-01 6.996305 
1 1 1 -49 7  2  o 116.7005 3.113233 1663.489       74.48999 1674.284       85.29497 1628.792       152.9119 117.5801 2.998385 115.8210 5.456974 1.759109       6.226466 
1 1 1 -49 7  3  o 106.5987 3.178810 1385.181       68.91441 1391.349       78.59372 1364.664       143.3402 107.1862 3.030725 106.0112 5.588741 1.175064       6.357619 
1 1 1 -49 7  4  o 163.5247 3.303095 3269.649       111.8453 3294.747       128.6870 3192.148       226.1376 164.9307 3.225008 162.1186 5.765507 2.812088       6.606190 
1 1 1 -49 7  5  o 191.9983 3.510712 4539.242       141.7156 4609.561       164.6123 4337.894       278.5480 195.0605 3.488113 188.9362 6.093723 6.124344       7.021424 
1 1 1 -49 7  6  o 181.1453 3.381977 3992.344       128.1267 4003.672       147.9469 3958.358       256.2590 181.7941 3.363751 180.4966 5.868240 1.297485       6.763953 
1 1 1 -49 7  7  o 41.41660 5.536584 214.1574       43.50768 214.7446       48.58228 211.7787       97.77704 42.06785 4.773372 40.76535 9.991496 1.302502       11.07317 
1 1 1 -49 7  8  o 55.86983 4.308681 392.4138       46.37061 401.2356       52.08768 358.7151       101.8040 57.53123 3.742218 54.20843 7.762391 3.322800       8.617361 
1 1 1 -49 7  9  o 81.41078 3.405119 818.9299       54.59646 829.3375       61.62704 780.9637       117.7045 82.73119 3.078929 80.09039 6.074500 2.640800       6.810239 
1 1 1 -49 7  10 o 125.5258 3.088553 1923.873       78.85603 1932.835       89.94910 1894.111       163.9128 126.2931 2.943846 124.7585 5.430509 1.534569       6.177107 
1 1 1 -49 7  11 o 31.25470 5.714727 132.8979       39.25677 145.6676       43.74401 80.05949       88.98205 34.58925 5.227272 27.92014 10.16406 6.669107       11.42945 
1 1 1 -49 7  12 o 63.71420 3.918587 520.5723       47.76525 538.0316       53.71601 454.6104       104.4087 66.58058 3.334677 60.84783 7.092337 5.732754       7.837175 
1 1 1 -49 7  13 o 82.17812 3.485691 817.2184       56.04629 812.1379       62.83207 837.0018       123.9872 81.77949 3.175665 82.57675 6.206072 -0.7972641     6.971383 
1 1 1 -49 7  14 o 113.4745 3.209944 1605.907       73.30200 1633.604       83.55670 1513.385       152.7149 115.9606 2.978301 110.9884 5.687239 4.972214       6.419888 
1 1 1 -49 7  15 o 125.1113 3.269192 1879.115       80.36013 1852.124       90.06229 1984.533       177.9861 123.4030 3.016580 126.8197 5.800924 -3.416618      6.538385 
1 1 1 -49 7  16 o 21.99834 6.340861 34.34795       43.92068 38.20171       48.39154 16.33552       104.6197 19.82521 7.444931 24.17146 10.26641 -4.346251      12.68172 
1 1 1 -49 7  17 o 29.61074 6.170378 128.7475       45.33016 148.7386       49.72424 30.39857       110.2898 33.97077 6.281439 25.25070 10.62251 8.720064       12.34076 
1 1 1 -49 7  18 f 54.45447 3.545086 369.2208       46.69410 362.9504       66.32674 375.3821       65.74793 53.97572 5.079113 54.93321 4.947033 -0.9574890     7.090171 
1 1 1 -49 7  19 o 61.65295 3.458613 474.1663       50.36880 621.7850       74.35069 348.9540       68.47590 70.71240 4.345973 52.59349 5.381500 18.11891       6.917227 
1 1 1 -49 7  20 o 22.02212 8.352685 56.31713       61.26485 56.31713       61.26485 0.000000       0.000000 22.02212 8.352685 ?        ?        ?              ?        
1 1 1 -49 9  1  o 166.4715 3.325997 3324.330       113.0824 3289.853       128.7353 3440.809       236.6198 164.7675 3.229414 168.1754 5.815489 -3.407944      6.651995 
1 1 1 -49 9  2  o 144.0197 3.289752 2525.949       96.33652 2533.097       109.8190 2502.082       200.6717 144.5957 3.139206 143.4437 5.782321 1.151917       6.579503 
1 1 1 -49 9  3  o 226.8394 3.865526 6478.060       188.6276 6774.764       223.7930 5750.149       350.5288 236.3804 3.913207 217.2983 6.667531 19.08205       7.731052 
1 1 1 -49 9  4  o 191.5119 3.761037 4560.473       166.2477 4845.868       209.9666 4080.904       272.1780 199.8666 4.342180 183.1573 6.142236 16.70929       7.522074 
1 1 1 -49 9  5  o 290.2884 4.644783 10138.01       277.2678 10029.47       316.6282 10494.94       574.2006 287.4879 4.552267 293.0888 8.097709 -5.600891      9.289565 
1 1 1 -49 9  6  o 121.3279 3.290027 1821.888       79.47855 1849.558       90.13252 1725.164       168.5189 123.5611 3.015070 119.0947 5.848629 4.466446       6.580054 
1 1 1 -49 9  7  o 60.12883 4.447727 431.3334       49.25310 426.5266       54.12391 454.4914       118.7982 59.30608 3.772139 60.95158 8.056059 -1.645504      8.895454 
1 1 1 -49 9  8  o 54.53506 5.051990 388.0531       48.00706 399.0106       53.06047 338.6080       112.7141 57.35228 3.824002 51.71784 9.352402 5.634438       10.10398 
1 1 1 -49 9  9  o 259.2168 4.227634 8325.588       231.9219 8476.311       270.5915 7908.388       450.1914 264.2015 4.233276 254.2320 7.319218 9.969559       8.455269 
1 1 1 -49 9  10 o 137.5164 3.142706 2214.100       86.93797 2149.761       97.93438 2453.302       188.8354 133.1560 3.039990 141.8769 5.501351 -8.720932      6.285412 
1 1 1 -49 9  11 o 83.57800 3.661491 873.5693       66.43542 903.3853       79.01814 801.6657       122.7091 86.22985 3.787624 80.92616 6.267374 5.303688       7.322983 
1 1 1 -49 9  12 o 93.33791 3.333646 1006.078       61.36101 967.6476       68.47898 1162.641       138.2189 89.26908 3.170691 97.40673 5.865109 -8.137650      6.667293 
1 1 1 -49 9  13 o 64.94426 4.297005 503.6356       50.38231 496.0597       55.05672 542.6532       124.9465 63.84789 3.564195 66.04062 7.820072 -2.192726      8.594010 
1 1 1 -49 9  14 o 68.54074 4.204365 561.7998       52.78054 552.4705       57.88028 607.8525       128.5977 67.33858 3.552747 69.74290 7.621334 -2.404312      8.408730 
1 1 1 -49 9  15 o 21.39870 6.325134 29.26472       44.37465 41.48655       47.76879 -47.68590      119.8622 20.15044 7.430105 22.64695 10.23830 -2.496511      12.65027 
1 1 1 -49 9  16 o 56.55382 5.747390 445.3780       53.73689 461.5917       58.95354 365.7346       130.6601 61.36617 3.970805 51.74147 10.78715 9.624702       11.49478 
1 1 1 -49 9  17 o 58.82454 5.665131 496.1524       53.65654 518.1446       58.75700 385.7228       131.6644 64.97012 3.738037 52.67896 10.69588 12.29115       11.33026 
1 1 1 -49 9  18 o 30.90255 6.435412 144.5472       49.89867 165.1651       55.21701 52.71862       116.5306 35.42051 6.688575 26.38460 10.99641 9.035912       12.87082 
1 1 1 -49 9  19 o 43.85502 6.504443 323.5132       54.31533 356.1757       60.21264 180.8447       125.8425 53.27295 4.671739 34.43708 12.14109 18.83587       13.00889 
1 1 1 -49 9  20 o 17.30674 8.422301 -141.8203      112.7519 -141.8203      112.7519 0.000000       0.000000 17.30674 8.422301 ?        ?        ?              ?        
1 1 1 -49 11 1  o 87.84747 3.643671 952.8586       60.75608 961.6343       67.68835 916.4783       137.8187 89.06343 3.141320 86.63150 6.575520 2.431931       7.287342 
1 1 1 -49 11 2  o 103.2090 3.618262 1342.855       71.43424 1374.865       80.09058 1218.323       157.9716 106.5025 3.108274 99.91544 6.534976 6.587051       7.236525 
1 1 1 -49 11 3  o 78.38972 3.767057 715.5158       56.57409 696.1167       62.66060 801.0708       131.5911 75.76957 3.418200 81.00988 6.714075 -5.240311      7.534115 
1 1 1 -49 11 4  o 67.95454 4.308864 514.2746       52.48158 492.6550       56.88801 637.8347       135.9990 63.73044 3.689534 72.17864 7.787976 -8.448200      8.617728 
1 1 1 -49 11 5  o 181.9489 3.542415 4044.975       131.2808 4062.186       149.8337 3988.102       272.3726 183.0371 3.383513 180.8606 6.224681 2.176498       7.084830 
1 1 1 -49 11 6  o 227.9756 3.927070 6359.725       185.7817 6390.427       213.8685 6265.318       375.0239 229.4838 3.852055 226.4674 6.844646 3.016373       7.854139 
1 1 1 -49 11 7  o 79.38203 4.313814 848.6120       61.33274 894.9042       68.15199 651.3980       140.6673 85.90608 3.279082 72.85799 7.980199 13.04810       8.627627 
1 1 1 -49 11 8  o 44.61328 5.939229 270.6166       45.33438 280.6407       49.49805 218.4414       112.9274 48.05808 4.257154 41.16849 11.08938 6.889591       11.87846 
1 1 1 -49 11 9  o 192.2387 3.589980 4368.606       138.3406 4266.768       155.8412 4747.174       300.4677 187.4923 3.435551 196.9851 6.304666 -9.492767      7.179960 
1 1 1 -49 11 10 o 48.71274 5.096927 221.7601       45.74657 190.6937       49.26818 416.0619       123.2138 39.52769 5.151845 57.89779 8.796200 -18.37010      10.19385 
1 1 1 -49 11 11 f 117.1699 3.464712 1697.866       77.91449 1711.855       87.10583 1641.880       174.2638 118.7391 3.032155 115.6008 6.230806 3.138275       6.929423 
1 1 1 -49 11 12 o 47.48747 6.456400 353.2929       51.03363 382.3286       55.59629 197.8584       128.6334 55.99142 4.104139 38.98352 12.24322 17.00790       12.91280 
1 1 1 -49 11 13 o 60.40107 4.905744 466.9364       51.84040 473.4798       56.67706 433.4325       128.2488 62.30973 3.759665 58.49241 9.062572 3.817314       9.811487 
1 1 1 -49 11 14 o 21.87048 6.702054 -7.599067      45.68555 -18.76595      49.07364 64.99702       125.1235 14.87446 6.651670 28.86649 11.63724 -13.99202      13.40411 
1 1 1 -49 11 15 o 84.42694 4.186466 923.4026       64.25393 944.2739       71.07822 830.1011       150.2821 87.94955 3.340416 80.90434 7.677734 7.045212       8.372931 
1 1 1 -49 11 16 o 45.56871 6.515607 247.1238       50.81740 234.7682       54.68676 325.2826       137.5435 43.46353 5.200618 47.67389 11.94848 -4.210358      13.03121 
1 1 1 -49 11 17 o 31.20514 6.269221 150.5922       51.46423 179.4917       56.31678 4.243902       126.7322 37.62798 6.186209 24.78230 10.90612 12.84568       12.53844 
1 1 1 -49 11 18 o 36.10471 7.221213 169.8882       53.23713 160.2015       58.05782 221.0589       133.4392 34.47276 7.193734 37.73667 12.52333 -3.263916      14.44243 
1 1 1 -49 11 19 o 27.89875 7.428739 88.24944       52.81173 76.02611       57.25970 157.8822       136.6662 23.80617 8.202140 31.99134 12.38828 -8.185163      14.85748 
1 1 1 -49 13 1  o 112.0264 3.578121 1535.540       86.48392 1542.174       101.6454 1518.144       164.5976 112.6674 3.728957 111.3853 6.107919 1.282066       7.156242 
1 1 1 -49 13 2  o 77.55143 2.961896 731.1125       55.56818 722.0335       77.98195 740.4780       79.20283 77.06297 4.182597 78.03989 4.194901 -0.9769287     5.923792 
1 1 1 -49 13 3  o 112.2529 2.681440 1528.624       72.77696 1459.732       101.0996 1602.718       104.8470 109.6286 3.811740 114.8772 3.772417 -5.248566      5.362881 
1 1 1 -49 13 4  o 79.26244 2.923177 763.5632       56.05225 764.1413       79.76797 762.9993       78.78095 79.28989 4.158229 79.23499 4.109622 0.5490112E-01  5.846355 
1 1 1 -49 13 5  o 136.2984 2.732012 2251.159       89.95455 2158.790       123.1532 2356.805       131.7071 133.3152 3.818244 139.2816 3.908526 -5.966415      5.464025 
1 1 1 -49 13 6  o 111.0579 2.707269 1498.561       72.73459 1505.366       102.2913 1491.602       103.4428 111.3167 3.798186 110.7991 3.858886 0.5176315      5.414538 
1 1 1 -49 13 7  o 123.2505 3.803487 1846.099       113.4156 0.000000       0.000000 1846.099       113.4156 ?        ?        123.2505 3.803487 ?              ?        
1 1 1 -49 13 8  o 41.36131 4.814211 218.0079       45.92228 167.4629       66.04546 265.3160       63.89568 36.15570 7.780845 46.56693 5.671417 -10.41123      9.628422 
1 1 1 -49 13 9  o 121.9630 2.709178 1804.016       79.80685 1686.474       109.3521 1937.972       116.7374 117.7249 3.839340 126.2010 3.823357 -8.476143      5.418356 
1 1 1 -49 13 10 o 111.1050 2.702364 1502.803       72.62730 1472.236       101.5644 1534.790       103.8963 109.9499 3.818073 112.2600 3.825362 -2.310097      5.404727 
1 1 1 -49 13 11 o 75.73601 4.396910 701.0063       80.56609 701.0063       80.56609 0.000000       0.000000 75.73601 4.396910 ?        ?        ?              ?        
1 1 1 -49 13 12 o 55.28146 3.745032 376.1820       50.01380 373.3482       72.57503 378.7450       69.01926 55.05586 5.448555 55.50707 5.139486 -0.4512100     7.490065 
1 1 1 -49 13 13 o 58.17731 3.707681 423.8978       51.32957 364.4765       75.99515 473.7487       69.60676 54.24697 5.790393 62.10764 4.632378 -7.860676      7.415361 
1 1 1 -49 13 14 o 65.30817 5.805234 622.3428       69.69064 688.4388       80.44064 423.4384       139.5437 74.81734 4.443969 55.79901 10.72633 19.01833       11.61047 
1 1 1 -49 13 15 o 82.27087 4.748053 866.5633       79.24691 876.0507       90.69241 835.9310       162.9630 84.25156 4.449290 80.29018 8.389270 3.961380       9.496106 
1 1 1 -49 13 16 o 48.50430 6.588254 337.5588       55.22395 346.6929       60.40039 291.0172       136.3412 52.80454 4.727878 44.20406 12.29909 8.600475       13.17651 
1 1 1 -49 13 17 o 25.96646 6.158513 92.29223       56.81234 145.7784       61.35233 -229.5063      150.4881 32.60151 7.868323 19.33141 9.476213 13.27010       12.31703 
1 1 1 -49 13 18 o 53.37536 6.612734 409.4342       59.17340 411.0443       64.54539 400.9518       148.1516 57.06146 4.675413 49.68926 12.37148 7.372200       13.22547 
1 1 1 -49 13 19 o 30.14600 7.655445 107.9079       55.20703 82.96581       60.06480 243.6645       140.1310 24.18344 8.396731 36.10856 12.80306 -11.92511      15.31089 
1 1 1 -49 15 1  o 107.2538 2.799078 1401.520       72.62277 1407.496       102.0092 1395.378       103.4134 107.4925 3.922466 107.0151 3.994197 0.4773941      5.598156 
1 1 1 -49 15 2  o 15.22132 4.879432 -34.42974      38.87045 -12.26045      58.25194 -52.22419      52.18873 16.93330 7.424320 13.50935 6.333631 3.423953       9.758863 
1 1 1 -49 15 3  o 43.69881 4.361452 233.3539       45.98230 254.2598       68.09457 215.8305       62.34300 45.48579 6.187774 41.91183 6.148211 3.573959       8.722903 
1 1 1 -49 15 4  o 143.5610 3.977427 2509.393       138.1468 0.000000       0.000000 2509.393       138.1468 ?        ?        143.5610 3.977427 ?              ?        
1 1 1 -49 15 5  o 87.89124 2.867045 938.5365       60.68243 1071.126       88.14180 819.0629       83.66866 93.80253 3.883873 81.97994 4.218450 11.82259       5.734090 
1 1 1 -49 15 6  o 45.73568 4.066105 258.0475       44.61177 244.6559       66.52521 268.9911       60.13829 44.60303 6.164808 46.86834 5.303582 -2.265305      8.132210 
1 1 1 -49 15 7  o 48.20093 4.109359 287.9783       47.14775 269.7408       72.13483 301.5800       62.29593 46.78128 6.373393 49.62058 5.189141 -2.839302      8.218718 
1 1 1 -49 15 8  o 100.6612 2.796826 1235.217       68.07367 1230.639       94.59778 1240.135       98.03564 100.4804 3.891322 100.8421 4.018278 -0.3616638     5.593652 
1 1 1 -49 15 9  o 66.46376 3.332469 540.1464       53.54126 511.6870       74.23427 571.0018       77.29605 64.63590 4.747099 68.29162 4.678296 -3.655716      6.664938 
1 1 1 -49 15 10 o 62.48500 3.495181 479.4510       52.71049 523.7520       75.32085 436.9319       73.79048 65.34696 4.764173 59.62304 5.115450 5.723919       6.990363 
1 1 1 -49 15 11 o 24.59671 5.853768 61.76596       44.78290 118.8261       65.73152 12.33682       61.17848 30.16348 8.592100 19.02993 7.952497 11.13355       11.70754 
1 1 1 -49 15 12 o 123.3651 2.782449 1854.237       82.84050 1719.865       112.5999 2012.783       122.3099 118.5202 3.926841 128.2100 3.943095 -9.689873      5.564897 
1 1 1 -49 15 13 o 82.84554 3.078058 843.5431       61.59823 779.8416       85.54178 912.1498       88.77422 79.57172 4.443419 86.11936 4.260727 -6.547646      6.156116 
1 1 1 -49 15 14 o 81.93489 3.220411 828.0621       63.74619 883.8250       93.05295 778.7514       87.50415 84.52826 4.550152 79.34152 4.558540 5.186737       6.440821 
1 1 1 -49 15 15 o 52.91525 4.190341 359.3756       52.62765 318.7294       79.46265 391.1352       70.24101 49.94215 6.576480 55.88835 5.194780 -5.946198      8.380682 
1 1 1 -49 15 16 f 28.72870 5.988164 95.86999       49.73471 197.7596       77.56471 24.73072       64.81178 37.60219 8.698930 19.85521 8.231709 17.74698       11.97633 
1 1 1 -49 15 17 o 44.32815 5.361022 263.7050       54.77003 365.8849       82.76083 184.0825       73.05670 52.80291 6.478354 35.85339 8.543605 16.94952       10.72204 
1 1 1 -49 15 18 o 44.49018 7.328428 240.1527       57.98573 208.6191       62.22078 448.4236       159.9055 39.36214 6.533629 49.61823 13.12003 -10.25609      14.65686 
1 1 1 -49 17 1  o 103.2938 2.849518 1303.119       71.14911 1229.129       99.45641 1380.675       101.8255 100.2741 4.099603 106.3135 3.958820 -6.039391      5.699036 
1 1 1 -49 17 2  o 130.0684 2.791046 2064.484       87.80181 2015.652       122.3177 2116.390       126.1101 128.4864 3.934866 131.6504 3.959366 -3.164001      5.582091 
1 1 1 -49 17 3  o 32.66160 5.606874 136.8030       45.60349 200.6898       66.58392 80.35497       62.58759 39.56248 7.222523 25.76073 8.578072 13.80175       11.21375 
1 1 1 -49 17 4  o 46.48991 4.311350 266.6566       48.42644 276.0511       70.75181 258.3764       66.42358 47.24369 6.190011 45.73612 6.002894 1.507576       8.622701 
1 1 1 -49 17 5  o 48.03941 4.259025 284.2362       49.41230 301.2973       72.56734 269.4879       67.46986 49.37026 6.075380 46.70856 5.970504 2.661694       8.518049 
1 1 1 -49 17 6  o 86.54984 3.039918 917.0479       63.58637 869.5168       89.99926 964.4219       89.85035 84.28286 4.413644 88.81680 4.181406 -4.533943      6.079837 
1 1 1 -49 17 7  o 160.4339 2.935210 3142.893       113.8393 3288.178       164.9061 3010.624       157.3461 163.9678 4.156960 156.8999 4.145060 7.067902       5.870421 
1 1 1 -49 17 8  o 53.75701 4.134929 357.6693       53.77271 350.6652       75.65768 364.8192       76.44057 53.21930 5.875996 54.29472 5.819210 -1.075417      8.269857 
1 1 1 -49 17 9  o 64.07585 3.582541 507.3784       55.38522 538.0036       77.29404 475.0603       79.40152 66.12222 4.831660 62.02948 5.290886 4.092735       7.165083 
1 1 1 -49 17 10 o 91.43387 2.982359 1025.288       65.90950 1010.673       90.96155 1041.444       95.63412 90.77158 4.141958 92.09616 4.292092 -1.324585      5.964719 
1 1 1 -49 17 11 o 58.33850 3.787899 422.6516       53.39292 421.0743       77.41833 424.0824       73.73431 58.19440 5.498703 58.48259 5.211235 -0.2881851     7.575798 
1 1 1 -49 17 12 o 50.79369 4.201746 323.7032       51.57886 323.7923       74.67290 323.6219       71.32899 50.75737 6.080812 50.83000 5.800209 -0.7262421E-01 8.403493 
1 1 1 -49 17 13 f 41.48999 5.240845 225.1866       51.02019 270.3646       73.86182 183.9593       70.55839 46.05779 6.628490 36.92219 8.119665 9.135601       10.48169 
1 1 1 -49 17 14 o 83.48346 3.227963 868.4595       65.17078 897.8354       92.28152 839.2310       92.04972 84.93109 4.491028 82.03583 4.637849 2.895264       6.455925 
1 1 1 -49 17 15 o 30.37704 5.939509 128.2034       51.46883 40.70921       74.74669 207.0916       70.97549 21.92297 8.937382 38.83112 7.825234 -16.90814      11.87902 
1 1 1 -49 17 16 o 23.81487 6.569876 63.99320       54.19382 44.74935       70.69824 91.41251       84.38997 21.53845 8.724847 26.09129 9.824976 -4.552841      13.13975 
1 1 1 -49 17 17 o 17.67902 5.741235 -25.87498      56.63644 -1.998287      76.59270 -54.68127      84.12868 18.50706 8.290625 16.85098 7.944347 1.656080       11.48247 
1 1 1 -49 19 1  o 35.89936 5.914608 172.3491       50.24006 160.4063       75.59978 181.7950       67.23405 34.59335 8.960941 37.20536 7.722167 -2.612011      11.82922 
1 1 1 -49 19 2  o 37.00129 5.534675 184.0153       48.57645 132.2589       73.00232 225.1405       65.07417 31.56347 9.075379 42.43911 6.337822 -10.87564      11.06935 
1 1 1 -49 19 3  o 32.49279 6.176620 140.8837       49.54210 131.5653       74.46251 148.2849       66.36140 31.51796 9.195761 33.46762 8.248668 -1.949661      12.35324 
1 1 1 -49 19 4  o 107.2657 2.916648 1410.933       75.67166 1412.046       108.2750 1409.871       105.7997 107.2906 4.171232 107.2408 4.077765 0.4978943E-01  5.833296 
1 1 1 -49 19 5  o 63.01005 3.745914 491.6027       57.01681 484.8896       82.60876 497.7102       78.79432 62.55547 5.458313 63.46463 5.131695 -0.9091606     7.491827 
1 1 1 -49 19 6  o 76.73997 3.377516 726.3039       62.64431 720.4271       90.42918 731.7264       86.86326 76.40606 4.891910 77.07389 4.658290 -0.6678314     6.755031 
1 1 1 -49 19 7  o 87.64748 3.187180 943.3869       67.49100 1007.806       98.37132 886.0967       92.76832 90.47117 4.494237 84.82379 4.520430 5.647377       6.374359 
1 1 1 -49 19 8  o 52.59875 4.140701 344.7366       52.63251 366.4468       76.45355 325.1783       72.56577 54.17583 5.832971 51.02168 5.878611 3.154148       8.281402 
1 1 1 -49 19 9  o 47.50516 4.963081 298.2029       53.37969 213.1018       76.76886 377.8616       74.27353 39.99187 8.209373 55.01844 5.579863 -15.02657      9.926162 
1 1 1 -49 19 10 o 41.04042 5.563406 231.9308       52.61982 163.6803       79.45934 285.2392       70.22468 34.51335 9.304338 47.56749 6.102070 -13.05414      11.12681 
1 1 1 -49 19 11 o 46.77520 4.826974 280.9792       52.61580 348.5374       77.81708 224.0807       71.41449 52.44527 6.132905 41.10513 7.455615 11.34015       9.653949 
1 1 1 -49 19 12 o 46.14239 4.950600 275.5047       55.23596 288.3253       79.16925 263.3447       77.10263 47.21827 6.930174 45.06651 7.071524 2.151764       9.901200 
1 1 1 -49 19 13 o 23.20444 6.416294 56.08443       53.01422 31.25226       80.51125 75.09302       70.44077 21.79848 9.117322 24.61040 9.030490 -2.811922      12.83259 
1 1 1 -49 19 14 o 27.35112 6.522765 87.49959       55.43192 23.48869       72.43925 177.9405       86.10523 20.23475 8.565715 34.46750 9.839429 -14.23275      13.04553 
1 1 1 -49 19 15 o 18.46581 5.903897 -13.78076      56.67981 2.330962       77.93410 -31.87176      82.58244 19.09540 8.470428 17.83623 8.226534 1.259171       11.80779 
1 1 1 -49 19 16 o 27.34279 6.999992 120.3370       59.54758 121.3986       81.99603 119.1522       86.62011 27.47039 9.787897 27.21518 10.00983 0.2552071      13.99998 
1 1 1 -49 21 1  o 26.30779 6.556104 86.67802       51.79911 79.33162       78.80991 92.26541       68.73023 25.91520 9.545448 26.70038 8.989683 -0.7851830     13.11221 
1 1 1 -49 21 2  o 31.22025 6.381314 130.1732       51.99165 172.4178       76.38078 93.70034       70.97146 35.46214 8.912892 26.97836 9.134826 8.483778       12.76263 
1 1 1 -49 21 3  f 76.45348 3.493023 727.2503       64.59808 720.5308       91.96508 733.7947       90.75784 76.08060 4.996279 76.82636 4.882830 -0.7457581     6.986045 
1 1 1 -49 21 4  o 75.48862 3.539234 710.0665       64.47900 697.5248       94.03173 721.1974       88.58588 74.77542 5.197724 76.20183 4.805037 -1.426407      7.078469 
1 1 1 -49 21 5  o 77.73531 3.415989 750.1166       64.18131 798.1943       92.30729 705.1210       89.29958 80.17460 4.758794 75.29601 4.902021 4.878593       6.831978 
1 1 1 -49 21 6  o 25.91642 5.927178 66.63299       53.30125 -47.12762      79.21907 160.7321       72.04877 17.53687 8.077239 34.29596 8.676634 -16.75909      11.85436 
1 1 1 -49 21 7  o 41.43436 5.613440 224.7796       54.70464 297.8386       81.77772 165.6088       73.59564 48.14864 7.020187 34.72009 8.761268 13.42854       11.22688 
1 1 1 -49 21 8  o 59.62271 4.015685 451.2542       57.52369 403.0240       82.76942 496.3138       80.00266 56.34586 6.071634 62.89956 5.257201 -6.553696      8.031369 
1 1 1 -49 21 9  o 63.91801 3.906357 518.0342       59.94401 445.8553       84.56766 590.9205       84.98112 59.23442 5.901031 68.60159 5.120189 -9.367176      7.812714 
1 1 1 -49 21 10 o 41.18041 5.827300 234.1115       55.87518 221.9738       81.90657 244.6769       76.41755 39.85960 8.734674 42.50122 7.715902 -2.641621      11.65460 
1 1 1 -49 21 11 o 39.22291 6.240692 218.6336       57.78816 214.0633       82.30547 223.0772       81.15624 38.72006 8.963078 39.72577 8.686091 -1.005707      12.48138 
1 1 1 -49 21 12 o 52.38909 5.261825 376.5954       61.81494 250.9826       85.42458 514.6679       89.56110 41.79720 8.729250 62.98098 5.877703 -21.18378      10.52365 
1 1 1 -49 21 13 o 32.64603 6.856241 161.4097       58.56254 125.7379       78.11974 207.1761       88.48532 28.77278 9.583658 36.51928 9.807429 -7.746500      13.71248 
1 1 1 -49 21 14 o 39.80479 6.869251 255.1439       65.30798 265.3419       86.08326 241.3146       100.2446 41.75048 8.799695 37.85910 10.55044 3.891376       13.73850 
1 1 1 -49 23 7  o 38.25658 7.944173 251.8298       96.54342 358.1202       116.2486 15.56217       173.3177 49.37195 10.07321 27.14120 12.28698 22.23075       15.88835 
1 1 1 -49 23 8  o 45.45681 8.971674 350.3019       99.21449 359.1910       117.4367 328.1380       185.4375 49.03214 10.23052 41.88149 14.74110 7.150642       17.94335 
1 1 1 -49 23 9  o 28.32669 8.330502 101.0750       95.02081 136.3474       111.1568 5.348007       183.1200 30.07085 11.28526 26.58254 12.25691 3.488314       16.66100 
1 1 1 -49 23 10 o 44.27861 9.151606 359.8678       102.7033 368.5901       122.1657 338.8459       189.6576 48.21458 10.74732 40.34264 14.81562 7.871933       18.30321 
1 1 1 -49 23 11 o 36.67311 8.049562 275.0927       99.48209 352.6472       112.8395 4.459250       210.7891 47.05152 10.20618 26.29470 12.45053 20.75682       16.09912 
1 1 1 -49 23 12 o 31.78393 9.139063 177.5105       98.05090 126.4723       113.4189 328.4949       195.0760 27.45712 11.07589 36.11074 14.54010 -8.653627      18.27813 
1 1 1 -48 0  1  o 34.09035 5.661095 162.0932       57.37223 162.0932       57.37223 162.0932       57.37223 34.09035 8.005998 34.09035 8.005998 0.000000       0.000000 
1 1 1 -48 0  2  o 202.4159 3.080348 4967.659       213.1118 4967.659       213.1118 4967.659       213.1118 202.4159 4.356269 202.4159 4.356269 0.000000       0.000000 
1 1 1 -48 0  3  o 82.01569 2.787179 819.9079       77.80123 819.9079       77.80123 819.9079       77.80123 82.01569 3.941667 82.01569 3.941667 0.000000       0.000000 
1 1 1 -48 0  4  o 247.6973 3.496920 7439.118       296.0967 7439.118       296.0967 7439.118       296.0967 247.6973 4.945392 247.6973 4.945392 0.000000       0.000000 
1 1 1 -48 0  5  o 38.46564 4.838943 195.4179       57.67696 195.4179       57.67696 195.4179       57.67696 38.46564 6.843299 38.46564 6.843299 0.000000       0.000000 
1 1 1 -48 0  6  o 25.22798 6.389450 102.0211       50.40001 102.0211       50.40001 102.0211       50.40001 25.22798 9.036047 25.22798 9.036047 0.000000       0.000000 
1 1 1 -48 0  7  o 35.47415 4.846226 168.4806       52.49629 168.4806       52.49629 168.4806       52.49629 35.47415 6.853599 35.47415 6.853599 0.000000       0.000000 
1 1 1 -48 0  8  o 137.9618 2.567816 2308.806       121.0207 2308.806       121.0207 2308.806       121.0207 137.9618 3.631440 137.9618 3.631440 0.000000       0.000000 
1 1 1 -48 0  9  o 84.02731 2.566278 859.5140       73.46738 859.5140       73.46738 859.5140       73.46738 84.02731 3.629266 84.02731 3.629266 0.000000       0.000000 
1 1 1 -48 0  10 o 88.83765 2.577036 960.3218       78.03158 960.3218       78.03158 960.3218       78.03158 88.83765 3.644480 88.83765 3.644480 0.000000       0.000000 
1 1 1 -48 0  11 o 85.56220 2.592405 891.3815       75.57613 891.3815       75.57613 891.3815       75.57613 85.56220 3.666215 85.56220 3.666215 0.000000       0.000000 
1 1 1 -48 0  12 o 223.2912 3.243901 6051.189       247.5955 6051.189       247.5955 6051.189       247.5955 223.2912 4.587569 223.2912 4.587569 0.000000       0.000000 
1 1 1 -48 0  13 o 19.95025 6.368910 70.30128       46.70201 70.30128       46.70201 70.30128       46.70201 19.95025 9.006999 19.95025 9.006999 0.000000       0.000000 
1 1 1 -48 0  14 o 8.378337 4.129319 -40.30449      42.74095 -40.30449      42.74095 -40.30449      42.74095 8.378337 5.839738 8.378337 5.839738 0.000000       0.000000 
1 1 1 -48 0  15 o 111.1795 2.509325 1503.846       95.23482 1503.846       95.23482 1503.846       95.23482 111.1795 3.548722 111.1795 3.548722 0.000000       0.000000 
1 1 1 -48 0  16 f 55.03268 3.285125 376.2468       60.84291 376.2468       60.84291 376.2468       60.84291 55.03268 4.645869 55.03268 4.645869 0.000000       0.000000 
1 1 1 -48 0  17 o 76.30582 2.810822 713.8558       72.93044 713.8558       72.93044 713.8558       72.93044 76.30582 3.975102 76.30582 3.975102 0.000000       0.000000 
1 1 1 -48 0  18 f 55.76899 3.335638 387.8114       62.60088 387.8114       62.60088 387.8114       62.60088 55.76899 4.717305 55.76899 4.717305 0.000000       0.000000 
1 1 1 -48 0  19 o 46.24123 3.826892 273.1318       58.37834 273.1318       58.37834 273.1318       58.37834 46.24123 5.412043 46.24123 5.412043 0.000000       0.000000 
1 1 1 -48 0  20 o 16.52452 6.377001 50.18959       51.25511 50.18959       51.25511 50.18959       51.25511 16.52452 9.018441 16.52452 9.018441 0.000000       0.000000 
1 1 1 -48 2  1  o 103.0598 3.077220 1300.373       66.18985 1313.527       76.48897 1261.154       132.0719 104.1569 3.035347 101.9627 5.353859 2.194260       6.154440 
1 1 1 -48 2  2  o 290.4901 4.605624 9989.757       271.4091 9780.983       307.3387 10729.33       578.4561 284.0803 4.471714 296.9000 8.053003 -12.81970      9.211247 
1 1 1 -48 2  3  o 106.9827 3.079405 1443.799       68.44134 1503.115       79.58947 1275.431       134.0902 111.4248 2.952374 102.5406 5.405037 8.884171       6.158810 
1 1 1 -48 2  4  o 385.0696 5.785033 18020.20       465.3734 17991.19       536.5783 18108.27       934.8806 385.0514 5.759863 385.0878 10.03446 -0.3646851E-01 11.57007 
1 1 1 -48 2  5  o 257.3243 4.144222 8090.748       225.0157 8148.896       261.2920 7923.855       442.6613 259.3324 4.164540 255.3161 7.166234 4.016266       8.288445 
1 1 1 -48 2  6  o 235.3691 3.905548 6648.927       190.3368 6582.594       218.0337 6861.392       390.2151 233.1042 3.866084 237.6340 6.787240 -4.529861      7.811097 
1 1 1 -48 2  7  o 227.3015 3.782270 6415.252       184.8374 6600.820       218.1435 5942.891       348.0391 233.4211 3.862779 221.1818 6.503938 12.23936       7.564540 
1 1 1 -48 2  8  o 133.3961 2.988293 2195.604       83.89883 2237.360       97.59207 2077.335       164.2442 135.9345 2.967445 130.8578 5.187857 5.076645       5.976587 
1 1 1 -48 2  9  o 143.9456 3.051139 2558.354       92.72770 2609.186       108.0640 2416.419       180.5748 146.7854 3.042959 141.1058 5.289443 5.679565       6.102278 
1 1 1 -48 2  10 o 233.6076 3.883132 6598.808       189.0704 6570.754       217.5803 6685.307       382.0628 232.8325 3.862545 234.3827 6.737626 -1.550156      7.766264 
1 1 1 -48 2  11 o 173.6822 3.267099 3675.544       118.6960 3689.582       137.1078 3633.552       237.1353 174.4962 3.247684 172.8681 5.669947 1.628159       6.534199 
1 1 1 -48 2  12 o 175.9347 2.814426 3751.048       119.7133 3613.155       165.6410 3901.837       173.2130 172.5560 3.967669 179.3134 3.992689 -6.757385      5.628851 
1 1 1 -48 2  13 o 43.35265 3.580630 229.7340       37.06741 277.6261       53.22606 184.6329       51.65186 47.78170 4.604266 38.92361 5.484923 8.858082       7.161260 
1 1 1 -48 2  14 o 53.03879 3.160645 346.6074       39.92649 411.9977       56.08220 279.4029       56.85490 58.20765 3.982380 47.86993 4.909111 10.33772       6.321290 
1 1 1 -48 2  15 o 73.01897 2.726905 648.4351       48.14272 618.7408       66.89401 680.3406       69.34003 71.28403 3.878757 74.75389 3.833964 -3.469856      5.453809 
1 1 1 -48 2  16 o 44.09644 3.765061 239.1768       40.06908 218.7555       56.35891 260.0498       56.97865 42.16493 5.524702 46.02794 5.116680 -3.863007      7.530122 
1 1 1 -48 2  17 o 69.09409 2.956891 584.8248       49.29451 530.3961       69.05981 641.3625       70.38500 65.78303 4.339196 72.40516 4.017985 -6.622131      5.913783 
1 1 1 -48 2  18 o 19.05775 5.021443 14.08224       36.91219 76.68407       51.84893 -50.25285      52.56180 24.57533 7.779999 13.54018 6.350684 11.03516       10.04289 
1 1 1 -48 2  19 f 44.16316 3.862761 243.8748       41.25331 253.5877       59.31802 234.7765       57.41072 45.01850 5.446196 43.30782 5.479291 1.710682       7.725522 
1 1 1 -48 2  20 o 45.83863 3.820077 267.4174       41.69814 321.4941       59.21115 214.2124       58.73190 50.66751 4.830272 41.00974 5.919496 9.657772       7.640154 
1 1 1 -48 4  1  o 288.1739 4.567391 9939.512       270.5297 9808.940       308.6444 10372.40       561.9819 284.4661 4.484620 291.8818 7.958167 -7.415710      9.134782 
1 1 1 -48 4  2  o 169.0083 3.289313 3544.733       117.4621 3636.169       137.1658 3293.278       227.4662 173.2833 3.271801 164.7333 5.707332 8.549988       6.578626 
1 1 1 -48 4  3  o 222.5811 3.773214 6028.119       175.8112 6046.688       203.1123 5972.635       351.0890 223.4215 3.757585 221.7406 6.544397 1.680908       7.546429 
1 1 1 -48 4  4  o 140.2290 3.017850 2351.046       87.71426 2321.767       100.4595 2444.973       179.9317 138.4790 2.998504 141.9790 5.238190 -3.499985      6.035699 
1 1 1 -48 4  5  o 338.8557 5.153288 14133.20       371.7277 14328.90       434.5196 13599.05       717.8740 343.7094 5.225353 334.0020 8.883759 9.707336       10.30658 
1 1 1 -48 4  6  o 257.3263 4.123659 8229.062       228.6681 8474.776       270.3244 7610.946       428.7497 264.4480 4.225155 250.2046 7.082819 14.24338       8.247318 
1 1 1 -48 4  7  o 280.8401 4.399689 9833.072       267.6355 10174.10       317.8271 9001.785       496.2146 289.6980 4.534644 271.9823 7.540958 17.71570       8.799377 
1 1 1 -48 4  8  o 165.2187 3.215956 3411.375       113.3292 3534.448       133.4018 3092.207       214.8276 170.8327 3.227664 159.6047 5.563423 11.22800       6.431911 
1 1 1 -48 4  9  o 83.55756 3.153694 834.1652       53.80068 823.6069       61.20065 870.0773       112.8697 82.46519 3.067489 84.64994 5.511230 -2.184753      6.307388 
1 1 1 -48 4  10 o 137.6285 3.083619 2296.418       87.39841 2295.358       100.0991 2299.822       179.2764 137.6600 3.005522 137.5971 5.385320 0.6291199E-01  6.167238 
1 1 1 -48 4  11 o 100.2844 3.015065 1215.233       61.58656 1210.780       70.14219 1230.220       128.6764 99.97115 2.900029 100.5976 5.286994 -0.6264801     6.030130 
1 1 1 -48 4  12 o 91.66986 3.050144 1022.241       57.50398 1023.759       65.85781 1017.371       117.9701 91.90889 2.961743 91.43082 5.333066 0.4780655      6.100288 
1 1 1 -48 4  13 o 72.59558 3.369832 638.8698       49.07023 636.8488       55.55370 646.0440       104.6675 72.45907 3.168968 72.73209 5.948169 -0.2730255     6.739665 
1 1 1 -48 4  14 o 99.59551 3.006457 1200.877       61.48865 1194.810       70.27032 1220.702       127.0247 99.23071 2.927005 99.96031 5.252408 -0.7295990     6.012915 
1 1 1 -48 4  15 o 83.32818 2.645930 843.3839       53.22818 925.1566       77.22562 769.3773       73.46698 87.17807 3.661439 79.47829 3.820686 7.699783       5.291860 
1 1 1 -48 4  16 o 127.1809 2.576617 1971.928       79.27763 2000.201       112.6655 1944.202       111.5735 128.0860 3.635691 126.2758 3.652066 1.810165       5.153235 
1 1 1 -48 4  17 o 22.84975 5.194485 51.33030       38.95119 114.3277       53.84225 -17.84029      56.41862 29.57323 7.510967 16.12626 7.177469 13.44697       10.38897 
1 1 1 -48 4  18 o 20.82111 4.997602 26.92157       37.36119 -45.41914      52.21313 102.8243       53.48315 13.71729 6.399762 27.92493 7.677704 -14.20764      9.995204 
1 1 1 -48 4  19 o 45.62900 5.026359 239.5187       51.05259 185.4900       60.62752 371.2076       94.65248 37.57350 6.924517 53.68450 7.287537 -16.11100      10.05272 
1 1 1 -48 4  20 o 30.90221 5.668263 122.7805       44.47875 199.7621       69.75172 70.02663       57.74154 38.27473 7.797277 23.52969 8.229174 14.74505       11.33653 
1 1 1 -48 6  1  o 94.73157 3.090152 1083.321       60.84373 1078.985       69.92072 1096.847       123.4827 94.39400 3.061675 95.06913 5.368640 -0.6751251     6.180303 
1 1 1 -48 6  2  o 199.7820 3.571211 4953.474       151.7354 5083.936       177.8438 4604.402       290.9079 204.8638 3.588156 194.7003 6.175705 10.16344       7.142423 
1 1 1 -48 6  3  o 158.1409 3.239609 2946.807       103.7587 2879.327       117.3484 3188.579       222.1237 154.2001 3.145504 162.0818 5.664457 -7.881729      6.479218 
1 1 1 -48 6  4  o 311.5378 4.818032 11943.21       318.8633 12107.51       372.2838 11490.78       617.7884 315.9766 4.869865 307.0991 8.314936 8.877472       9.636065 
1 1 1 -48 6  5  o 64.94587 3.651371 477.5625       47.43322 453.3847       53.06985 573.5872       105.7623 61.17903 3.585444 68.71271 6.361968 -7.533676      7.302742 
1 1 1 -48 6  6  f 52.48319 4.639850 376.8159       45.39724 408.1236       52.00845 276.6211       93.04024 58.04102 3.703706 46.92536 8.508549 11.11567       9.279700 
1 1 1 -48 6  7  o 93.14668 3.227100 1121.766       61.36906 1191.683       71.25828 920.9995       120.7501 99.20267 2.968996 87.09071 5.730773 12.11196       6.454200 
1 1 1 -48 6  8  o 44.60178 5.278821 244.7739       43.01688 243.5428       47.64081 250.2082       100.0945 44.81547 4.393887 44.38809 9.599874 0.4273796      10.55764 
1 1 1 -48 6  9  o 56.44216 3.946396 336.0255       44.74586 301.3883       49.71918 483.6407       102.6403 49.85489 4.122057 63.02944 6.730886 -13.17455      7.892793 
1 1 1 -48 6  10 o 63.64519 3.888086 515.9225       47.76955 532.7772       53.84831 453.6586       103.4977 66.30209 3.356932 60.98828 7.014260 5.313816       7.776171 
1 1 1 -48 6  11 o 150.0607 3.140903 2732.711       97.45498 2730.769       111.8246 2738.846       198.7263 150.1040 3.079233 150.0174 5.475346 0.8666992E-01  6.281806 
1 1 1 -48 6  12 o 145.3300 3.101297 2495.438       91.89543 2436.650       104.2234 2700.773       194.7844 141.7669 3.038700 148.8931 5.407260 -7.126160      6.202593 
1 1 1 -48 6  13 o 106.8797 3.101302 1348.751       66.20007 1317.993       74.47120 1464.604       144.5312 104.2378 2.952982 109.5216 5.454557 -5.283806      6.202604 
1 1 1 -48 6  14 o 34.47405 5.794370 150.4496       39.94708 151.7946       44.27167 144.5568       92.66894 35.22857 5.194319 33.71954 10.35944 1.509026       11.58874 
1 1 1 -48 6  15 o 59.88243 4.411994 450.3348       48.74249 454.8047       53.91592 430.3391       114.0351 61.10392 3.647083 58.66095 8.035020 2.442970       8.823988 
1 1 1 -48 6  16 o 72.59206 3.970018 646.2672       64.05175 639.8161       76.59221 661.2731       116.8149 72.27803 4.380018 72.90607 6.622659 -0.6280441     7.940036 
1 1 1 -48 6  17 o 39.34676 4.538728 200.3072       40.75530 264.3284       58.03312 138.0059       57.24830 46.24332 5.187099 32.45019 7.449442 13.79313       9.077456 
1 1 1 -48 6  18 o 51.44212 3.692264 329.4516       45.90877 339.9425       64.29358 318.5383       65.57500 52.31634 5.079582 50.56789 5.359954 1.748444       7.384529 
1 1 1 -48 6  19 o 28.64254 5.490348 109.7982       40.52007 150.5007       57.90042 70.73060       56.72572 33.52358 7.342113 23.76150 8.165113 9.762083       10.98070 
1 1 1 -48 6  20 o 21.61485 8.321469 50.24640       61.38690 50.24640       61.38690 0.000000       0.000000 21.61485 8.321469 ?        ?        ?              ?        
1 1 1 -48 8  1  o 138.7048 3.265634 2334.793       91.96728 2335.636       104.7048 2331.945       192.3914 138.8645 3.116543 138.5451 5.739740 0.3194122      6.531267 
1 1 1 -48 8  2  o 100.7517 3.293865 1265.389       66.32656 1293.296       75.46229 1170.613       139.0673 103.3399 3.018281 98.16359 5.855610 5.176308       6.587730 
1 1 1 -48 8  3  o 220.7209 3.788184 5982.638       176.1905 6056.132       204.7277 5772.754       345.9692 223.5560 3.785192 217.8859 6.563053 5.670029       7.576368 
1 1 1 -48 8  4  o 153.1721 3.436263 2883.644       118.0568 2949.276       143.2667 2744.795       208.3828 156.0077 3.795744 150.3364 5.729219 5.671280       6.872527 
1 1 1 -48 8  5  o 56.99413 4.627340 422.0550       48.60386 438.5262       54.13628 353.5991       110.3650 60.15826 3.719554 53.83001 8.474315 6.328243       9.254680 
1 1 1 -48 8  6  o 84.43837 3.427599 845.2189       56.86898 831.4900       63.67408 899.3456       126.4299 82.85418 3.176479 86.02255 6.074843 -3.168373      6.855197 
1 1 1 -48 8  7  f 235.0014 3.926698 6930.972       199.0809 7227.235       236.3874 6208.209       369.2188 244.1617 4.001699 225.8410 6.757385 18.32066       7.853397 
1 1 1 -48 8  8  o 289.1414 4.620132 9973.631       271.7210 9804.726       308.3604 10560.38       574.7292 284.2650 4.483664 294.0177 8.079556 -9.752716      9.240264 
1 1 1 -48 8  9  o 28.47886 6.347167 92.95567       40.42303 92.71336       44.30860 94.15824       98.71130 27.05147 6.782647 29.90625 10.73042 -2.854778      12.69433 
1 1 1 -48 8  10 o 188.7368 3.491279 4361.969       136.6210 4392.252       157.2827 4268.888       275.7485 190.3237 3.415749 187.1499 6.090055 3.173813       6.982558 
1 1 1 -48 8  11 o 73.61127 3.668067 675.3656       51.74686 685.8546       57.92432 633.9084       115.1578 75.20663 3.183483 72.01592 6.609410 3.190704       7.336134 
1 1 1 -48 8  12 o 72.82254 3.806167 663.8096       51.57821 673.7402       57.22636 620.8209       119.0654 74.51662 3.174247 71.12846 6.918943 3.388153       7.612333 
1 1 1 -48 8  13 o 22.98698 6.332171 13.45046       40.05342 -4.549179      43.67178 108.7686       100.4978 15.10063 6.526386 30.87333 10.85320 -15.77270      12.66434 
1 1 1 -48 8  14 o 54.31408 5.245810 393.5142       49.03467 405.7076       54.13300 337.7751       115.7390 57.70174 3.877670 50.92641 9.748731 6.775330       10.49162 
1 1 1 -48 8  15 f 43.41361 6.107980 240.9377       46.12023 240.4037       50.10126 243.9025       118.0610 44.28991 4.675645 42.53732 11.28574 1.752586       12.21596 
1 1 1 -48 8  16 o 75.68068 3.879536 696.5939       54.91405 689.9374       60.68010 726.7104       129.0692 75.21455 3.334587 76.14680 7.005978 -0.9322510     7.759072 
1 1 1 -48 8  17 o 64.55046 4.927360 607.8430       53.71434 652.0056       59.41731 410.3510       125.6494 73.03574 3.362601 56.06519 9.263283 16.97055       9.854719 
1 1 1 -48 8  18 o 73.71588 3.981676 657.1182       56.53727 641.3146       62.87609 723.8549       129.2081 72.26626 3.596231 75.16550 7.105076 -2.899239      7.963352 
1 1 1 -48 8  19 o 48.38553 3.797901 290.8777       43.92114 362.3032       66.36374 235.2090       58.58817 53.68531 5.109438 43.08575 5.620486 10.59956       7.595803 
1 1 1 -48 8  20 o 30.62213 8.431500 134.1498       64.44606 134.1498       64.44606 0.000000       0.000000 30.62213 8.431500 ?        ?        ?              ?        
1 1 1 -48 10 1  o 68.34671 3.995312 571.2606       52.40353 573.2940       58.49752 562.9982       117.9178 68.76954 3.515920 67.92389 7.175540 0.8456497      7.990624 
1 1 1 -48 10 2  o 110.4469 3.336053 1503.474       73.47344 1521.353       83.29791 1440.809       155.9468 112.0608 3.072403 108.8331 5.922612 3.227699       6.672105 
1 1 1 -48 10 3  o 143.2976 3.295626 2457.375       94.35198 2430.920       106.4372 2554.432       203.8669 141.6541 3.105719 144.9411 5.813702 -3.287018      6.591253 
1 1 1 -48 10 4  o 289.2643 4.588265 10303.55       280.8970 10432.32       327.2237 9942.892       547.6226 293.1932 4.613055 285.3353 7.932745 7.857849       9.176531 
1 1 1 -48 10 5  f 139.3178 3.310517 2416.630       93.67410 2470.458       107.2819 2243.903       192.1770 142.7997 3.105251 135.8359 5.847692 6.963791       6.621033 
1 1 1 -48 10 6  o 26.47750 6.477244 80.01310       43.63079 88.94645       47.68578 34.08685       108.1215 26.57219 7.226526 26.38282 10.75156 0.1893711      12.95449 
1 1 1 -48 10 7  o 190.2286 3.608830 4422.899       140.1843 4444.896       160.1954 4350.981       289.6533 191.4830 3.457941 188.9741 6.335397 2.508850       7.217659 
1 1 1 -48 10 8  o 68.75757 4.072072 632.3142       52.35109 671.3318       58.95564 486.8531       113.8332 74.41782 3.274508 63.09732 7.456853 11.32050       8.144143 
1 1 1 -48 10 9  o 78.68362 3.743093 783.6194       55.00400 802.0804       61.22426 706.3653       125.2442 81.34085 3.111089 76.02641 6.809119 5.314445       7.486186 
1 1 1 -48 10 10 f 108.1481 3.239905 1414.161       69.81660 1407.833       78.80810 1437.240       150.5109 107.7531 3.023004 108.5431 5.731439 -0.7899475     6.479810 
1 1 1 -48 10 11 o 38.29406 6.247223 178.8776       44.96424 176.5887       49.07810 190.8388       112.1938 38.03785 5.332974 38.55028 11.29914 -0.5124359     12.49445 
1 1 1 -48 10 12 o 31.96692 5.872705 159.6625       45.18865 190.2578       49.26039 -2.793575      113.5111 39.45425 5.160618 24.47959 10.55096 14.97466       11.74541 
1 1 1 -48 10 13 o 121.0155 3.530882 1809.120       93.50146 1832.019       111.1574 1753.718       172.9005 122.6503 3.745996 119.3807 5.986319 3.269615       7.061763 
1 1 1 -48 10 14 f 26.46559 6.873711 52.25801       42.47221 39.99524       45.62782 131.8263       116.2266 19.80556 7.267900 33.12561 11.66916 -13.32006      13.74742 
1 1 1 -48 10 15 o 41.02577 6.481571 212.5807       48.06522 209.9937       52.13265 227.2457       124.1227 41.27095 5.221113 40.78059 11.86520 0.4903564      12.96314 
1 1 1 -48 10 16 o 69.23113 4.499082 593.2745       55.24247 590.0709       60.30321 609.9941       137.7620 69.45578 3.588639 69.00648 8.251582 0.4492950      8.998163 
1 1 1 -48 10 17 f 60.38051 5.650589 510.7014       55.67833 528.0460       60.95423 423.3195       136.8145 65.54600 3.843752 55.21502 10.62743 10.33097       11.30118 
1 1 1 -48 10 18 o 21.42183 6.399951 29.95476       49.15285 43.01209       53.99852 -33.15884      118.7179 20.53796 7.829225 22.30569 10.12624 -1.767731      12.79990 
1 1 1 -48 10 19 o 44.66188 6.522677 255.1553       53.59493 240.6244       58.68036 328.2570       131.6166 43.41296 5.586902 45.91080 11.78846 -2.497833      13.04535 
1 1 1 -48 10 20 o 23.85312 10.36456 41.35634       111.3308 41.35634       111.3308 0.000000       0.000000 23.85312 10.36456 ?        ?        ?              ?        
1 1 1 -48 12 1  o 143.3237 3.314553 2494.710       95.81237 2492.583       108.7647 2502.082       202.4448 143.3847 3.135329 143.2627 5.840785 0.1220093      6.629106 
1 1 1 -48 12 2  o 101.1325 3.617635 1270.041       67.56768 1284.768       74.72747 1204.045       158.1882 102.9576 2.999987 99.30730 6.584013 3.650337       7.235271 
1 1 1 -48 12 3  f 58.78376 3.297671 423.3226       46.35258 393.9551       69.65973 446.6584       62.09536 56.91579 5.058790 60.65173 4.231688 -3.735935      6.595343 
1 1 1 -48 12 4  o 116.7195 2.674818 1653.815       75.48389 1716.354       106.4756 1590.625       107.0272 118.9466 3.699949 114.4924 3.863804 4.454147       5.349636 
1 1 1 -48 12 5  f 191.9374 3.037981 4473.000       141.0512 4431.903       197.3752 4515.896       201.6464 191.0410 4.270350 192.8338 4.322201 -1.792770      6.075962 
1 1 1 -48 12 6  o 102.2033 2.679916 1266.795       66.23878 1218.284       92.49312 1317.869       94.90499 100.1937 3.815632 104.2128 3.764140 -4.019035      5.359832 
1 1 1 -48 12 7  o 100.7369 3.380002 1250.349       77.00421 1187.745       133.7169 1281.411       94.19039 98.72537 5.598289 102.7484 3.789040 -4.023048      6.760005 
1 1 1 -48 12 8  o 159.7848 2.808438 3100.271       108.5487 3048.460       151.7639 3154.538       155.3198 158.4204 3.959634 161.1491 3.983792 -2.728683      5.616877 
1 1 1 -48 12 9  o 80.96352 2.858290 796.6228       55.90373 738.4361       78.16971 857.5374       79.98103 77.92794 4.146131 83.99908 3.935592 -6.071144      5.716580 
1 1 1 -48 12 10 o 102.4498 2.675272 1275.756       66.28796 1229.847       92.91450 1323.345       94.59885 100.5684 3.818736 104.3311 3.747742 -3.762726      5.350543 
1 1 1 -48 12 11 o 97.69923 3.925351 1162.242       92.78377 1162.242       92.78377 0.000000       0.000000 97.69923 3.925351 ?        ?        ?              ?        
1 1 1 -48 12 12 o 133.3039 2.714427 2157.692       87.36835 1989.818       119.7291 2348.897       127.7783 127.7693 3.873208 138.8385 3.804038 -11.06917      5.428853 
1 1 1 -48 12 13 o 74.26314 3.962350 627.7807       54.68769 600.7126       59.85966 764.4260       134.4940 70.20776 3.524089 78.31853 7.098003 -8.110771      7.924699 
1 1 1 -48 12 14 o 109.0425 3.671908 1417.219       73.94524 1391.174       81.23402 1543.129       178.6092 106.8658 3.141933 111.2192 6.637762 -4.353409      7.343815 
1 1 1 -48 12 15 o 38.16277 6.237926 255.1325       50.74830 293.3513       55.07489 40.15467       130.6207 48.79071 4.665672 27.53483 11.57058 21.25588       12.47585 
1 1 1 -48 12 16 o 79.99295 4.561709 849.0726       63.58142 870.0293       69.72501 745.6276       154.9109 84.28739 3.419193 75.69851 8.458481 8.588882       9.123419 
1 1 1 -48 12 17 f 24.43261 6.865851 55.79392       49.75164 55.37652       54.68561 57.79892       119.8546 21.93750 7.970815 26.92772 11.18149 -4.990215      13.73170 
1 1 1 -48 12 18 o 33.75231 7.478447 130.5796       52.50465 111.0564       56.86097 243.5455       136.7766 28.36169 7.960962 39.14293 12.66222 -10.78125      14.95689 
1 1 1 -48 12 19 o 23.55188 6.596621 66.80490       51.48235 84.63538       55.52332 -42.48662      137.4635 24.68198 8.072826 22.42178 10.43509 2.260195       13.19324 
1 1 1 -48 14 1  o 93.42229 2.759128 1061.210       62.34756 1032.089       88.00808 1090.551       88.33839 92.12991 3.948386 94.71468 3.855049 -2.584770      5.518256 
1 1 1 -48 14 2  o 153.6421 2.799151 2864.201       103.9383 3050.354       150.4369 2694.178       143.7714 158.4161 3.925118 148.8681 3.991796 9.547958       5.598303 
1 1 1 -48 14 3  o 16.17965 5.022527 -18.52277      39.10741 -53.49322      58.93043 8.997713       52.27776 14.65553 6.824582 17.70378 7.370766 -3.048255      10.04505 
1 1 1 -48 14 4  o 74.66101 3.028582 677.8382       54.69938 689.8605       78.07648 666.2492       76.65627 75.31083 4.285096 74.01120 4.281026 1.299629       6.057164 
1 1 1 -48 14 5  o 26.38359 5.774779 85.24187       41.42414 62.23071       59.67628 106.6402       57.54690 23.80890 8.363707 28.95828 7.964968 -5.149378      11.54956 
1 1 1 -48 14 6  o 58.81240 3.384729 423.0461       47.93487 378.5551       68.11026 466.7104       67.47449 55.71263 5.053084 61.91217 4.504653 -6.199535      6.769457 
1 1 1 -48 14 7  o 62.72421 3.325890 479.9283       50.41015 471.9451       72.74801 487.3024       69.91763 62.20864 4.833571 63.23978 4.569767 -1.031136      6.651780 
1 1 1 -48 14 8  o 79.57713 3.031807 771.6315       58.29707 822.1411       82.96888 722.3789       81.92995 82.16446 4.173774 76.98981 4.398525 5.174644       6.063614 
1 1 1 -48 14 9  o 35.52520 5.424734 160.3504       45.12557 185.6939       67.84115 140.2392       60.43364 38.06328 7.632555 32.98711 7.710711 5.076164       10.84947 
1 1 1 -48 14 10 o 69.48329 3.171927 589.9434       53.30708 574.0647       75.39162 605.8187       75.38357 68.53879 4.546575 70.42780 4.424154 -1.889015      6.343854 
1 1 1 -48 14 11 o 40.35502 4.765730 203.1528       45.44799 224.8299       67.94494 185.6011       61.13881 42.58981 6.594002 38.12023 6.882431 4.469582       9.531460 
1 1 1 -48 14 12 o 115.9729 2.743287 1643.059       76.96263 1623.422       109.1994 1662.442       108.4873 115.2739 3.915498 116.6719 3.843354 -1.398071      5.486573 
1 1 1 -48 14 13 o 34.24266 5.429389 148.0431       45.78665 217.2786       68.24146 91.35582       61.74852 41.66579 6.769653 26.81954 8.490279 14.84624       10.85878 
1 1 1 -48 14 14 f 52.10733 4.280871 356.8574       50.97133 248.6897       76.69807 442.4188       68.21418 44.33310 7.150790 59.88155 4.708465 -15.54845      8.561743 
1 1 1 -48 14 15 o 67.65703 3.351042 568.6389       54.66874 546.0762       79.61052 588.7729       75.20406 66.30598 4.962670 69.00807 4.504423 -2.702087      6.702083 
1 1 1 -48 14 16 o 48.61990 4.151377 293.3183       48.28019 338.1671       75.54111 262.3475       62.77466 51.63733 6.046684 45.60247 5.689755 6.034855       8.302753 
1 1 1 -48 14 17 o 40.95107 7.190025 263.2332       56.02982 273.7972       60.03597 191.9096       155.9965 46.49307 5.337292 35.40905 13.35287 11.08402       14.38005 
1 1 1 -48 14 18 o 18.45632 6.288291 -50.36694      53.23062 -51.28085      57.14065 -44.36645      146.4161 13.84962 6.534818 23.06302 10.74554 -9.213400      12.57658 
1 1 1 -48 14 19 o 43.89684 7.304183 268.9363       77.57240 268.9363       77.57240 0.000000       0.000000 43.89684 7.304183 ?        ?        ?              ?        
1 1 1 -48 16 1  o 66.55803 3.282041 541.4078       52.76916 501.9657       73.83701 582.5840       75.44260 64.06232 4.763971 69.05373 4.515723 -4.991402      6.564082 
1 1 1 -48 16 2  o 189.1451 3.087155 4363.251       141.1591 4295.951       195.1647 4437.082       204.4147 187.6419 4.299016 190.6482 4.431769 -3.006241      6.174311 
1 1 1 -48 16 3  o 50.73648 3.993046 317.2796       48.79115 293.1911       70.50822 339.4132       67.58668 48.83831 5.967285 52.63465 5.307463 -3.796345      7.986091 
1 1 1 -48 16 4  o 67.33611 3.212361 554.1118       52.27701 568.5358       72.90533 538.8466       75.00090 68.25619 4.414840 66.41603 4.667574 1.840157       6.424723 
1 1 1 -48 16 5  o 89.80998 2.844760 983.3276       61.78794 1002.425       86.77290 963.6847       88.00278 90.70615 3.954076 88.91382 4.090957 1.792336       5.689521 
1 1 1 -48 16 6  o 84.14780 2.895997 862.6351       58.92463 824.0744       82.06174 903.6794       84.66316 82.20322 4.126193 86.09237 4.064691 -3.889145      5.791993 
1 1 1 -48 16 7  o 93.57890 2.888417 1069.655       65.30215 1015.027       92.98161 1122.825       91.73340 91.19289 4.214381 95.96492 3.951051 -4.772034      5.776834 
1 1 1 -48 16 8  o 59.85428 3.655348 439.7460       52.92523 442.7438       74.37558 436.6708       75.32867 60.06953 5.117688 59.63902 5.220685 0.4305115      7.310697 
1 1 1 -48 16 9  o 164.7076 2.941869 3315.933       117.2147 3340.746       164.8329 3290.550       166.7164 165.3470 4.120454 164.0681 4.200027 1.278976       5.883738 
1 1 1 -48 16 10 o 68.83521 3.281431 581.0842       54.63013 560.5070       76.50956 602.4874       78.03024 67.58443 4.679148 70.08599 4.601818 -2.501564      6.562861 
1 1 1 -48 16 11 o 127.8212 2.802748 1999.655       86.59888 2108.333       123.1434 1893.325       121.8061 131.2894 3.876853 124.3530 4.048654 6.936417       5.605496 
1 1 1 -48 16 12 o 99.10953 2.904512 1208.227       69.44281 1256.663       95.92916 1154.901       100.6551 101.2655 3.915495 96.95352 4.291113 4.312012       5.809024 
1 1 1 -48 16 13 o 14.92873 4.908342 -49.32165      42.48742 -35.84075      63.99760 -59.94611      56.81431 16.10389 7.358532 13.75358 6.497637 2.350309       9.816684 
1 1 1 -48 16 14 o 38.01658 5.696393 192.6744       50.80328 230.8421       74.66032 159.7631       69.32892 41.72454 7.678936 34.30862 8.416029 7.415924       11.39279 
1 1 1 -48 16 15 o 21.34686 5.880252 11.86718       49.51612 100.4851       74.59722 -57.93193      66.20439 27.54033 9.365061 15.15339 7.113726 12.38694       11.76050 
1 1 1 -48 16 16 o 42.11780 5.678271 242.8891       56.42478 223.8788       82.10889 259.8993       77.66944 39.85419 8.754879 44.38140 7.233473 -4.527206      11.35654 
1 1 1 -48 16 17 o 64.09132 4.179323 534.9337       64.19783 447.1908       88.93533 630.3951       92.76457 58.28655 6.306722 69.89608 5.485637 -11.60953      8.358645 
1 1 1 -48 16 18 o 24.69862 6.716669 80.21581       58.95212 128.1876       84.38588 34.48457       82.39165 28.34957 9.946377 21.04766 9.029073 7.301903       13.43334 
1 1 1 -48 18 1  o 54.74221 3.982113 374.3299       52.09538 334.2950       77.10864 407.9494       70.66087 51.91129 6.139584 57.57312 5.072907 -5.661835      7.964225 
1 1 1 -48 18 2  o 72.30450 3.287355 642.9402       57.32535 615.2552       83.27833 667.8721       79.02906 70.77406 4.863575 73.83495 4.424076 -3.060890      6.574709 
1 1 1 -48 18 3  o 41.02299 5.082961 215.4659       48.05853 294.8669       69.96156 144.5233       66.13020 48.82871 5.922183 33.21727 8.262790 15.61145       10.16592 
1 1 1 -48 18 4  o 60.21812 3.701806 442.0759       53.59309 517.8798       79.86079 379.9667       72.28792 64.89933 5.086173 55.53691 5.379992 9.362419       7.403612 
1 1 1 -48 18 5  o 18.69038 5.645851 3.162349       44.68839 -1.040450      69.60242 6.109976       58.28963 19.20795 8.270455 18.17280 7.687789 1.035154       11.29170 
1 1 1 -48 18 6  o 23.73528 5.969534 59.83516       45.81327 14.14038       70.24442 93.65963       60.43578 20.34091 8.512665 27.12965 8.371135 -6.788738      11.93907 
1 1 1 -48 18 7  o 79.68002 3.238977 765.9219       61.79951 937.7325       94.02731 635.2607       81.99787 87.44628 4.444372 71.91376 4.712901 15.53252       6.477953 
1 1 1 -48 18 8  o 76.76410 3.294152 721.7420       60.80083 840.0620       88.72982 617.0070       83.48077 82.73186 4.432967 70.79634 4.873864 11.93552       6.588304 
1 1 1 -48 18 9  o 40.55476 5.297364 206.8767       50.53027 251.7415       77.67743 173.9635       66.53149 44.69625 7.183259 36.41328 7.787750 8.282967       10.59473 
1 1 1 -48 18 10 o 42.43650 5.160940 232.9869       51.16495 190.0602       72.03265 276.6984       72.68814 37.90008 8.101321 46.97292 6.396077 -9.072842      10.32188 
1 1 1 -48 18 11 o 96.84369 3.047711 1152.172       71.29397 1077.696       97.78644 1236.681       104.1654 93.50835 4.322410 100.1790 4.297782 -6.670677      6.095421 
1 1 1 -48 18 12 f 81.44046 3.274959 822.6309       64.33655 744.0324       90.18088 904.0988       91.81229 77.39655 4.816045 85.48437 4.439272 -8.087814      6.549918 
1 1 1 -48 18 13 o 20.08041 5.988132 16.00670       50.26269 -6.484011      75.65074 33.78103       67.25246 19.14769 8.426347 21.01314 8.510438 -1.865446      11.97626 
1 1 1 -48 18 14 o 33.96333 5.437948 149.1524       52.09015 289.6669       76.17015 25.70444       71.39472 47.30573 6.655317 20.62094 8.601852 26.68479       10.87590 
1 1 1 -48 18 15 o 49.52478 4.939386 325.1850       58.62187 329.3435       78.24806 319.8649       88.50365 50.20513 6.442037 48.84443 7.489346 1.360703       9.878772 
1 1 1 -48 18 16 o 19.90028 6.143573 -0.3026642     56.55984 -41.86574      74.25736 57.12839       87.28891 16.47608 7.668505 23.32448 9.600415 -6.848400      12.28715 
1 1 1 -48 18 17 o 65.79524 4.300710 573.9022       67.80777 503.8933       88.83425 671.6341       104.9597 61.16493 6.003101 70.42556 6.160130 -9.260632      8.601419 
1 1 1 -48 20 1  o 102.9607 3.005405 1301.430       74.68359 1180.370       103.1602 1434.760       108.2614 97.89735 4.355510 108.0241 4.142387 -10.12679      6.010810 
1 1 1 -48 20 2  o 61.71333 3.830943 477.3386       56.65141 422.0504       82.40434 526.8879       78.01049 58.15770 5.856532 65.26894 4.940195 -7.111240      7.661886 
1 1 1 -48 20 3  o 111.4981 2.976686 1526.893       80.25288 1502.029       111.3156 1553.804       115.8071 110.5735 4.161046 112.4226 4.257740 -1.849106      5.953373 
1 1 1 -48 20 4  o 26.95222 6.286794 84.43645       48.76587 132.2662       74.79318 49.06715       64.31704 31.49098 9.224257 22.41345 8.544484 9.077538       12.57359 
1 1 1 -48 20 5  o 45.60813 5.097946 276.7537       52.62279 204.0172       78.00710 337.4961       71.28597 39.14713 8.481429 52.06913 5.658761 -12.92200      10.19589 
1 1 1 -48 20 6  o 78.45146 3.533464 765.2903       66.72327 808.8777       91.69609 716.2404       97.27251 80.94553 4.682261 75.95739 5.293194 4.988136       7.066928 
1 1 1 -48 20 7  o 22.19216 6.207291 41.54899       49.36787 38.22165       71.76962 44.53730       68.01501 22.10911 8.848534 22.27521 8.707771 -0.1660976     12.41458 
1 1 1 -48 20 8  o 65.29828 3.675670 528.7114       57.31193 650.8009       83.90175 421.9102       78.47295 72.48200 4.784522 58.11456 5.581267 14.36745       7.351339 
1 1 1 -48 20 9  o 99.56888 3.033348 1222.207       72.99504 1176.226       100.4581 1273.639       106.2461 97.60550 4.254106 101.5323 4.325202 -3.926758      6.066695 
1 1 1 -48 20 10 o 53.95042 6.374433 370.0381       83.20294 370.0381       83.20294 0.000000       0.000000 53.95042 6.374433 ?        ?        ?              ?        
1 1 1 -48 20 11 o 42.31857 5.587774 241.0632       55.42680 292.3140       78.51331 190.1453       78.25799 47.62930 6.813447 37.00785 8.858319 10.62145       11.17555 
1 1 1 -48 20 12 o 23.14508 6.235461 46.17221       53.87155 -24.64528      79.46033 106.4110       73.28550 18.41100 8.328524 27.87918 9.282220 -9.468180      12.47092 
1 1 1 -48 20 13 o 20.56376 6.145152 24.22090       52.58362 24.67912       73.93796 23.75195       74.79845 20.55490 8.674930 20.57262 8.706156 -0.1772118E-01 12.29030 
1 1 1 -48 20 14 o 55.19922 4.762099 402.1335       63.10110 370.1312       83.16508 445.5540       96.87182 52.81260 6.508803 57.58584 6.953116 -4.773239      9.524198 
1 1 1 -48 20 15 o 41.19701 6.274402 257.5934       60.57212 270.2059       82.66876 242.9731       89.00565 42.88587 8.267275 39.50815 9.440586 3.377724       12.54880 
1 1 1 -48 22 3  o 45.82495 8.337518 319.4544       89.76427 338.8459       107.4720 274.7174       163.2389 49.63651 9.290847 42.01338 13.84691 7.623131       16.67504 
1 1 1 -48 22 4  o 51.43982 5.017226 356.5505       58.01220 260.9839       85.80593 437.0113       78.73291 43.92744 8.379603 58.95221 5.520188 -15.02477      10.03445 
1 1 1 -48 22 5  o 54.60400 4.331141 378.5767       56.89686 377.0730       84.87366 379.8041       76.67773 54.36463 6.452889 54.84336 5.778870 -0.4787292     8.662281 
1 1 1 -48 22 6  o 51.87745 4.688131 343.6738       58.73457 370.7786       85.97524 319.9537       80.42838 53.79945 6.605311 49.95545 6.654633 3.844002       9.376262 
1 1 1 -48 22 7  o 40.70419 5.909373 226.1020       56.11530 229.6963       82.60208 223.0215       76.47021 40.86732 8.625301 40.54106 8.080033 0.3262672      11.81875 
1 1 1 -48 22 8  o 26.07250 6.472437 87.00085       52.28322 51.31794       78.95975 114.8608       69.76946 23.29103 9.295147 28.85397 9.009441 -5.562939      12.94487 
1 1 1 -48 22 9  o 46.16383 5.581119 288.1505       60.61916 257.9566       86.05613 317.8889       85.40446 43.10724 8.553344 49.22042 7.171879 -6.113178      11.16224 
1 1 1 -48 22 10 o 55.97498 4.611313 409.4142       62.26922 381.5239       88.87543 436.3062       87.27045 53.91282 6.813768 58.03714 6.215255 -4.124313      9.222626 
1 1 1 -48 22 11 o 52.70198 5.017421 372.5345       63.57034 386.7728       86.55757 355.8612       93.66676 54.13086 6.609336 51.27309 7.550811 2.857765       10.03484 
1 1 1 -48 22 12 o 38.75896 6.742009 228.7616       62.86642 214.3755       88.93158 243.1315       88.88152 37.31377 9.745043 40.20415 9.319489 -2.890381      13.48402 
1 1 1 -48 22 13 o 58.28468 4.677593 451.9472       64.50800 341.5577       85.17590 600.4324       98.78580 49.63784 7.092537 66.93153 6.100444 -17.29370      9.355186 
1 1 1 -48 24 10 o 22.31268 10.92535 -153.8370      198.3603 0.000000       0.000000 -153.8370      198.3603 ?        ?        22.31268 10.92535 ?              ?        
1 1 1 -48 24 11 o 26.41074 8.317452 93.26285       97.77177 81.87984       113.1418 126.8293       194.2885 24.77542 10.60313 28.04606 12.81771 -3.270641      16.63490 
1 1 1 -47 1  1  o 196.0113 3.700951 4603.292       163.8674 4506.283       197.8821 4814.991       292.3221 192.8486 4.241190 199.1741 6.066338 -6.325439      7.401902 
1 1 1 -47 1  2  o 138.6674 3.023319 2346.510       87.89130 2363.564       101.7158 2296.252       174.6154 139.7252 3.008924 137.6097 5.244827 2.115494       6.046638 
1 1 1 -47 1  3  o 72.77420 3.258662 664.9014       49.15598 688.3571       57.00743 596.9066       97.06112 75.40267 3.124945 70.14574 5.719285 5.256935       6.517323 
1 1 1 -47 1  4  o 200.2033 3.496547 4974.584       150.1053 5117.376       176.8587 4606.782       283.8456 205.5652 3.556106 194.8414 6.021418 10.72382       6.993093 
1 1 1 -47 1  5  o 201.5492 3.514372 4901.254       147.7927 4878.624       170.1335 4970.851       298.3530 200.7148 3.503547 202.3835 6.093307 -1.668655      7.028744 
1 1 1 -47 1  6  o 172.6324 3.235594 3641.840       117.9861 3673.968       137.1302 3550.268       231.5144 174.1907 3.253912 171.0741 5.593598 3.116531       6.471189 
1 1 1 -47 1  7  o 412.2881 6.078221 21097.50       539.9152 21594.29       637.2381 19833.43       1016.490 421.7292 6.245480 402.8471 10.42943 18.88205       12.15644 
1 1 1 -47 1  8  o 74.98578 3.015701 663.1804       48.25072 643.7523       55.87360 720.1666       95.69181 72.91363 3.167347 77.05794 5.132808 -4.144310      6.031402 
1 1 1 -47 1  9  o 302.6237 4.707351 11089.15       296.7682 11049.20       341.5053 11212.37       599.7601 301.8738 4.675949 303.3735 8.171421 -1.499725      9.414702 
1 1 1 -47 1  10 o 259.6702 3.608766 8174.202       226.5703 8395.959       327.6793 7971.065       313.6205 263.0341 5.149139 256.3063 5.057582 6.727783       7.217532 
1 1 1 -47 1  11 o 220.4103 3.216141 5883.032       171.3137 5669.591       235.6114 6122.448       249.5363 216.1826 4.504776 224.6380 4.591431 -8.455475      6.432282 
1 1 1 -47 1  12 o 157.7460 2.674114 3017.617       102.0528 3047.317       145.0490 2988.504       143.6106 158.5146 3.782189 156.9775 3.781348 1.537033       5.348229 
1 1 1 -47 1  13 o 105.7019 2.449818 1355.204       62.64786 1367.110       88.59608 1343.296       88.59884 106.1675 3.449217 105.2363 3.479848 0.9312363      4.899637 
1 1 1 -47 1  14 o 71.54424 2.638796 622.9798       45.35695 718.2974       64.91170 532.0395       63.40370 76.92118 3.487986 66.16729 3.960673 10.75389       5.277592 
1 1 1 -47 1  15 o 79.09706 2.571160 760.4739       49.18386 731.1318       68.87058 791.0147       70.26329 77.53658 3.671342 80.65755 3.600652 -3.120972      5.142320 
1 1 1 -47 1  16 o 34.24370 4.772939 150.1141       38.12402 157.1198       53.53741 142.9069       54.30171 35.11984 6.541600 33.36755 6.952069 1.752285       9.545878 
1 1 1 -47 1  17 o 22.62172 5.430198 55.79898       37.19362 24.98738       51.70705 88.83409       53.54028 18.89734 7.528124 26.34610 7.827869 -7.448757      10.86040 
1 1 1 -47 1  18 f 39.64274 5.689761 215.7801       46.84135 178.3462       91.99689 228.8811       54.42426 36.27665 10.10627 43.00883 5.230372 -6.732189      11.37952 
1 1 1 -47 1  19 o 17.57590 5.059528 16.66938       34.43588 -0.6410767     49.44078 32.97947       47.99095 16.12441 6.956508 19.02739 7.348625 -2.902975      10.11906 
1 1 1 -47 1  20 o 28.48295 5.300716 109.6070       37.07436 118.4550       52.92081 101.0792       51.95466 29.61122 7.406002 27.35468 7.585611 2.256538       10.60143 
1 1 1 -47 3  1  o 144.6671 3.059757 2481.531       91.32872 2433.298       104.2076 2641.285       189.6504 141.7660 3.038261 147.5682 5.312007 -5.802246      6.119514 
1 1 1 -47 3  2  o 334.7659 5.128340 13579.04       357.8653 13537.69       411.9928 13706.13       722.2619 334.1355 5.096415 335.3964 8.900902 -1.260925      10.25668 
1 1 1 -47 3  3  o 241.9715 3.986582 7066.327       200.6019 7031.687       230.5455 7174.301       407.0299 240.9303 3.955151 243.0127 6.923013 -2.082413      7.973163 
1 1 1 -47 3  4  o 183.6141 3.345196 4159.845       130.5126 4243.533       152.6272 3932.183       251.7359 187.2012 3.369930 180.0270 5.779698 7.174240       6.690391 
1 1 1 -47 3  5  f 65.84657 3.354590 529.5308       45.88805 533.3770       52.87119 517.7870       92.38560 66.36949 3.292670 65.32364 5.845634 1.045853       6.709181 
1 1 1 -47 3  6  o 385.7762 5.705567 18572.91       479.1823 19217.47       570.9691 17037.48       881.2464 397.9219 5.930789 373.6306 9.748833 24.29126       11.41113 
1 1 1 -47 3  7  o 78.72009 3.118988 747.5748       51.25362 744.2165       59.01539 757.8822       103.3910 78.39905 3.111374 79.04115 5.406635 -0.6420975     6.237977 
1 1 1 -47 3  8  o 196.7608 3.476683 4657.720       142.2286 4622.751       163.3355 4767.400       289.2707 195.3670 3.455629 198.1546 6.033898 -2.787582      6.953366 
1 1 1 -47 3  9  o 195.6922 3.468886 4555.091       139.6257 4476.830       159.1822 4816.181       290.7488 192.2510 3.422343 199.1334 6.034920 -6.882401      6.937773 
1 1 1 -47 3  10 o 69.00789 3.652654 650.0187       49.98120 722.1221       58.28305 449.6133       97.16708 77.21569 3.119855 60.80009 6.605605 16.41560       7.305307 
1 1 1 -47 3  11 o 137.4287 3.023408 2338.921       87.20470 2389.864       101.3735 2193.932       171.0219 140.4631 2.983046 134.3943 5.259794 6.068817       6.046817 
1 1 1 -47 3  12 o 59.98402 3.381741 406.5767       43.17568 376.4511       49.49709 502.4390       88.29491 55.71469 3.672041 64.25336 5.679858 -8.538662      6.763481 
1 1 1 -47 3  13 f 56.47184 3.940838 412.1481       47.99374 447.0760       57.72755 333.9679       86.36649 60.68391 3.931943 52.25978 6.830860 8.424129       7.881676 
1 1 1 -47 3  14 o 109.3421 2.439776 1451.560       64.54037 1457.493       91.61816 1445.715       90.93341 109.5632 3.456324 109.1210 3.444393 0.4421768      4.879551 
1 1 1 -47 3  15 o 24.52511 5.362192 74.01218       35.42484 59.21402       50.17105 88.72480       50.02585 22.62794 7.680329 26.42228 7.484982 -3.794338      10.72438 
1 1 1 -47 3  16 o 29.85623 5.227977 115.6503       37.64859 126.0229       52.22853 104.4306       54.31930 31.26330 7.070712 28.44916 7.702729 2.814144       10.45595 
1 1 1 -47 3  17 o 77.47171 2.714978 732.9109       50.87286 716.2155       70.91891 750.6089       73.01713 76.56554 3.828480 78.37788 3.850605 -1.812347      5.429956 
1 1 1 -47 3  18 o 25.56025 6.036665 77.61137       42.82569 64.72439       54.13976 99.15527       70.00078 23.25957 7.977736 27.86092 9.062065 -4.601347      12.07333 
1 1 1 -47 3  19 o 30.81508 5.661270 124.6881       41.73172 142.4152       67.46764 113.7029       53.11069 32.42338 8.497705 29.20679 7.482575 3.216591       11.32254 
1 1 1 -47 3  20 o 43.72408 3.874857 242.5677       40.32137 296.8014       57.87423 191.4114       56.20832 48.67817 4.914152 38.76998 5.992427 9.908195       7.749714 
1 1 1 -47 5  1  o 140.5009 3.106436 2416.546       91.03152 2440.460       105.1557 2345.033       181.8474 141.9707 3.061484 139.0311 5.406209 2.939545       6.212873 
1 1 1 -47 5  2  o 201.7243 3.575281 4970.289       151.5110 5007.161       175.5399 4862.582       300.0162 203.3262 3.568455 200.1224 6.196504 3.203873       7.150561 
1 1 1 -47 5  3  o 139.1642 3.085257 2310.836       87.93517 2279.834       100.1450 2415.229       183.7664 137.2231 3.016475 141.1054 5.382946 -3.882385      6.170514 
1 1 1 -47 5  4  o 190.3893 3.414120 4470.281       138.1036 4556.387       161.4613 4235.574       266.5709 193.9678 3.440620 186.8108 5.898049 7.156982       6.828239 
1 1 1 -47 5  5  o 140.3802 3.071389 2390.206       89.37669 2392.100       102.7014 2384.295       181.4401 140.5605 3.020025 140.2000 5.349128 0.3605499      6.142777 
1 1 1 -47 5  6  o 199.8513 3.519741 4908.603       148.8378 4980.349       173.4131 4707.912       290.0338 202.7815 3.534689 196.9210 6.087715 5.860550       7.039482 
1 1 1 -47 5  7  f 31.18292 5.794135 98.87626       38.36235 78.10799       43.14536 177.2754       83.82811 24.97747 6.907651 37.38838 9.304427 -12.41091      11.58827 
1 1 1 -47 5  8  o 136.7629 3.076132 2317.485       87.75463 2368.888       101.7088 2167.757       173.5854 139.8694 3.005616 133.6563 5.368112 6.213150       6.152265 
1 1 1 -47 5  9  o 171.6405 3.278373 3603.382       117.7962 3634.242       136.2794 3512.195       234.2566 173.2187 3.251869 170.0623 5.693527 3.156387       6.556745 
1 1 1 -47 5  10 f 80.80237 3.420837 842.5811       54.68800 884.5673       62.48087 705.0565       113.0796 85.45853 3.021965 76.14620 6.138096 9.312325       6.841673 
1 1 1 -47 5  11 o 44.02352 5.084467 257.8990       41.69162 270.3116       47.07286 212.7305       89.79636 47.20332 4.121883 40.84372 9.296090 6.359596       10.16893 
1 1 1 -47 5  12 o 94.28297 3.089256 1088.030       58.49862 1094.864       66.41113 1064.366       123.5751 95.05358 2.887820 93.51236 5.462098 1.541222       6.178513 
1 1 1 -47 5  13 o 28.29010 6.119640 74.58895       38.06297 56.92338       42.11528 153.3611       88.93286 21.83145 7.022504 34.74875 10.02419 -12.91730      12.23928 
1 1 1 -47 5  14 f 103.3177 3.087681 1336.450       65.47024 1371.163       75.41230 1230.220       131.9226 106.3060 2.932122 100.3294 5.434864 5.976593       6.175361 
1 1 1 -47 5  15 o 130.5737 3.086495 2103.520       82.48774 2124.349       94.50394 2036.883       169.0360 132.2536 2.953522 128.8939 5.420563 3.359650       6.172989 
1 1 1 -47 5  16 o 57.81552 3.105589 408.1390       43.31172 453.8793       62.65022 366.2657       59.94344 60.93299 4.249793 54.69805 4.529679 6.234943       6.211178 
1 1 1 -47 5  17 o 18.79850 5.306351 22.86844       37.06377 39.45438       50.95102 4.227531       54.01526 20.23700 7.631269 17.36000 7.375174 2.876999       10.61270 
1 1 1 -47 5  18 o 78.29077 2.787534 750.5749       52.54478 857.3307       76.21954 653.8875       72.53629 83.63317 3.766912 72.94836 4.109958 10.68481       5.575068 
1 1 1 -47 5  19 o 13.54426 4.472599 -44.41885      36.08133 -36.48070      53.04944 -51.25204      49.21899 14.26736 6.585023 12.82117 6.054258 1.446187       8.945198 
1 1 1 -47 5  20 f 20.75076 5.587231 29.01728       40.66077 87.75729       65.05615 -8.638621      52.08803 25.76395 8.745752 15.73757 6.955602 10.02638       11.17446 
1 1 1 -47 7  1  o 149.8573 3.204407 2781.684       100.2404 2842.263       116.2106 2605.592       198.1314 153.2014 3.135312 146.5132 5.589518 6.688232       6.408813 
1 1 1 -47 7  2  o 213.4156 3.712451 5630.553       167.9921 5748.979       196.2921 5306.365       324.7719 217.8426 3.724413 208.9885 6.423233 8.854019       7.424902 
1 1 1 -47 7  3  o 107.4229 3.080066 1263.528       65.35712 1176.165       72.53257 1640.690       150.7077 98.55778 3.041864 116.2881 5.356706 -17.73033      6.160133 
1 1 1 -47 7  4  o 27.18525 4.905177 109.0119       40.82494 162.0233       46.13517 -82.32005      87.64783 36.54644 5.217768 17.82406 8.307703 18.72238       9.810353 
1 1 1 -47 7  5  o 28.54342 6.374592 89.10690       40.93478 84.74746       45.22853 108.8519       96.25543 25.97385 7.027069 31.11298 10.63776 -5.139132      12.74918 
1 1 1 -47 7  6  o 105.3319 3.109020 1298.751       65.92515 1263.552       74.30631 1428.911       142.8900 102.1525 3.006591 108.5112 5.442832 -6.358688      6.218039 
1 1 1 -47 7  7  o 52.42732 4.292010 306.9355       44.93667 288.2581       50.15203 382.9863       101.2006 48.76495 4.250875 56.08969 7.457577 -7.324734      8.584020 
1 1 1 -47 7  8  o 223.4932 3.841804 5898.984       173.8100 5767.815       196.5802 6368.828       372.0500 218.1713 3.724258 228.8152 6.720695 -10.64386      7.683608 
1 1 1 -47 7  9  o 94.02586 3.260078 1049.132       60.06633 1033.047       67.20293 1113.028       133.9405 92.35287 3.007707 95.69886 5.784992 -3.345993      6.520156 
1 1 1 -47 7  10 o 318.9000 4.953772 12422.14       330.4980 12442.32       381.6910 12361.69       660.6601 320.0678 4.929100 317.7321 8.594382 2.335693       9.907544 
1 1 1 -47 7  11 o 112.3596 3.118892 1534.829       70.08730 1536.175       79.32603 1530.042       149.6423 112.5945 2.912034 112.1246 5.516340 0.4698410      6.237783 
1 1 1 -47 7  12 o 55.66735 4.186991 396.9394       44.40842 409.8785       49.86074 347.2933       97.66714 58.12121 3.545861 53.21350 7.586201 4.907707       8.373982 
1 1 1 -47 7  13 o 63.73606 4.032582 528.3643       48.68073 550.2861       54.70637 444.9732       106.6990 67.32728 3.358494 60.14484 7.332625 7.182434       8.065164 
1 1 1 -47 7  14 o 57.94554 3.980687 398.2192       45.33137 389.0713       50.70826 434.6222       101.1549 56.55304 3.706128 59.33804 7.046140 -2.784996      7.961374 
1 1 1 -47 7  15 o 92.94505 3.587505 1121.643       62.89354 1163.590       70.52124 958.5961       139.0359 97.84895 2.978939 88.04116 6.527381 9.807785       7.175011 
1 1 1 -47 7  16 o 87.70303 3.546795 984.4592       60.29199 1013.071       68.03823 879.8334       130.1076 91.23192 3.082505 84.17414 6.388833 7.057777       7.093591 
1 1 1 -47 7  17 o 24.80685 6.579968 38.71666       41.58029 22.20010       45.25771 128.1380       105.3061 17.68546 7.043746 31.92823 11.11618 -14.24277      13.15994 
1 1 1 -47 7  18 o 66.60149 3.116921 550.9763       49.71176 638.9400       70.24812 462.7370       70.35810 72.07013 4.028813 61.13285 4.757044 10.93728       6.233843 
1 1 1 -47 7  19 o 19.38877 5.418140 31.32519       38.01840 16.33464       55.99966 44.14182       51.78018 18.31047 7.626439 20.46707 7.698209 -2.156593      10.83628 
1 1 1 -47 7  20 o 16.98027 7.534280 -9.116164      61.70112 -9.116164      61.70112 0.000000       0.000000 16.98027 7.534280 ?        ?        ?              ?        
1 1 1 -47 9  1  o 217.5506 3.823798 5736.797       171.7047 5727.377       196.8167 5766.806       351.2948 217.3929 3.742090 217.7082 6.669519 -0.3153229     7.647596 
1 1 1 -47 9  2  o 179.4254 3.452340 3955.875       128.5053 4004.436       148.1659 3808.448       258.1606 181.8148 3.368345 177.0361 6.027341 4.778702       6.904679 
1 1 1 -47 9  3  o 116.1305 3.154644 1587.534       73.95386 1550.289       83.51793 1722.784       159.1541 113.1425 3.051067 119.1185 5.522509 -5.976006      6.309289 
1 1 1 -47 9  4  o 266.4525 4.317580 8656.216       240.4167 8685.349       277.5660 8568.709       481.0591 267.6558 4.286347 265.2492 7.496214 2.406555       8.635160 
1 1 1 -47 9  5  o 37.44783 6.084968 215.3271       45.33838 241.4725       49.73667 86.80547       110.2725 44.62030 4.607251 30.27537 11.26413 14.34494       12.16994 
1 1 1 -47 9  6  o 80.83690 3.718465 849.5671       57.70785 890.7496       65.22936 701.2493       123.7895 85.75649 3.143937 75.91730 6.739702 9.839195       7.436930 
1 1 1 -47 9  7  o 33.65527 6.305797 132.1598       43.18132 126.8637       47.67708 156.3355       101.8641 31.72877 6.431098 35.58177 10.84865 -3.853001      12.61159 
1 1 1 -47 9  8  o 164.2165 3.353228 3283.809       112.3263 3292.837       128.2200 3254.016       232.9298 164.8560 3.214762 163.5770 5.885733 1.279022       6.706455 
1 1 1 -47 9  9  o 166.3934 3.326070 3362.518       113.9106 3362.591       130.4574 3362.284       233.6971 166.5694 3.237213 166.2174 5.811317 0.3520050      6.652139 
1 1 1 -47 9  10 o 44.29618 5.640327 274.8429       44.99765 293.3784       50.20684 199.1672       101.4469 49.15654 4.221622 39.43582 10.46093 9.720718       11.28065 
1 1 1 -47 9  11 o 137.3503 3.147946 2241.296       86.75269 2201.625       97.87593 2386.675       187.3672 134.7594 3.002026 139.9412 5.534084 -5.181808      6.295891 
1 1 1 -47 9  12 o 82.38730 3.479981 806.9112       55.02930 794.2040       61.14894 861.0351       126.1995 80.90549 3.123983 83.86909 6.219470 -2.963600      6.959962 
1 1 1 -47 9  13 o 96.88322 3.486650 1154.507       63.18192 1159.347       70.00823 1133.254       146.6942 97.72858 2.960911 96.03786 6.313471 1.690712       6.973300 
1 1 1 -47 9  14 o 68.30739 3.924865 527.6475       49.03876 505.5061       53.44897 645.4492       123.2858 64.45627 3.427456 72.15852 7.061926 -7.702248      7.849730 
1 1 1 -47 9  15 o 29.59806 6.662724 102.3172       42.90637 100.7747       46.46607 111.2433       111.7761 27.92017 6.914954 31.27594 11.39083 -3.355768      13.32545 
1 1 1 -47 9  16 o 51.53174 5.901963 377.8962       51.10569 396.2116       56.26892 291.6122       122.1310 56.87499 4.089262 46.18849 11.07297 10.68650       11.80393 
1 1 1 -47 9  17 o 48.01629 6.040680 329.1138       49.52317 342.9301       54.40619 262.3438       119.6035 52.79377 4.259545 43.23882 11.30555 9.554955       12.08136 
1 1 1 -47 9  18 o 37.59664 6.426786 186.8686       47.79638 185.4223       52.61706 193.6942       114.3066 38.42196 5.660369 36.77133 11.54013 1.650631       12.85357 
1 1 1 -47 9  19 o 22.07292 6.283541 -23.99565      45.23205 -62.23967      50.14766 142.8911       104.7562 12.37566 5.919436 31.77018 11.08566 -19.39452      12.56708 
1 1 1 -47 9  20 o 19.70939 8.139954 29.22394       63.02576 29.22394       63.02576 0.000000       0.000000 19.70939 8.139954 ?        ?        ?              ?        
1 1 1 -47 11 1  o 218.7824 3.830657 5892.052       175.5980 5966.414       203.4897 5675.193       347.4996 221.8055 3.791995 215.7592 6.657063 6.046356       7.661314 
1 1 1 -47 11 2  o 196.7262 3.622845 4784.970       148.6990 4869.612       172.1809 4536.585       294.9544 200.4294 3.550759 193.0230 6.316022 7.406433       7.245690 
1 1 1 -47 11 3  o 118.9238 3.328719 1687.355       76.98547 1667.697       85.98366 1766.806       172.8600 117.3294 3.029052 120.5181 5.928435 -3.188660      6.657439 
1 1 1 -47 11 4  o 102.4924 3.534100 1314.165       68.15176 1338.054       75.89986 1214.753       154.8323 105.0983 2.984990 99.88641 6.406972 5.211906       7.068201 
1 1 1 -47 11 5  o 119.2723 3.766032 1724.836       108.6740 1724.836       108.6740 0.000000       0.000000 119.2723 3.766032 ?        ?        ?              ?        
1 1 1 -47 11 6  o 48.76839 3.669509 288.7834       43.09525 291.6083       64.25025 286.4732       58.10396 48.97470 5.422514 48.56207 4.945455 0.4126320      7.339018 
1 1 1 -47 11 7  o 66.50168 3.337573 539.9623       53.40197 574.1074       73.36623 501.4872       77.87925 68.76661 4.409774 64.23674 5.011133 4.529869       6.675145 
1 1 1 -47 11 8  o 262.5387 3.678205 8379.796       233.5566 8548.602       335.5408 8221.143       325.2953 265.0939 5.231706 259.9835 5.171656 5.110352       7.356411 
1 1 1 -47 11 9  o 151.8326 2.719205 2797.281       99.86644 2754.877       139.5069 2841.850       143.0237 150.6552 3.827445 153.0100 3.863544 -2.354797      5.438411 
1 1 1 -47 11 10 f 71.67216 4.135469 625.0803       63.14601 622.7846       73.53206 631.5289       123.2390 71.57758 4.246170 71.76675 7.097779 -0.1891708     8.270939 
1 1 1 -47 11 11 o 120.0925 3.272386 1703.262       75.40303 1669.985       83.70383 1846.520       173.6719 117.3267 2.948805 122.8583 5.842823 -5.531586      6.544772 
1 1 1 -47 11 12 o 121.5500 3.402094 1851.625       80.27905 1885.592       90.33054 1723.974       175.1135 124.6213 2.995988 118.4788 6.109095 6.142517       6.804189 
1 1 1 -47 11 13 o 94.20694 3.552967 1081.194       64.66297 1077.252       72.23901 1097.085       145.0446 94.13079 3.172034 94.28310 6.358656 -0.1523056     7.105934 
1 1 1 -47 11 14 o 66.79641 4.728570 592.9507       53.86629 611.1215       58.84468 498.9887       133.8125 70.82452 3.434166 62.76830 8.811583 8.056213       9.457139 
1 1 1 -47 11 15 o 76.38297 4.210855 695.8854       56.98250 682.9768       61.95972 766.6865       145.1073 74.82024 3.422851 77.94568 7.694757 -3.125435      8.421709 
1 1 1 -47 11 16 o 36.45308 6.800245 153.4881       48.50061 139.5537       52.94581 226.1749       120.9247 32.70714 6.907549 40.19902 11.71576 -7.491879      13.60049 
1 1 1 -47 11 17 o 25.53827 6.621468 79.46634       47.92875 93.93121       51.80813 -6.412850      126.2364 26.62927 7.642016 24.44728 10.81549 2.181993       13.24294 
1 1 1 -47 11 18 o 26.10291 7.254093 59.20229       48.99620 50.36656       52.56759 117.6800       135.2359 21.15550 7.795337 31.05033 12.23602 -9.894833      14.50819 
1 1 1 -47 11 19 o 29.03015 6.704371 126.1881       51.61106 141.3244       56.67172 52.61154       124.9471 32.01374 7.455812 26.04655 11.14474 5.967192       13.40874 
1 1 1 -47 11 20 o 19.24228 9.117041 -71.26711      113.3824 -71.26711      113.3824 0.000000       0.000000 19.24228 9.117041 ?        ?        ?              ?        
1 1 1 -47 13 1  o 84.96268 2.850545 877.2548       58.49248 941.5938       83.04862 813.9216       82.39695 88.06692 3.897780 81.85844 4.160498 6.208473       5.701090 
1 1 1 -47 13 2  o 26.51897 5.746613 83.93552       41.01122 111.9067       60.46438 60.10331       55.81186 29.72451 8.159699 23.31344 8.094043 6.411068       11.49323 
1 1 1 -47 13 3  o 73.95703 3.021610 661.2605       53.93800 617.5531       73.32909 712.7866       79.61813 71.30806 4.250454 76.60600 4.295829 -5.297935      6.043220 
1 1 1 -47 13 4  o 187.4206 3.014476 4266.223       136.6827 4277.835       192.5844 4254.437       194.0207 187.6814 4.241287 187.1598 4.284826 0.5215759      6.028951 
1 1 1 -47 13 5  o 191.9946 3.043965 4478.065       141.3824 4515.661       199.2462 4439.937       200.6511 192.8125 4.271225 191.1766 4.338147 1.635880       6.087930 
1 1 1 -47 13 6  o 169.1639 2.866050 3475.050       117.2965 3488.676       165.5760 3461.323       166.1904 169.4993 4.037635 168.8286 4.068717 0.6707306      5.732099 
1 1 1 -47 13 7  o 228.8127 4.148859 6354.799       215.5422 6486.615       378.2859 6291.431       262.2829 230.2243 6.791515 227.4010 4.767331 2.823334       8.297718 
1 1 1 -47 13 8  o 38.60805 4.899704 187.9859       44.25352 153.1550       63.11274 221.6736       62.06820 34.62743 7.729284 42.58867 6.023832 -7.961231      9.799407 
1 1 1 -47 13 9  o 123.1976 2.678339 1844.670       79.82877 1851.493       112.6371 1837.785       113.1546 123.4289 3.771919 122.9663 3.803501 0.4625626      5.356678 
1 1 1 -47 13 10 o 98.63643 2.724479 1182.946       64.95162 1111.058       90.73425 1258.500       93.01931 95.55420 3.924815 101.7187 3.779812 -6.164459      5.448958 
1 1 1 -47 13 11 o 163.5499 2.855563 3255.492       112.9161 3132.408       156.3485 3389.681       163.2499 160.3252 4.030785 166.7746 4.045952 -6.449448      5.711125 
1 1 1 -47 13 12 o 83.17229 2.907421 845.6514       58.41233 799.9298       83.19846 890.0966       82.02898 80.92650 4.249347 85.41808 3.969311 -4.491585      5.814842 
1 1 1 -47 13 13 o 55.69770 3.833875 396.3422       49.69771 304.1332       74.95243 468.6876       66.39027 49.53334 6.254403 61.86206 4.435860 -12.32872      7.667751 
1 1 1 -47 13 14 o 95.98885 2.822050 1128.031       65.51637 1162.772       92.79857 1093.506       92.51038 97.47839 3.934872 94.49932 4.046312 2.979065       5.644100 
1 1 1 -47 13 15 o 65.84526 3.231195 533.7286       51.36942 544.8823       75.39838 524.0663       70.17699 66.45382 4.689643 65.23671 4.446317 1.217110       6.462390 
1 1 1 -47 13 16 o 26.73880 6.761701 91.03352       48.69968 105.0350       52.12299 -5.176681      136.6323 28.09364 7.519843 25.38396 11.23985 2.709681       13.52340 
1 1 1 -47 13 17 o 17.82174 6.115336 -64.99564      51.25308 -61.50809      54.94287 -88.37597      142.2580 13.25668 6.299998 22.38679 10.48329 -9.130106      12.23067 
1 1 1 -47 13 18 o 24.80315 7.113388 63.78604       54.48541 69.42904       58.95773 30.76740       142.6150 23.38874 8.303325 26.21757 11.55231 -2.828821      14.22678 
1 1 1 -47 13 19 o 30.85183 5.773677 172.7871       56.79639 226.8698       61.37803 -149.4349      149.8172 41.51481 6.110933 20.18884 9.797852 21.32597       11.54735 
1 1 1 -47 15 1  o 181.6996 3.009119 4019.538       132.2232 4006.664       184.1684 4033.234       189.9492 181.4158 4.196022 181.9834 4.314231 -0.5675659     6.018238 
1 1 1 -47 15 2  o 80.56125 2.954311 790.4053       57.25981 684.9777       79.85963 901.9504       82.14388 75.00189 4.401014 86.12060 3.942447 -11.11871      5.908622 
1 1 1 -47 15 3  o 152.7891 2.827765 2833.066       104.3722 2739.055       142.9342 2940.454       152.7648 150.0918 3.936198 155.4865 4.060957 -5.394699      5.655530 
1 1 1 -47 15 4  o 182.3176 4.278138 4045.135       188.7061 0.000000       0.000000 4045.135       188.7061 ?        ?        182.3176 4.278138 ?              ?        
1 1 1 -47 15 5  o 237.8859 4.890111 6900.674       281.4425 6900.674       281.4425 0.000000       0.000000 237.8859 4.890111 ?        ?        ?              ?        
1 1 1 -47 15 6  o 58.88210 3.532109 422.1718       50.19350 465.9442       72.71980 382.3421       69.36747 61.80413 4.863321 55.96006 5.123601 5.844063       7.064219 
1 1 1 -47 15 7  o 122.4972 2.731800 1823.719       80.90492 1873.661       117.1098 1778.120       111.9015 124.0932 3.900705 120.9013 3.825628 3.191902       5.463600 
1 1 1 -47 15 8  o 90.91365 2.945393 1009.538       64.59914 1089.169       90.91194 928.3283       91.80861 94.57314 3.973295 87.25417 4.349055 7.318962       5.890785 
1 1 1 -47 15 9  o 53.40326 3.943887 352.2334       50.62252 386.2441       70.29867 315.6014       72.95744 56.15147 5.174682 50.65504 5.953120 5.496429       7.887773 
1 1 1 -47 15 10 f 17.72702 5.432053 -5.693180      42.90362 -3.523158      62.99633 -7.570411      58.59250 18.19493 7.851120 17.25911 7.509243 0.9358196      10.86411 
1 1 1 -47 15 11 o 50.98677 3.937570 322.3087       48.14576 303.1438       71.67969 338.0622       64.98789 49.52494 5.982323 52.44859 5.121490 -2.923653      7.875141 
1 1 1 -47 15 12 o 54.99712 3.766800 371.1901       49.80547 389.5916       75.45866 356.9851       66.29824 56.15240 5.554417 53.84184 5.089556 2.310570       7.533599 
1 1 1 -47 15 13 o 29.50939 6.098992 113.4034       46.82545 137.7171       67.12231 90.35285       65.35542 32.22744 8.490197 26.79133 8.758273 5.436113       12.19798 
1 1 1 -47 15 14 o 37.95799 5.490733 191.2063       48.58231 177.3210       71.38454 203.1868       66.30755 36.44555 8.283612 39.47043 7.209325 -3.024883      10.98147 
1 1 1 -47 15 15 o 53.49608 4.118469 361.3540       52.98449 342.9690       77.99536 377.1094       72.20227 52.09617 6.188147 54.89599 5.436357 -2.799820      8.236938 
1 1 1 -47 15 16 f 52.15697 4.376017 343.1956       54.51612 370.6275       85.28843 324.2450       70.88828 53.73312 6.560633 50.58081 5.792771 3.152309       8.752034 
1 1 1 -47 15 17 o 67.03200 3.730490 571.3607       60.40292 551.3114       86.79020 590.1943       84.11774 65.78112 5.453397 68.28288 5.091825 -2.501762      7.460980 
1 1 1 -47 15 18 o 56.90017 4.743048 453.3010       59.04134 291.8886       85.74068 598.8582       81.42082 45.34893 8.112622 68.45142 4.916440 -23.10249      9.486096 
1 1 1 -47 15 19 o 20.57954 8.570136 42.36053       70.69965 42.36053       70.69965 0.000000       0.000000 20.57954 8.570136 ?        ?        ?              ?        
1 1 1 -47 17 1  o 34.91739 5.529604 157.9481       45.39863 157.1885       67.50111 158.5755       61.34606 34.77076 8.163660 35.06402 7.460612 -0.2932625     11.05921 
1 1 1 -47 17 2  o 169.3416 4.113660 3498.853       168.5367 3498.853       168.5367 0.000000       0.000000 169.3416 4.113660 ?        ?        ?              ?        
1 1 1 -47 17 3  o 68.99155 3.260314 582.3886       54.37043 562.1647       77.57417 601.9159       76.22636 67.79442 4.729561 70.18868 4.488857 -2.394264      6.520628 
1 1 1 -47 17 4  o 45.47096 4.350440 255.0230       47.79684 249.8298       68.94398 259.8288       66.32211 45.00000 6.332592 45.94192 5.966874 -0.9419212     8.700879 
1 1 1 -47 17 5  o 44.29821 4.367949 243.8841       46.36027 223.9297       68.66508 260.6003       62.84717 42.55021 6.670094 46.04621 5.641434 -3.496002      8.735899 
1 1 1 -47 17 6  o 30.24581 5.905891 118.3797       44.49099 115.7942       66.93420 120.4263       59.55056 30.00062 8.708626 30.49100 7.979853 -0.4903736     11.81178 
1 1 1 -47 17 7  o 69.21563 3.408067 589.3309       56.68505 564.2422       84.14251 610.1791       76.70259 67.80306 5.129368 70.62820 4.488793 -2.825134      6.816134 
1 1 1 -47 17 8  o 72.02017 3.405168 634.8046       59.11657 563.0466       81.72512 713.5607       85.61755 67.72409 4.987812 76.31625 4.637068 -8.592155      6.810335 
1 1 1 -47 17 9  o 61.47322 3.655322 464.5208       54.10461 528.2260       78.11448 405.7775       75.01080 65.56844 4.924185 57.37801 5.403510 8.190422       7.310644 
1 1 1 -47 17 10 o 80.55191 3.126459 795.9138       60.92857 791.8571       86.29938 799.9457       86.03326 80.34265 4.439757 80.76118 4.403129 -0.4185257     6.252918 
1 1 1 -47 17 11 o 101.4207 2.903278 1259.646       71.18791 1219.672       98.42246 1303.500       103.0894 99.74453 4.078522 103.0969 4.133008 -3.352371      5.806556 
1 1 1 -47 17 12 o 22.57516 6.078256 50.35842       46.11789 38.27281       69.52305 59.85537       61.62921 21.93469 8.732031 23.21564 8.457685 -1.280956      12.15651 
1 1 1 -47 17 13 o 88.08224 3.129644 959.4979       66.38808 846.5354       92.95412 1077.111       94.84837 82.69102 4.646308 93.47348 4.194103 -10.78246      6.259288 
1 1 1 -47 17 14 o 47.85279 4.613930 291.1504       53.30304 318.6699       77.65250 266.6298       73.29945 50.02525 6.415993 45.68033 6.632376 4.344921       9.227859 
1 1 1 -47 17 15 o 42.35356 5.369589 241.6333       53.17739 215.6718       78.41089 263.7434       72.36126 39.51134 8.457910 45.19579 6.617682 -5.684444      10.73918 
1 1 1 -47 17 16 o 70.24404 3.656440 624.9370       61.97643 566.9090       84.95621 690.9495       90.61281 66.71029 5.263808 73.77779 5.076468 -7.067505      7.312880 
1 1 1 -47 17 17 o 38.34904 5.970831 221.1486       57.97190 109.6360       82.64035 329.1909       81.34433 27.27265 9.814686 49.42544 6.802592 -22.15279      11.94166 
1 1 1 -47 17 18 o 33.59241 7.079785 189.9904       62.24623 170.7268       88.95832 208.4700       87.12911 31.65178 10.20884 35.53305 9.811887 -3.881271      14.15957 
1 1 1 -47 19 1  o 75.00465 3.331434 689.6561       60.36348 738.0591       88.10882 646.8422       82.86591 77.48027 4.700304 72.52903 4.722388 4.951241       6.662868 
1 1 1 -47 19 2  o 83.39552 3.148082 851.3788       63.44047 910.1024       91.98071 798.0972       87.61515 86.14258 4.413434 80.64848 4.490355 5.494102       6.296165 
1 1 1 -47 19 3  o 14.43910 4.789117 -81.31712      42.99184 -15.34186      65.28256 -131.8418      57.12923 17.64587 7.793568 11.23233 5.568022 6.413541       9.578234 
1 1 1 -47 19 4  o 33.34577 6.048659 142.9411       48.89690 177.4641       75.24731 117.7088       64.33027 36.67759 8.624752 30.01394 8.482850 6.663649       12.09732 
1 1 1 -47 19 5  o 77.61046 3.328657 736.2332       62.33658 808.6490       91.87923 674.4684       84.85378 81.13524 4.680643 74.08569 4.734068 7.049553       6.657313 
1 1 1 -47 19 6  o 32.75847 5.959527 135.4181       48.50998 197.0462       74.38282 89.80691       63.99095 38.76464 8.187807 26.75231 8.661619 12.01233       11.91905 
1 1 1 -47 19 7  o 23.82279 5.884560 55.74953       47.65063 -17.95090      72.72859 111.1819       63.07423 18.48325 8.191553 29.16232 8.450481 -10.67908      11.76912 
1 1 1 -47 19 8  o 68.34779 3.503776 576.0896       57.72048 645.1178       83.05360 511.6021       80.27544 72.36167 4.744031 64.33391 5.157515 8.027763       7.007553 
1 1 1 -47 19 9  o 47.45777 4.584948 282.0294       52.57864 300.3001       76.47303 265.6493       72.40823 48.91793 6.461568 45.99762 6.506543 2.920311       9.169895 
1 1 1 -47 19 10 o 41.83592 5.606155 238.4718       54.15687 164.0130       80.20171 300.8792       73.42495 34.72588 9.341846 48.94596 6.200468 -14.22008      11.21231 
1 1 1 -47 19 11 f 27.21415 5.866539 78.57528       48.07078 172.7591       73.36111 7.707045       63.63609 35.69048 8.597893 18.73782 7.983820 16.95266       11.73308 
1 1 1 -47 19 12 o 63.02390 3.960123 505.3175       59.60208 431.4808       86.41302 572.3192       82.31627 58.34587 6.121626 67.70194 5.025535 -9.356075      7.920246 
1 1 1 -47 19 13 o 46.89778 4.828146 285.3678       54.21273 276.5284       81.85031 292.2763       72.36048 46.00662 7.353561 47.78894 6.258522 -1.782318      9.656291 
1 1 1 -47 19 14 o 24.61370 6.013088 50.62495       54.61509 153.6080       75.61010 -61.72683      78.97452 32.68624 9.181979 16.54116 7.766607 16.14509       12.02618 
1 1 1 -47 19 15 o 48.10745 5.466447 314.9750       61.42308 255.4697       82.55106 388.7784       91.93545 42.36935 8.350117 53.84555 7.057176 -11.47619      10.93289 
1 1 1 -47 19 16 o 28.39468 6.632379 97.32921       59.42006 13.62654       76.42220 225.2871       94.48948 19.41718 8.508804 37.37217 10.17615 -17.95499      13.26476 
1 1 1 -47 21 1  o 51.25050 4.387178 331.3839       54.26991 317.9658       78.36518 343.7495       75.22932 50.16806 6.456446 52.33294 5.941686 -2.164879      8.774357 
1 1 1 -47 21 2  o 32.22000 6.350278 137.3924       51.30795 168.0187       78.02505 114.0597       68.10350 35.15644 9.101951 29.28355 8.857687 5.872889       12.70056 
1 1 1 -47 21 3  o 34.75278 6.229228 162.5955       52.49682 180.1258       76.17412 146.7377       72.44929 36.54368 8.734535 32.96188 8.883750 3.581799       12.45846 
1 1 1 -47 21 4  o 50.80445 4.600188 329.2404       55.77457 291.9933       82.60700 360.4456       75.61081 47.92665 7.124223 53.68225 5.821714 -5.755600      9.200376 
1 1 1 -47 21 5  o 66.82561 3.725342 552.1740       60.03488 597.7907       89.39195 514.6948       81.02731 69.30280 5.331450 64.34843 5.204645 4.954361       7.450684 
1 1 1 -47 21 6  o 58.63510 4.282235 438.0756       59.76307 380.5431       88.63289 486.0392       80.92723 54.81686 6.683108 62.45335 5.355952 -7.636490      8.564470 
1 1 1 -47 21 7  o 77.83236 3.436253 754.1938       64.49251 707.5287       92.95421 797.5067       89.55320 75.40562 5.095221 80.25909 4.611949 -4.853470      6.872507 
1 1 1 -47 21 8  o 25.04494 5.647324 39.42508       47.58432 167.7098       75.08913 -46.66306      61.51221 35.00634 8.858610 15.08353 7.006719 19.92281       11.29465 
1 1 1 -47 21 9  o 41.27153 5.757447 229.8553       55.41203 218.1922       79.29620 240.9859       77.46478 40.07108 8.445629 42.47198 7.827140 -2.400894      11.51489 
1 1 1 -47 21 10 o 35.77271 5.758472 181.0318       53.97265 69.67751       78.83097 279.2909       74.05080 24.88643 9.466188 46.65898 6.559824 -21.77255      11.51694 
1 1 1 -47 21 11 o 58.82700 4.465001 445.5089       63.25483 395.2282       88.70349 497.5324       90.22767 55.26433 6.634274 62.38967 5.977571 -7.125340      8.930002 
1 1 1 -47 21 12 o 58.44237 4.543591 451.0699       63.01912 375.3007       92.05867 517.8886       86.45044 53.26614 7.143502 63.61860 5.616694 -10.35246      9.087182 
1 1 1 -47 21 13 o 17.57540 5.585766 -47.32033      53.36290 -123.5688      73.19367 39.19343       77.96518 13.45836 6.599571 21.69244 9.013811 -8.234076      11.17153 
1 1 1 -47 21 14 o 23.40879 6.508009 61.75647       58.60683 110.2283       76.65182 -6.455962      90.93053 27.09119 9.481043 19.72640 8.917766 7.364782       13.01602 
1 1 1 -47 21 15 o 49.17670 5.671288 351.7545       65.36686 294.6228       87.80816 422.7704       97.89814 43.98709 8.559044 54.36631 7.442902 -10.37922      11.34258 
1 1 1 -47 23 5  o 23.13998 7.414477 -20.44180      84.20364 -23.22427      102.4754 -14.65794      147.7450 21.05975 9.498635 25.22021 11.38744 -4.160456      14.82895 
1 1 1 -47 23 6  o 28.33741 8.543165 52.33522       95.66656 20.82094       114.6804 124.4497       173.4789 24.20979 10.51944 32.46503 13.46418 -8.255232      17.08633 
1 1 1 -47 23 7  o 50.86263 7.895536 453.9820       99.97203 588.2213       122.0044 179.6550       174.4094 66.71309 7.558961 35.01216 13.86435 31.70093       15.79107 
1 1 1 -47 23 8  o 25.93021 6.835752 82.47234       58.92030 49.73753       85.32733 112.3063       81.45897 23.42439 9.549187 28.43602 9.783816 -5.011633      13.67150 
1 1 1 -47 23 9  o 38.26815 6.549570 213.7273       60.18217 190.7600       86.99667 234.8053       83.34180 35.90195 9.759571 40.63436 8.737174 -4.732407      13.09914 
1 1 1 -47 23 10 o 85.12578 3.471678 921.6478       71.49831 923.0124       100.8773 920.2703       101.3521 85.20263 4.893708 85.04893 4.925629 0.1536942      6.943357 
1 1 1 -47 23 11 o 43.35479 6.037431 271.9223       61.94666 231.8561       87.57325 312.0482       87.63839 39.17717 9.366178 47.53242 7.620829 -8.355251      12.07486 
1 1 1 -47 23 12 o 25.80178 6.280722 65.79562       60.46681 195.3427       85.81982 -61.91520      85.20942 34.94695 9.770050 16.65661 7.895316 18.29034       12.56144 
1 1 1 -46 0  1  o 136.7612 2.638939 2268.945       123.2757 2268.945       123.2757 2268.945       123.2757 136.7612 3.732024 136.7612 3.732024 0.000000       0.000000 
1 1 1 -46 0  2  o 53.79928 3.398193 358.7641       61.40415 358.7641       61.40415 358.7641       61.40415 53.79928 4.805771 53.79928 4.805771 0.000000       0.000000 
1 1 1 -46 0  3  o 236.7136 3.384443 6792.980       273.8589 6792.980       273.8589 6792.980       273.8589 236.7136 4.786325 236.7136 4.786325 0.000000       0.000000 
1 1 1 -46 0  4  o 60.75253 2.998953 453.2979       61.64003 453.2979       61.64003 453.2979       61.64003 60.75253 4.241159 60.75253 4.241159 0.000000       0.000000 
1 1 1 -46 0  5  o 140.0335 2.586230 2378.288       123.7218 2378.288       123.7218 2378.288       123.7218 140.0335 3.657482 140.0335 3.657482 0.000000       0.000000 
1 1 1 -46 0  6  o 170.2834 2.796252 3515.663       162.7184 3515.663       162.7184 3515.663       162.7184 170.2834 3.954498 170.2834 3.954498 0.000000       0.000000 
1 1 1 -46 0  7  o 174.3753 2.797121 3686.463       166.6896 3686.463       166.6896 3686.463       166.6896 174.3753 3.955726 174.3753 3.955726 0.000000       0.000000 
1 1 1 -46 0  8  f 85.10012 2.452842 880.9111       71.14984 880.9111       71.14984 880.9111       71.14984 85.10012 3.468842 85.10012 3.468842 0.000000       0.000000 
1 1 1 -46 0  9  o 13.72934 5.695504 26.47082       45.06546 26.47082       45.06546 26.47082       45.06546 13.72934 8.054659 13.72934 8.054659 0.000000       0.000000 
1 1 1 -46 0  10 o 455.9338 5.807125 25264.23       905.2373 25264.23       905.2373 25264.23       905.2373 455.9338 8.212515 455.9338 8.212515 0.000000       0.000000 
1 1 1 -46 0  11 o 131.2713 2.539079 2090.936       113.8487 2090.936       113.8487 2090.936       113.8487 131.2713 3.590800 131.2713 3.590800 0.000000       0.000000 
1 1 1 -46 0  12 o 98.94209 2.463220 1189.760       83.15324 1189.760       83.15324 1189.760       83.15324 98.94209 3.483520 98.94209 3.483520 0.000000       0.000000 
1 1 1 -46 0  13 o 29.55824 5.605251 126.5166       48.98742 126.5166       48.98742 126.5166       48.98742 29.55824 7.927022 29.55824 7.927022 0.000000       0.000000 
1 1 1 -46 0  14 o 131.6743 2.510053 2105.396       112.8982 2105.396       112.8982 2105.396       112.8982 131.6743 3.549751 131.6743 3.549751 0.000000       0.000000 
1 1 1 -46 0  15 o 143.5472 2.571099 2503.374       126.0958 2503.374       126.0958 2503.374       126.0958 143.5472 3.636083 143.5472 3.636083 0.000000       0.000000 
1 1 1 -46 0  16 o 6.903851 3.549537 -102.7504      47.47747 -102.7504      47.47747 -102.7504      47.47747 6.903851 5.019804 6.903851 5.019804 0.000000       0.000000 
1 1 1 -46 0  17 f 77.63733 2.726863 737.8515       72.02780 737.8515       72.02780 737.8515       72.02780 77.63733 3.856366 77.63733 3.856366 0.000000       0.000000 
1 1 1 -46 0  18 f 46.68870 3.473294 274.7307       54.07906 274.7307       54.07906 274.7307       54.07906 46.68870 4.911980 46.68870 4.911980 0.000000       0.000000 
1 1 1 -46 0  19 o 8.651223 4.255032 -38.99353      44.74940 -38.99353      44.74940 -38.99353      44.74940 8.651223 6.017523 8.651223 6.017523 0.000000       0.000000 
1 1 1 -46 0  20 o 50.31968 3.300731 318.4555       55.70429 318.4555       55.70429 318.4555       55.70429 50.31968 4.667939 50.31968 4.667939 0.000000       0.000000 
1 1 1 -46 2  1  o 165.6437 3.215574 3374.923       112.6831 3429.757       131.3287 3221.892       219.3938 168.3061 3.225205 162.9812 5.563966 5.324890       6.431149 
1 1 1 -46 2  2  o 110.3553 2.915976 1500.717       67.99695 1528.572       79.24602 1422.963       132.4010 112.3700 2.914907 108.3406 5.051235 4.029381       5.831951 
1 1 1 -46 2  3  o 120.6649 2.892094 1731.699       72.39830 1702.371       82.86482 1826.294       148.8207 118.5877 2.888207 122.7421 5.011495 -4.154465      5.784187 
1 1 1 -46 2  4  o 254.7472 4.116449 7860.590       219.0347 7848.790       252.4796 7896.490       440.3793 254.5426 4.099807 254.9517 7.139481 -0.4091644     8.232898 
1 1 1 -46 2  5  o 200.7987 3.482308 5088.059       152.5499 5388.435       183.2696 4410.470       275.2585 210.9399 3.591115 190.6575 5.967391 20.28233       6.964615 
1 1 1 -46 2  6  o 186.1165 3.361685 4228.191       131.6573 4259.257       152.6603 4138.013       260.0933 187.5507 3.364380 184.6824 5.821052 2.868332       6.723369 
1 1 1 -46 2  7  o 185.2822 3.342962 4239.586       131.7985 4330.157       154.3037 3995.241       253.4456 189.1014 3.372713 181.4631 5.772902 7.638260       6.685925 
1 1 1 -46 2  8  o 233.9567 3.858552 6611.393       188.5440 6583.349       217.1788 6697.204       379.8991 233.1203 3.850659 234.7931 6.687758 -1.672821      7.717103 
1 1 1 -46 2  9  o 217.2374 3.679355 5683.350       166.1252 5644.599       190.7813 5804.878       337.8557 215.8674 3.652973 218.6074 6.387990 -2.739929      7.358711 
1 1 1 -46 2  10 o 167.3450 3.185019 3334.098       110.4392 3278.369       126.3448 3514.575       227.3683 164.5306 3.174010 170.1594 5.522957 -5.628815      6.370039 
1 1 1 -46 2  11 o 118.4032 2.942799 1703.778       72.38306 1707.644       83.29184 1691.850       146.2993 118.7472 2.899190 118.0591 5.122008 0.6881104      5.885598 
1 1 1 -46 2  12 o 189.3414 2.929044 4328.251       133.8205 4640.720       198.2481 4066.703       181.3768 195.5831 4.189627 183.0998 4.094413 12.48328       5.858088 
1 1 1 -46 2  13 o 25.16887 4.945026 77.99311       33.25410 38.78569       47.31579 116.2622       46.74619 20.04673 7.394290 30.29102 6.567923 -10.24429      9.890052 
1 1 1 -46 2  14 o 126.1150 2.489000 1927.196       75.87922 2028.768       109.8763 1834.591       104.9145 129.2872 3.512742 122.9428 3.527200 6.344391       4.978001 
1 1 1 -46 2  15 o 83.57600 2.515812 848.5079       50.78304 782.3404       70.90005 918.2169       72.77270 80.22117 3.653047 86.93083 3.460129 -6.709663      5.031624 
1 1 1 -46 2  16 o 121.9502 2.537700 1808.663       74.82716 1897.907       107.6027 1725.093       104.1261 124.8661 3.561858 119.0343 3.615639 5.831795       5.075399 
1 1 1 -46 2  17 o 55.67205 3.238648 380.3441       42.81194 481.3177       62.34331 290.2340       58.89425 62.74520 4.106833 48.59890 5.008920 14.14630       6.477295 
1 1 1 -46 2  18 o 26.76742 5.130565 93.58903       34.21321 82.28473       49.21991 104.1574       47.59078 25.28263 7.503916 28.25221 6.998715 -2.969587      10.26113 
1 1 1 -46 2  19 o 22.72107 5.281518 63.12602       34.29733 44.02221       48.30138 82.55337       48.70868 20.29552 7.473247 25.14661 7.465140 -4.851091      10.56304 
1 1 1 -46 2  20 o 30.69688 4.914650 125.9589       35.67475 134.4248       50.01889 117.1934       50.89597 31.84612 6.703984 29.54765 7.188306 2.298468       9.829300 
1 1 1 -46 4  1  o 175.8801 3.302126 3627.362       118.3131 3528.361       134.0041 3977.395       251.9720 170.7039 3.244683 181.0563 5.752232 -10.35237      6.604251 
1 1 1 -46 4  2  o 69.11603 3.363183 554.2112       48.16422 532.5356       54.82734 627.4836       100.8049 66.31568 3.417265 71.91637 5.793643 -5.600685      6.726366 
1 1 1 -46 4  3  o 101.4890 2.935908 1209.032       60.82901 1177.151       68.97174 1320.642       129.0500 98.61043 2.890986 104.3676 5.110814 -5.757210      5.871816 
1 1 1 -46 4  4  o 94.08780 3.003696 1115.936       58.62714 1160.764       68.11096 987.7454       115.1783 97.92207 2.874975 90.25352 5.274776 7.668556       6.007391 
1 1 1 -46 4  5  o 373.1122 5.584605 17169.80       445.6497 17451.80       522.6671 16418.80       852.9340 379.2883 5.695783 366.9360 9.607774 12.35229       11.16921 
1 1 1 -46 4  6  o 282.0263 4.432420 9714.441       263.8318 9777.011       306.3522 9534.801       519.0894 284.0400 4.457990 280.0125 7.662357 4.027496       8.864841 
1 1 1 -46 4  7  o 80.25143 3.070912 758.5923       50.74993 739.6887       57.78388 822.3677       106.1353 78.16217 3.055680 82.34069 5.327742 -4.178520      6.141825 
1 1 1 -46 4  8  o 28.55897 5.548476 111.2749       41.86700 145.6589       50.49137 35.60976       74.90091 34.08853 6.356011 23.02940 9.096344 11.05913       11.09695 
1 1 1 -46 4  9  f 126.6451 2.983383 1974.247       78.45584 2004.045       90.55994 1884.593       157.0839 128.6535 2.909458 124.6366 5.209353 4.016991       5.966767 
1 1 1 -46 4  10 o 177.7375 3.316187 3739.383       120.7539 3661.289       137.3076 4005.949       253.6802 173.8613 3.264295 181.6137 5.773453 -7.752365      6.632374 
1 1 1 -46 4  11 o 70.16310 3.193452 536.2116       46.74652 484.5618       52.85157 721.8323       100.1929 63.23693 3.454497 77.08927 5.372057 -13.85234      6.386904 
1 1 1 -46 4  12 o 173.5524 3.266236 3588.587       116.4924 3528.507       132.7790 3789.411       242.7586 170.6293 3.216426 176.4755 5.685753 -5.846176      6.532471 
1 1 1 -46 4  13 o 90.34813 3.130026 1050.900       57.30135 1106.832       66.15126 882.8079       114.6788 95.56612 2.861092 85.13013 5.567980 10.43600       6.260052 
1 1 1 -46 4  14 o 120.5153 2.930844 1696.370       71.97569 1640.268       81.44198 1896.490       153.8178 116.3006 2.894436 124.7301 5.097218 -8.429466      5.861689 
1 1 1 -46 4  15 o 16.29275 4.820169 3.567497       32.42333 -13.37150      45.66418 20.79037       46.04522 14.75250 6.516791 17.83300 7.104053 -3.080497      9.640339 
1 1 1 -46 4  16 o 69.61425 2.812298 591.1603       47.35227 573.5641       66.80318 608.9292       67.13047 68.56578 4.027053 70.66272 3.926694 -2.096939      5.624596 
1 1 1 -46 4  17 o 35.86177 4.623333 163.3476       38.72173 121.3419       53.52602 209.4660       56.08516 30.54295 7.335669 41.18060 5.629282 -10.63766      9.246667 
1 1 1 -46 4  18 o 36.99517 5.505917 185.2883       44.99077 198.7442       54.10889 155.1458       80.98474 40.00566 5.590425 33.98467 9.487234 6.020996       11.01183 
1 1 1 -46 4  19 o 88.74797 2.968491 913.1873       60.05312 1147.650       108.7799 810.4044       72.02309 96.24763 4.671498 81.24832 3.663997 14.99931       5.936983 
1 1 1 -46 4  20 o 60.75473 2.962916 457.8741       43.53471 455.7597       62.34460 459.8862       60.81853 60.59530 4.252630 60.91416 4.126818 -0.3188553     5.925833 
1 1 1 -46 6  1  o 348.7682 5.326185 14780.97       388.4299 14766.56       448.1166 14824.51       778.9683 348.9074 5.308582 348.6289 9.235364 0.2785034      10.65237 
1 1 1 -46 6  2  o 101.2524 3.159661 1236.351       65.17665 1231.109       74.22116 1254.016       136.2383 100.8372 3.042318 101.6676 5.538785 -0.8303452     6.319322 
1 1 1 -46 6  3  o 310.2354 4.811920 11779.22       314.9516 11870.71       365.7839 11516.95       619.3120 312.9150 4.831654 307.5557 8.323066 5.359314       9.623840 
1 1 1 -46 6  4  o 93.20111 3.116597 1113.183       59.95678 1176.539       69.83968 935.6335       116.9141 98.58079 2.928247 87.82143 5.502551 10.75936       6.233193 
1 1 1 -46 6  5  o 226.1517 3.808578 6246.402       181.0519 6290.515       209.8157 6117.787       358.2642 227.8813 3.805634 224.4221 6.598350 3.459152       7.617157 
1 1 1 -46 6  6  o 238.6794 3.952654 6943.824       197.8647 6976.140       228.9012 6848.305       393.5367 239.9636 3.942761 237.3952 6.851900 2.568390       7.905308 
1 1 1 -46 6  7  o 194.1998 3.503143 4451.724       138.3464 4352.972       156.7614 4799.524       294.1917 189.5844 3.417704 198.8152 6.116154 -9.230865      7.006286 
1 1 1 -46 6  8  o 56.48708 4.124922 379.8944       50.31266 371.1095       58.75503 404.0452       97.41859 55.33092 4.389094 57.64324 6.985398 -2.312321      8.249845 
1 1 1 -46 6  9  o 107.9711 3.153116 1504.399       69.42211 1594.427       80.50617 1243.308       137.0995 114.7494 2.899856 101.1928 5.599947 13.55662       6.306233 
1 1 1 -46 6  10 o 109.7969 3.079083 1471.172       68.11312 1478.624       77.39207 1445.568       143.4626 110.4960 2.894994 109.0979 5.435257 1.398071       6.158166 
1 1 1 -46 6  11 o 165.9313 3.268357 3387.875       112.9079 3433.084       130.4445 3252.826       225.4548 168.3206 3.203217 163.5420 5.698072 4.778595       6.536714 
1 1 1 -46 6  12 f 127.1337 3.009263 1958.341       78.42220 1954.700       89.60643 1970.256       162.1002 127.0065 2.916158 127.2609 5.264852 -0.2544403     6.018525 
1 1 1 -46 6  13 o 150.1361 3.144871 2666.852       95.26894 2609.150       107.6298 2875.669       204.7482 146.6897 3.032708 153.5825 5.510313 -6.892792      6.289743 
1 1 1 -46 6  14 f 67.12839 3.845970 588.1428       49.28455 614.9962       55.58781 489.4706       106.5558 71.17406 3.228163 63.08270 6.981755 8.091362       7.691940 
1 1 1 -46 6  15 f 19.86487 5.473516 33.56544       37.34133 57.18159       40.47023 -101.6895      96.85178 21.66488 6.875077 18.06485 8.518851 3.600035       10.94703 
1 1 1 -46 6  16 o 82.98711 3.584935 860.3918       56.07949 869.6856       62.40846 821.4158       127.8038 84.56154 3.050480 81.41269 6.488576 3.148849       7.169871 
1 1 1 -46 6  17 o 16.18135 4.898571 -2.912989      34.54126 15.71332       50.64099 -19.11748      47.23419 17.85056 7.325789 14.51214 6.505136 3.338419       9.797142 
1 1 1 -46 6  18 f 47.61042 3.699479 283.2954       42.18158 325.1083       59.24353 240.3040       60.07262 51.29984 4.773342 43.92101 5.653300 7.378838       7.398959 
1 1 1 -46 6  19 o 43.77702 3.830823 238.5858       40.29972 280.1548       59.28522 202.8786       54.94657 47.36690 5.173318 40.18715 5.651335 7.179752       7.661645 
1 1 1 -46 6  20 f 21.84306 5.634725 55.93201       38.38420 57.75172       58.91929 54.59022       50.59383 22.30109 8.246220 21.38503 7.681169 0.9160652      11.26945 
1 1 1 -46 8  1  o 120.8957 3.164064 1788.705       77.94194 1803.377       89.04485 1740.631       161.1834 122.0375 3.015875 119.7539 5.563246 2.283516       6.328128 
1 1 1 -46 8  2  o 105.0442 3.391814 1297.381       79.73433 1235.792       94.98031 1444.378       146.7359 100.9936 3.887204 109.0948 5.559430 -8.101151      6.783628 
1 1 1 -46 8  3  o 87.78152 3.369689 923.9612       58.39511 916.5190       65.61871 952.2903       128.0243 86.99973 3.117507 88.56331 5.974979 -1.563576      6.739379 
1 1 1 -46 8  4  o 124.6161 3.119803 1942.634       80.38914 2002.569       93.00794 1765.616       159.8407 128.6052 2.989228 120.6271 5.476970 7.978149       6.239606 
1 1 1 -46 8  5  o 35.11216 5.717313 109.5960       41.17673 73.40596       45.73159 264.6044       94.64541 24.40366 7.230857 45.82066 8.858069 -21.41700      11.43463 
1 1 1 -46 8  6  o 165.4115 3.294738 3228.254       110.5190 3156.837       125.0845 3482.451       235.9869 161.4546 3.202217 169.3685 5.759079 -7.913879      6.589476 
1 1 1 -46 8  7  o 94.87915 3.369463 1166.608       63.18955 1229.499       72.25322 962.0464       130.3084 100.7652 2.963769 88.99313 6.052207 11.77204       6.738927 
1 1 1 -46 8  8  o 161.6828 3.453447 3160.852       125.3086 3142.924       151.0201 3200.476       224.5117 161.0375 3.876195 162.3281 5.716668 -1.290649      6.906894 
1 1 1 -46 8  9  f 134.2865 3.194704 2251.842       87.53766 2310.637       100.5541 2067.817       177.8953 138.1194 3.009142 130.4537 5.636452 7.665726       6.389408 
1 1 1 -46 8  10 o 85.79121 3.524555 923.1904       57.56564 942.3411       64.38474 846.8769       128.5260 88.19377 3.017468 83.38864 6.370624 4.805130       7.049110 
1 1 1 -46 8  11 o 83.70630 3.523446 891.0184       55.79826 916.6724       62.43154 789.1731       124.3933 86.97327 2.966989 80.43933 6.391844 6.533943       7.046892 
1 1 1 -46 8  12 o 52.50177 4.431546 332.6649       43.71557 330.3462       48.36713 343.0101       102.1641 52.16407 3.832450 52.83948 7.991667 -0.6754150     8.863092 
1 1 1 -46 8  13 o 102.8035 3.263721 1302.207       65.87014 1313.244       74.19802 1261.154       143.1014 104.0487 2.947496 101.5582 5.824068 2.490479       6.527442 
1 1 1 -46 8  14 o 43.65207 4.935675 180.9979       42.21564 149.5520       46.17838 340.9875       104.1604 34.94429 5.462107 52.35984 8.222466 -17.41555      9.871350 
1 1 1 -46 8  15 o 39.58133 5.994886 217.2646       43.49139 226.8858       47.68433 169.6609       106.0670 43.06905 4.576232 36.09360 11.08209 6.975449       11.98977 
1 1 1 -46 8  16 o 30.24542 6.617247 97.50759       42.84963 85.60659       46.92920 157.1684       105.0741 25.78477 7.230502 34.70607 11.08475 -8.921301      13.23449 
1 1 1 -46 8  17 o 89.86115 3.963479 1092.001       73.90586 1206.614       87.81998 813.8014       136.8216 99.32703 3.654463 80.39528 7.034313 18.93175       7.926958 
1 1 1 -46 8  18 o 73.94813 3.868903 651.5909       54.34533 633.2070       60.09634 734.0869       127.3052 71.89763 3.454865 75.99863 6.923696 -4.100998      7.737807 
1 1 1 -46 8  19 o 18.97754 5.215143 13.99922       37.47530 71.97813       57.26981 -29.41766      49.55871 23.90757 8.204816 14.04751 6.439864 9.860057       10.43029 
1 1 1 -46 8  20 o 33.74027 7.939147 158.4177       63.72658 158.4177       63.72658 0.000000       0.000000 33.74027 7.939147 ?        ?        ?              ?        
1 1 1 -46 10 1  o 53.09831 5.395428 357.8869       50.93829 362.9021       56.35924 335.5146       119.0356 54.70637 4.258189 51.49025 9.915160 3.216114       10.79086 
1 1 1 -46 10 2  o 193.1282 3.580781 4653.125       145.5627 4792.484       169.8516 4267.698       282.4715 198.8858 3.529910 187.3706 6.231188 11.51515       7.161562 
1 1 1 -46 10 3  o 157.1018 3.332663 3051.556       108.0094 3106.656       124.3996 2882.808       217.7020 160.1532 3.210563 154.0504 5.841135 6.102707       6.665326 
1 1 1 -46 10 4  o 172.0416 3.395731 3540.104       119.0440 3497.828       135.3311 3684.711       250.2920 169.9317 3.291703 174.1515 5.940424 -4.219772      6.791462 
1 1 1 -46 10 5  o 83.51937 4.197783 924.2966       72.77334 1017.836       86.21245 692.4450       135.7306 91.64144 3.888443 75.39730 7.440802 16.24414       8.395566 
1 1 1 -46 10 6  o 154.7435 3.320227 2774.539       101.1146 2686.321       112.8838 3132.659       227.4402 148.9236 3.133039 160.5633 5.854887 -11.63977      6.640455 
1 1 1 -46 10 7  o 270.2227 4.401676 8719.097       242.2303 8584.014       275.1136 9185.009       510.9323 266.0409 4.274263 274.4045 7.696082 -8.363617      8.803351 
1 1 1 -46 10 8  o 189.3042 3.740719 4359.052       159.0486 4367.146       192.1901 4341.463       283.3179 189.7399 4.186681 188.8685 6.200292 0.8713837      7.481438 
1 1 1 -46 10 9  o 129.9947 3.233139 2041.211       83.89407 2032.885       94.76372 2071.386       180.4075 129.5253 3.024024 130.4641 5.715595 -0.9387512     6.466278 
1 1 1 -46 10 10 o 122.0953 3.250594 1853.918       79.22217 1888.274       90.01521 1735.872       166.8562 124.8211 2.980749 119.3695 5.777593 5.451675       6.501188 
1 1 1 -46 10 11 o 24.32011 6.467203 53.15304       39.73624 53.36047       42.83709 51.87389       106.3766 21.40108 7.095269 27.23915 10.81462 -5.838060      12.93441 
1 1 1 -46 10 12 o 23.14590 6.261255 51.49049       39.74052 59.92241       42.69969 -3.095777      108.6434 22.25475 7.061871 24.03705 10.34134 -1.782297      12.52251 
1 1 1 -46 10 13 o 80.79965 3.646466 746.5437       55.42068 718.0808       60.91164 883.4028       133.5666 76.87728 3.274914 84.72202 6.516271 -7.844742      7.292931 
1 1 1 -46 10 14 o 50.29048 4.940595 266.8762       47.12224 242.2055       51.45161 395.2409       117.3631 44.48623 4.780475 56.09472 8.647831 -11.60849      9.881190 
1 1 1 -46 10 15 o 34.82357 5.823168 206.8713       45.87505 244.2048       50.07833 12.06425       114.3938 44.62958 4.637936 25.01756 10.68301 19.61202       11.64634 
1 1 1 -46 10 16 o 15.42174 5.281225 -58.69308      42.31700 -43.54148      45.65878 -150.9816      112.6857 12.68722 5.940518 18.15627 8.733589 -5.469045      10.56245 
1 1 1 -46 10 17 o 29.59647 6.546888 119.2911       46.44161 129.3504       50.84438 68.63772       114.0938 31.42384 6.878608 27.76909 11.14144 3.654751       13.09378 
1 1 1 -46 10 18 o 75.31599 4.842261 806.6616       71.29514 887.8295       82.80560 574.0630       140.1751 84.82150 4.035073 65.81048 8.803871 19.01102       9.684522 
1 1 1 -46 10 19 o 14.66706 5.195590 -114.8295      46.47501 -114.8399      50.83369 -114.7769      114.7144 10.53960 5.229380 18.79452 8.979432 -8.254918      10.39118 
1 1 1 -46 10 20 o 22.51604 8.674098 59.36107       66.73380 59.36107       66.73380 0.000000       0.000000 22.51604 8.674098 ?        ?        ?              ?        
1 1 1 -46 12 1  o 61.65548 3.410433 461.8269       50.87149 459.1176       72.01463 464.5255       71.87189 61.47395 4.842028 61.83702 4.804058 -0.3630676     6.820866 
1 1 1 -46 12 2  o 157.7785 3.967774 3019.606       151.4597 3019.606       151.4597 0.000000       0.000000 157.7785 3.967774 ?        ?        ?              ?        
1 1 1 -46 12 3  o 234.3331 4.801292 6668.267       272.2038 6668.267       272.2038 0.000000       0.000000 234.3331 4.801292 ?        ?        ?              ?        
1 1 1 -46 12 4  o 157.0496 2.788490 2987.664       105.8698 2899.935       146.2440 3084.265       153.4617 154.6338 3.909051 159.4654 3.977692 -4.831635      5.576980 
1 1 1 -46 12 5  o 63.03104 3.216231 482.8546       48.96472 451.1973       69.28338 514.4447       69.20982 60.95716 4.697881 65.10490 4.393916 -4.147739      6.432463 
1 1 1 -46 12 6  o 25.11186 5.773756 74.41017       40.08283 78.31474       59.21894 71.10892       54.45199 25.68795 8.334004 24.53576 7.993085 1.152191       11.54751 
1 1 1 -46 12 7  o 150.9941 3.247368 2767.874       114.0545 2764.087       142.8253 2774.539       189.4859 150.9364 3.911187 151.0518 5.184999 -0.1153717     6.494737 
1 1 1 -46 12 8  o 57.77038 4.893180 390.4204       59.11267 374.2507       67.58317 443.0696       121.9505 55.47151 5.035774 60.06925 8.391294 -4.597744      9.786360 
1 1 1 -46 12 9  o 106.4000 2.648985 1372.943       68.15403 1338.691       94.51309 1410.048       98.37137 105.0212 3.719740 107.7788 3.772534 -2.757553      5.297969 
1 1 1 -46 12 10 o 103.3765 2.653738 1297.991       66.36999 1303.669       94.25987 1292.408       93.46783 103.5999 3.760671 103.1532 3.745219 0.4466858      5.307477 
1 1 1 -46 12 11 o 29.57105 5.357419 107.2087       40.13766 164.3661       60.18145 61.41425       53.86826 35.92677 7.174920 23.21533 7.957905 12.71144       10.71484 
1 1 1 -46 12 12 f 128.7749 2.676342 2018.551       83.38047 2010.523       118.1816 2026.507       117.6558 128.5166 3.800916 129.0332 3.768853 -0.5166321     5.352683 
1 1 1 -46 12 13 o 58.56285 3.563142 424.2650       49.99377 368.5046       72.18861 475.6571       69.30336 54.76578 5.448250 62.35993 4.593528 -7.594154      7.126285 
1 1 1 -46 12 14 o 18.86980 5.339170 24.12475       36.40253 21.79507       57.69477 25.66560       46.92118 19.38990 7.872211 18.34970 7.214933 1.040209       10.67834 
1 1 1 -46 12 15 o 35.11977 6.890755 104.9800       46.28826 77.06536       49.71376 286.8531       126.8951 24.63582 7.590801 45.60372 11.50260 -20.96790      13.78151 
1 1 1 -46 12 16 o 34.93123 7.008925 148.4143       48.68303 141.7424       52.67376 187.5074       127.5027 32.95947 6.830038 36.90300 12.24135 -3.943531      14.01785 
1 1 1 -46 12 17 o 19.22138 6.369616 -37.82842      47.44357 -41.95505      50.74952 -9.214753      133.6352 13.58273 6.327747 24.86002 11.05657 -11.27729      12.73923 
1 1 1 -46 12 18 o 33.14323 7.251486 149.5856       51.83919 150.0681       55.69762 146.4604       141.7461 33.44475 7.102822 32.84172 12.64461 0.6030273      14.50297 
1 1 1 -46 12 19 o 34.44743 7.245459 165.6687       52.44767 161.2477       56.67543 192.0286       138.3910 34.37110 7.051994 34.52375 12.65923 -0.1526489     14.49092 
1 1 1 -46 12 20 o 31.30977 11.67296 167.1624       118.5424 167.1624       118.5424 0.000000       0.000000 31.30977 11.67296 ?        ?        ?              ?        
1 1 1 -46 14 1  o 84.73473 2.953659 865.2950       60.02620 717.8549       81.29466 1042.043       89.00854 76.84494 4.372647 92.62451 3.971947 -15.77957      5.907318 
1 1 1 -46 14 2  o 71.59351 3.049364 622.7047       52.81123 629.8206       75.44637 615.8683       73.94888 71.99304 4.331571 71.19398 4.293248 0.7990646      6.098728 
1 1 1 -46 14 3  o 86.26347 2.854555 901.2471       59.47605 976.8618       86.42857 833.2294       81.97195 89.69581 3.982748 82.83114 4.090434 6.864670       5.709109 
1 1 1 -46 14 4  o 161.5798 2.842194 3169.376       111.0874 3127.301       155.3130 3213.447       158.9529 160.4851 4.000100 162.6746 4.038745 -2.189484      5.684388 
1 1 1 -46 14 5  o 153.7502 2.795974 2870.387       103.9920 2875.561       146.0245 2865.062       148.1320 153.8954 3.921911 153.6049 3.986039 0.2905121      5.591949 
1 1 1 -46 14 6  o 56.84038 3.507432 395.7603       47.92146 360.6881       69.67481 427.2454       66.01552 54.41093 5.292823 59.26983 4.603733 -4.858902      7.014865 
1 1 1 -46 14 7  o 162.7718 2.860378 3219.803       112.6342 3262.346       159.1501 3177.112       159.4280 163.8546 4.014633 161.6889 4.075509 2.165665       5.720756 
1 1 1 -46 14 8  o 28.22141 5.921717 100.0888       43.66539 84.74090       63.35601 113.9754       60.26431 26.54610 8.620595 29.89673 8.121100 -3.350634      11.84343 
1 1 1 -46 14 9  o 60.04785 3.381823 439.7245       49.12675 447.3760       69.78687 432.2080       69.16870 60.56769 4.762449 59.52802 4.802705 1.039677       6.763646 
1 1 1 -46 14 10 o 68.70550 3.151246 575.7941       52.37955 580.1089       73.99048 571.4594       74.16158 68.96633 4.434415 68.44466 4.478546 0.5216675      6.302493 
1 1 1 -46 14 11 o 41.28871 4.522753 210.4536       45.15540 206.6501       64.51814 214.1056       63.22040 40.90712 6.518995 41.67030 6.270876 -0.7631874     9.045506 
1 1 1 -46 14 12 o 16.76459 5.187027 -9.016133      39.62773 -26.10558      63.66902 1.790289       50.62967 16.81031 7.542704 16.71886 7.122405 0.9145546E-01  10.37405 
1 1 1 -46 14 13 o 86.31953 3.003237 914.0289       62.46254 815.6425       87.95442 1014.139       88.72132 81.57165 4.456728 91.06741 4.026824 -9.495766      6.006474 
1 1 1 -46 14 14 o 32.20658 5.594899 136.1149       43.53896 161.3923       62.87724 112.8306       60.34742 35.10178 7.622312 29.31139 8.192188 5.790390       11.18980 
1 1 1 -46 14 15 o 44.56945 4.525508 249.8269       47.92883 249.9243       75.05959 249.7599       62.27875 44.41377 6.985319 44.72513 5.755538 -0.3113556     9.051017 
1 1 1 -46 14 16 o 27.18042 6.072656 99.16664       45.14874 74.31546       73.00619 114.5569       57.45248 25.16850 9.199788 29.19235 7.929219 -4.023855      12.14531 
1 1 1 -46 14 17 o 54.81404 4.128193 382.9886       54.00573 373.5244       82.73861 390.0139       71.28592 53.98906 6.334322 55.63902 5.295683 -1.649963      8.256386 
1 1 1 -46 14 18 o 22.64355 6.810486 41.88341       53.46598 53.29160       57.50761 -30.82689      145.1827 21.51243 8.108587 23.77466 10.94448 -2.262226      13.62097 
1 1 1 -46 14 19 o 23.42743 6.821906 63.16586       53.67148 74.76963       57.68953 -11.53718      146.3748 23.31893 8.220486 23.53593 10.88932 -0.2169991     13.64381 
1 1 1 -46 16 1  o 99.05840 3.987305 1194.547       95.55932 1194.547       95.55932 0.000000       0.000000 99.05840 3.987305 ?        ?        ?              ?        
1 1 1 -46 16 2  o 107.8146 2.754348 1414.456       71.79358 1483.523       101.9561 1346.527       101.1120 110.4380 3.815860 105.1911 3.973027 5.246925       5.508696 
1 1 1 -46 16 3  o 89.80484 2.845743 981.5041       61.81446 1008.512       87.55270 954.6608       87.28561 91.04329 3.974837 88.56639 4.073534 2.476898       5.691486 
1 1 1 -46 16 4  o 71.41780 3.145182 621.2800       54.32408 645.5789       77.51293 597.8239       76.15673 72.79514 4.401183 70.04045 4.494248 2.754692       6.290364 
1 1 1 -46 16 5  o 65.03423 3.265043 514.8170       51.29995 554.9968       74.13091 477.8925       71.06438 67.47346 4.541131 62.59501 4.692562 4.878452       6.530085 
1 1 1 -46 16 7  f 64.69054 3.404692 513.8361       52.92662 484.1560       78.13302 539.0032       71.94802 62.91227 5.133303 66.46881 4.474028 -3.556538      6.809385 
1 1 1 -46 16 8  o 99.14873 2.870404 1194.434       68.74066 1114.507       94.27543 1285.166       100.4456 95.61568 4.075371 102.6818 4.043294 -7.066109      5.740808 
1 1 1 -46 16 9  o 136.8575 2.811626 2283.403       93.05930 2254.542       129.5003 2314.220       133.8173 135.9747 3.936500 137.7404 4.015585 -1.765671      5.623251 
1 1 1 -46 16 10 o 89.66563 4.021630 981.7170       87.24297 981.7170       87.24297 0.000000       0.000000 89.66563 4.021630 ?        ?        ?              ?        
1 1 1 -46 16 11 o 56.86025 3.864451 399.2119       53.09266 379.9660       75.58117 417.9599       74.59721 55.47205 5.631668 58.24845 5.293414 -2.776394      7.728901 
1 1 1 -46 16 12 o 77.87442 3.175939 745.3747       59.78174 772.3419       83.91702 717.5860       85.18555 79.33639 4.371952 76.41246 4.607861 2.923927       6.351877 
1 1 1 -46 16 13 o 42.63718 5.062200 236.7002       49.48597 163.9512       69.07091 313.4261       70.93373 35.12218 8.266044 50.15219 5.846025 -15.03001      10.12440 
1 1 1 -46 16 14 o 30.67553 5.763466 130.7103       47.42608 56.14380       72.54020 186.3778       62.67689 23.62771 9.058274 37.72335 7.128662 -14.09565      11.52693 
1 1 1 -46 16 15 o 65.11642 3.747484 532.2657       58.77968 516.6573       86.45602 545.6819       80.15515 64.10837 5.574144 66.12448 5.010335 -2.016113      7.494968 
1 1 1 -46 16 16 o 30.51920 5.188863 106.9450       51.74899 -39.13813      73.29768 252.1264       73.07109 16.95557 7.794657 44.08282 6.851315 -27.12725      10.37773 
1 1 1 -46 16 17 o 32.90630 6.502708 158.5790       53.82518 166.2271       73.25956 149.6076       79.34467 33.93195 8.836553 31.88064 9.542336 2.051311       13.00542 
1 1 1 -46 16 18 o 33.08292 5.848083 161.8509       55.24362 52.44569       79.63327 263.3494       76.70173 22.37933 9.185690 43.78650 7.240400 -21.40717      11.69617 
1 1 1 -46 18 1  o 115.7230 2.811348 1633.374       78.67307 1571.467       109.4311 1699.600       113.1849 113.4527 3.986794 117.9933 3.964869 -4.540627      5.622696 
1 1 1 -46 18 2  o 111.1897 2.874032 1509.030       77.28508 1567.682       110.1802 1452.221       108.4359 113.3276 4.018516 109.0519 4.109960 4.275658       5.748064 
1 1 1 -46 18 3  o 106.9962 2.847021 1397.087       73.69580 1380.609       103.7105 1413.893       104.7404 106.3580 4.030417 107.6344 4.022171 -1.276390      5.694043 
1 1 1 -46 18 4  o 75.35390 3.177760 695.2757       57.86579 666.9143       82.59945 722.6104       81.09058 73.81870 4.624966 76.88909 4.359165 -3.070396      6.355520 
1 1 1 -46 18 5  o 25.54005 5.938380 72.22616       43.34708 114.9772       67.22997 41.80930       56.70833 29.87589 8.743812 21.20422 8.037610 8.671667       11.87676 
1 1 1 -46 18 6  o 94.00732 2.935545 1079.105       66.74275 1102.165       95.93714 1057.477       92.91251 94.97472 4.175191 93.03992 4.127647 1.934799       5.871089 
1 1 1 -46 18 7  o 110.7290 2.863502 1485.771       76.39752 1654.907       114.2328 1348.901       102.7604 116.3819 4.056982 105.0762 4.042211 11.30573       5.727004 
1 1 1 -46 18 8  o 75.28996 3.292910 695.3900       59.98036 688.8207       84.66057 702.0107       84.99048 74.92997 4.670069 75.64995 4.643649 -0.7199783     6.585820 
1 1 1 -46 18 9  o 84.13501 3.110939 864.8019       63.06983 980.6680       92.03323 762.2061       86.60268 89.46629 4.251899 78.80372 4.542368 10.66257       6.221878 
1 1 1 -46 18 10 o 70.20575 3.456832 606.9896       58.69355 627.2490       84.33244 587.9572       81.73874 71.34177 4.885943 69.06973 4.891453 2.272041       6.913664 
1 1 1 -46 18 11 o 49.67554 4.365669 314.4484       51.35695 254.4076       74.95264 367.5829       70.51015 44.91761 6.897123 54.43348 5.354060 -9.515862      8.731339 
1 1 1 -46 18 12 o 25.77961 6.216498 81.71561       47.67686 53.81967       69.87879 106.0109       65.21325 23.22544 8.893766 28.33378 8.687941 -5.108339      12.43300 
1 1 1 -46 18 13 o 20.15218 5.938494 20.54466       47.99314 13.23337       71.65711 26.49239       64.63054 20.05201 8.505572 20.25236 8.289636 -0.2003422     11.87699 
1 1 1 -46 18 14 f 39.89346 5.604639 214.2340       51.92566 224.6750       78.13103 205.9739       69.49347 40.62510 8.231272 39.16182 7.608816 1.463272       11.20928 
1 1 1 -46 18 15 o 40.39500 5.825920 228.0132       55.62283 269.5320       76.16642 180.5677       81.42138 45.37347 6.938399 35.41653 9.360767 9.956936       11.65184 
1 1 1 -46 18 16 o 34.49576 6.637092 179.6608       57.53920 203.6196       77.36818 150.0087       86.07127 37.51036 8.694891 31.48116 10.03010 6.029198       13.27418 
1 1 1 -46 18 17 o 76.56099 3.795841 759.0348       69.99253 691.0847       93.80163 844.3944       105.1336 72.77166 5.327774 80.35031 5.408185 -7.578651      7.591682 
1 1 1 -46 20 1  o 27.83043 6.193306 99.18654       45.95560 99.95125       72.68459 98.67725       59.31624 28.09712 9.238804 27.56375 8.250617 0.5333633      12.38661 
1 1 1 -46 20 2  o 87.87553 3.139924 944.0231       66.57966 1040.687       97.90289 860.8538       90.81214 92.05357 4.395947 83.69749 4.484656 8.356079       6.279848 
1 1 1 -46 20 3  o 75.50697 3.387007 704.6058       61.62302 649.8568       88.61637 755.8710       85.75050 72.58346 5.046310 78.43049 4.519074 -5.847031      6.774015 
1 1 1 -46 20 4  o 75.89528 3.262054 713.1582       59.43272 626.1999       85.32438 795.1108       82.83212 71.27757 4.947866 80.51299 4.252365 -9.235428      6.524108 
1 1 1 -46 20 5  o 55.72320 4.287843 402.8109       55.19855 292.8128       82.51904 491.8872       74.25794 48.26200 7.067187 63.18439 4.857701 -14.92239      8.575686 
1 1 1 -46 20 6  o 96.47784 3.116057 1142.274       72.68474 1198.006       104.8548 1090.722       100.8459 98.74632 4.388994 94.20937 4.424475 4.536949       6.232114 
1 1 1 -46 20 7  o 50.46899 4.547761 326.8960       54.01417 268.4211       81.14577 373.4183       72.37888 46.07195 7.279928 54.86603 5.452630 -8.794086      9.095522 
1 1 1 -46 20 8  o 53.00892 4.294014 359.5812       53.63925 283.3647       78.58029 426.0785       73.39917 47.38662 6.854181 58.63121 5.174399 -11.24459      8.588027 
1 1 1 -46 20 9  o 129.8580 4.269484 2077.190       134.1364 0.000000       0.000000 2077.190       134.1364 ?        ?        129.8580 4.269484 ?              ?        
1 1 1 -46 20 10 o 114.6009 4.318561 1621.651       119.7373 0.000000       0.000000 1621.651       119.7373 ?        ?        114.6009 4.318561 ?              ?        
1 1 1 -46 20 11 f 63.56817 4.008297 511.9696       60.82443 418.5261       85.82832 606.2469       86.21043 57.47072 6.172793 69.66563 5.114921 -12.19491      8.016595 
1 1 1 -46 20 12 o 58.19484 4.226890 429.2894       59.15586 441.7318       89.11552 419.4876       79.09591 58.80868 6.263392 57.58100 5.677701 1.227680       8.453779 
1 1 1 -46 20 13 o 44.25100 5.578456 271.1675       56.92420 212.9144       84.02637 320.5807       77.38863 38.70747 9.122021 49.79453 6.423818 -11.08706      11.15691 
1 1 1 -46 20 14 o 37.59173 6.431687 210.3302       59.60138 270.8969       82.39165 143.8441       86.32394 44.10625 8.016417 31.07721 10.05999 13.02904       12.86337 
1 1 1 -46 20 15 o 23.84108 6.728170 62.57628       61.79269 106.8560       83.02888 7.600751       92.51482 26.99307 9.819450 20.68909 9.200624 6.303974       13.45634 
1 1 1 -46 20 16 o 18.47242 5.934578 -10.74253      58.79732 18.48415       79.27441 -46.47980      87.66051 19.63830 8.634399 17.30654 8.143956 2.331760       11.86916 
1 1 1 -46 22 1  o 26.81738 5.743868 60.17400       51.35304 189.9754       76.96286 -43.99168      68.94518 37.32955 8.685131 16.30520 7.519083 21.02435       11.48774 
1 1 1 -46 22 2  o 61.71645 4.066442 482.0410       60.18577 426.7518       87.14164 532.4713       83.22449 58.12308 6.196904 65.30983 5.267085 -7.186752      8.132884 
1 1 1 -46 22 3  o 33.58797 6.537991 154.7708       54.57166 152.1070       82.75497 156.8204       72.59184 33.24663 9.692616 33.92930 8.776929 -0.6826744     13.07598 
1 1 1 -46 22 4  o 107.9183 4.346827 1438.948       113.4932 1438.948       113.4932 0.000000       0.000000 107.9183 4.346827 ?        ?        ?              ?        
1 1 1 -46 22 5  o 55.93122 4.136921 394.2528       55.45645 385.5901       83.74358 401.0188       74.00983 55.22651 6.267605 56.63594 5.401259 -1.409431      8.273843 
1 1 1 -46 22 6  o 57.21476 6.019142 454.7166       69.43463 388.1023       131.7075 480.3566       81.71198 52.49586 10.73230 61.93366 5.453265 -9.437805      12.03828 
1 1 1 -46 22 7  o 18.18532 5.660189 -24.14435      51.53933 -87.38898      76.54797 28.30077       69.70668 15.46783 7.374782 20.90281 8.588571 -5.434986      11.32038 
1 1 1 -46 22 8  o 76.49512 3.485193 730.6483       64.49274 733.8917       92.00115 727.5146       90.43208 76.64616 4.961358 76.34406 4.896040 0.3021011      6.970386 
1 1 1 -46 22 9  o 35.84890 6.410770 182.7941       55.91963 153.8849       84.72529 205.1075       74.43488 32.94593 9.860437 38.75187 8.195346 -5.805931      12.82154 
1 1 1 -46 22 10 o 29.39612 6.689940 121.4605       54.87251 96.23614       82.34809 141.6054       73.59110 27.14956 9.793955 31.64268 9.115902 -4.493118      13.37988 
1 1 1 -46 22 11 o 35.43015 6.750560 183.2722       59.14951 183.8245       85.02636 182.7542       82.33846 35.42079 9.656609 35.43951 9.435579 -0.1871872E-01 13.50112 
1 1 1 -46 22 12 o 28.13955 6.518014 93.41521       58.76288 201.3351       87.96696 6.449958       78.96629 36.57372 9.759962 19.70538 8.641828 16.86834       13.03603 
1 1 1 -46 22 13 o 36.70366 6.869920 205.7368       62.65563 160.2184       84.35765 261.7447       93.57422 31.97987 9.893774 41.42746 9.533962 -9.447584      13.73984 
1 1 1 -46 22 14 o 49.37959 6.070210 382.3675       66.78795 480.7428       89.17444 256.6845       100.7942 59.61642 6.182614 39.14277 10.44821 20.47366       12.14042 
1 1 1 -46 24 7  o 29.22416 8.278109 105.2727       94.75713 162.8792       115.9870 -10.33670      164.3122 32.71526 11.64285 25.73305 11.77083 6.982214       16.55622 
1 1 1 -46 24 8  o 22.97194 7.617244 -49.02927      95.54507 -58.91731      112.7887 -23.90244      179.7957 20.05769 9.374012 25.88619 12.00906 -5.828501      15.23449 
1 1 1 -46 24 9  o 44.82843 9.716426 301.5980       105.6022 211.0648       122.3688 565.7347       209.0168 35.54015 11.99501 54.11671 15.28906 -18.57656      19.43285 
1 1 1 -46 24 10 o 41.15443 8.790683 339.7482       107.9652 403.6883       126.1140 164.3070       208.9019 50.54577 10.64890 31.76310 13.98948 18.78267       17.58137 
1 1 1 -46 24 11 o 29.95139 7.915743 143.5898       99.88966 256.6330       117.1046 -158.3581      191.3894 37.99133 11.64106 21.91145 10.72948 16.07989       15.83149 
1 1 1 -45 1  1  o 35.26289 4.440949 155.9927       36.48705 122.4536       52.16484 188.1187       51.05404 31.13716 7.084206 39.38862 5.357437 -8.251467      8.881898 
1 1 1 -45 1  2  o 54.96908 3.083148 365.0792       40.86396 409.7928       59.36541 324.8149       56.33439 58.16179 4.218844 51.77637 4.497174 6.385414       6.166297 
1 1 1 -45 1  3  o 305.1709 4.698552 11436.61       305.3923 11587.20       356.9764 11025.58       589.7796 309.2173 4.771703 301.1245 8.095455 8.092773       9.397103 
1 1 1 -45 1  4  o 183.1183 3.317351 4016.293       126.3640 3972.035       145.0222 4155.860       257.5313 181.1269 3.309398 185.1097 5.750405 -3.982803      6.634703 
1 1 1 -45 1  5  o 211.5067 3.599683 5502.358       161.8449 5592.703       189.1260 5255.206       312.8121 214.9045 3.637504 208.1089 6.212845 6.795578       7.199367 
1 1 1 -45 1  6  o 222.0852 3.724046 6003.361       174.1349 6027.782       201.8078 5932.183       344.5363 223.0974 3.738877 221.0730 6.441650 2.024460       7.448091 
1 1 1 -45 1  7  o 407.3836 6.083910 20099.51       515.6697 20001.30       592.9110 20404.52       1044.847 405.9967 6.036216 408.7705 10.56503 -2.773865      12.16782 
1 1 1 -45 1  8  o 337.3913 5.155290 13698.97       359.6893 13574.43       411.9181 14098.75       738.0492 334.6006 5.088407 340.1819 8.967507 -5.581329      10.31058 
1 1 1 -45 1  9  o 362.0438 5.493190 15739.18       409.1926 15554.31       467.2581 16347.41       847.5433 358.0828 5.393505 366.0047 9.571345 -7.921844      10.98638 
1 1 1 -45 1  10 o 172.4159 2.783130 3599.741       116.0604 3507.724       161.8150 3697.229       166.5562 170.1484 3.930869 174.6833 3.941004 -4.534973      5.566260 
1 1 1 -45 1  11 o 181.3069 2.849708 3984.030       124.9978 4004.722       177.6567 3963.745       175.9036 181.7723 4.039723 180.8416 4.020445 0.9306641      5.699416 
1 1 1 -45 1  12 o 236.3560 3.365467 6767.503       192.2311 6525.134       264.2786 7039.809       280.1244 231.8784 4.710851 240.8336 4.807635 -8.955185      6.730934 
1 1 1 -45 1  13 o 40.31420 3.721275 197.3156       36.26086 209.5517       52.37374 186.0503       50.25315 41.51463 5.214468 39.11377 5.310450 2.400860       7.442550 
1 1 1 -45 1  14 o 39.12403 3.750885 186.5359       35.43588 201.1938       50.39201 172.1971       49.84035 40.65428 5.123340 37.59379 5.479774 3.060493       7.501769 
1 1 1 -45 1  15 o 71.86617 2.620622 627.6683       45.44250 689.9991       65.03230 568.1934       63.52501 75.36510 3.566618 68.36725 3.840558 6.997849       5.241245 
1 1 1 -45 1  16 o 63.50877 2.893937 493.1549       44.07763 575.9166       63.02571 413.9236       61.66686 68.77504 3.787779 58.24251 4.376324 10.53253       5.787873 
1 1 1 -45 1  17 o 44.69909 3.668759 246.8735       39.44299 228.0578       57.45663 263.6437       54.24356 43.03349 5.518631 46.36470 4.835690 -3.331215      7.337519 
1 1 1 -45 1  18 o 52.69921 3.070653 341.5992       39.01437 310.4873       55.34337 372.3346       55.00748 50.27153 4.550312 55.12688 4.124355 -4.855347      6.141306 
1 1 1 -45 1  19 o 42.32959 3.539196 221.9650       36.23341 214.8154       50.57212 229.5061       51.93876 41.62628 5.021590 43.03291 4.988714 -1.406628      7.078392 
1 1 1 -45 1  20 o 33.21119 4.536044 143.7120       35.38575 95.41304       48.69502 197.7555       51.50951 26.72120 7.317408 39.70118 5.362678 -12.97998      9.072088 
1 1 1 -45 3  1  o 196.7726 3.473824 4697.297       143.2240 4701.306       165.4392 4685.307       286.1454 197.0398 3.470422 196.5053 6.018802 0.5344391      6.947647 
1 1 1 -45 3  2  o 157.5373 3.103742 3044.453       103.4941 3085.601       120.5630 2929.208       201.7662 159.6470 3.121411 155.4276 5.365598 4.219391       6.207483 
1 1 1 -45 3  3  o 264.6687 4.210711 8630.769       238.2141 8787.614       279.3723 8212.969       455.9651 269.3252 4.287498 260.0122 7.248290 9.312958       8.421422 
1 1 1 -45 3  4  f 389.7729 5.816312 18582.65       478.8052 18694.33       556.1826 18262.94       941.0261 392.5706 5.855950 386.9752 10.05116 5.595367       11.63262 
1 1 1 -45 3  5  o 50.05046 4.111156 333.5399       40.59454 360.0697       46.75887 252.3498       81.79916 54.52982 3.544276 45.57110 7.419198 8.958717       8.222311 
1 1 1 -45 3  6  f 195.4470 3.439777 4772.913       144.8811 4959.514       171.7074 4311.719       269.9435 202.3763 3.506929 188.5178 5.918591 13.85852       6.879554 
1 1 1 -45 3  7  o 201.2414 3.507575 4875.232       146.9695 4842.618       168.9259 4976.800       298.1064 199.9744 3.491559 202.5083 6.084518 -2.533905      7.015151 
1 1 1 -45 3  8  o 199.2668 3.677701 4861.770       168.7003 4971.530       209.9011 4661.511       283.5219 202.5540 4.283231 195.9795 5.979620 6.574539       7.355401 
1 1 1 -45 3  9  o 154.7327 3.082199 2939.081       100.2990 2978.534       116.4489 2825.699       197.4101 156.8428 3.068800 152.6226 5.346238 4.220215       6.164397 
1 1 1 -45 3  10 o 64.19498 3.468736 521.6190       45.78179 543.1716       52.99100 458.1797       90.91433 66.97029 3.270526 61.41967 6.118185 5.550625       6.937472 
1 1 1 -45 3  11 o 95.16829 3.016534 1103.521       58.96018 1108.420       67.52773 1087.805       120.9450 95.67225 2.917386 94.66434 5.280793 1.007912       6.033069 
1 1 1 -45 3  12 o 229.2371 3.825885 6468.958       185.7173 6561.220       216.4821 6211.779       361.4323 232.6279 3.846431 225.8463 6.614723 6.781555       7.651771 
1 1 1 -45 3  13 o 50.80403 3.778036 281.3478       39.27275 256.4552       44.06345 377.5134       86.60705 45.97217 3.961696 55.63590 6.434219 -9.663731      7.556071 
1 1 1 -45 3  14 o 94.29115 2.442183 1078.250       55.69014 1036.410       77.88161 1122.028       79.66413 92.41786 3.483186 96.16445 3.424097 -3.746590      4.884365 
1 1 1 -45 3  15 o 58.50126 2.895003 415.7595       40.94042 397.9975       56.54813 435.3255       59.35047 57.19096 4.086848 59.81156 4.101444 -2.620602      5.790006 
1 1 1 -45 3  16 o 94.70622 2.516346 1089.923       57.61091 1035.547       79.83271 1149.012       83.22114 92.24207 3.577251 97.17037 3.539953 -4.928299      5.032692 
1 1 1 -45 3  17 f 73.60130 2.724043 660.6851       48.48362 688.1511       69.68805 634.9193       67.49684 75.08530 3.836198 72.11730 3.868492 2.968002       5.448087 
1 1 1 -45 3  18 o 20.55095 5.414651 42.71984       36.19315 25.72278       58.01411 53.55082       46.31065 19.68733 7.928519 21.41456 7.376476 -1.727230      10.82930 
1 1 1 -45 3  19 o 21.11348 5.000098 45.56120       34.00089 90.90743       47.62914 -1.561651      48.55321 26.28832 7.252607 15.93863 6.885029 10.34969       10.00020 
1 1 1 -45 3  20 o 34.73024 4.448947 155.5710       36.51602 173.4650       52.75273 139.1093       50.59758 37.01818 5.890166 32.44230 6.669218 4.575882       8.897894 
1 1 1 -45 5  1  o 227.7315 3.813123 6389.597       184.7466 6504.063       216.0803 6078.525       356.2114 231.7252 3.854246 223.7379 6.580608 7.987381       7.626245 
1 1 1 -45 5  2  f 436.5967 6.486962 23171.82       591.0693 23119.52       681.0980 23331.35       1189.557 436.3934 6.451031 436.8000 11.25642 -0.4066162     12.97392 
1 1 1 -45 5  3  o 61.95941 3.788049 499.5752       46.36518 528.4056       53.06533 406.5437       95.32360 66.06085 3.320201 57.85796 6.809810 8.202888       7.576097 
1 1 1 -45 5  4  o 156.6679 3.147565 3039.349       104.1171 3111.305       121.4612 2839.976       202.1787 160.3076 3.131706 153.0282 5.460867 7.279434       6.295130 
1 1 1 -45 5  5  o 145.1915 3.043373 2463.198       89.85159 2390.468       101.6370 2723.379       192.2355 140.5202 2.989585 149.8629 5.301968 -9.342728      6.086747 
1 1 1 -45 5  6  o 89.09764 3.016752 920.8724       54.73087 888.2201       61.86663 1038.430       117.3881 85.65533 2.985381 92.53995 5.243154 -6.884613      6.033504 
1 1 1 -45 5  7  o 232.0469 3.837654 6723.663       192.5732 6980.848       228.6674 6096.371       357.1218 240.0525 3.937275 224.0413 6.588492 16.01126       7.675308 
1 1 1 -45 5  8  o 172.5921 3.434906 3564.990       133.2058 3488.507       160.0957 3737.062       240.1325 169.6928 3.899545 175.4914 5.655783 -5.798569      6.869813 
1 1 1 -45 5  9  o 304.2954 4.690349 11503.67       307.6783 11825.65       363.6483 10692.44       577.2099 312.2859 4.813122 296.3050 8.051792 15.98090       9.380698 
1 1 1 -45 5  10 o 311.2867 4.839984 11737.89       313.3289 11691.81       360.2548 11881.02       634.9039 310.4702 4.796093 312.1032 8.408286 -1.632996      9.679968 
1 1 1 -45 5  11 o 106.3973 3.000488 1351.217       65.31288 1332.815       74.34584 1413.445       136.7119 104.9040 2.929290 107.8906 5.237459 -2.986595      6.000977 
1 1 1 -45 5  12 o 116.1373 2.945677 1615.375       69.94868 1597.277       79.65088 1676.383       146.2413 114.8264 2.867124 117.4481 5.146615 -2.621696      5.891354 
1 1 1 -45 5  13 o 22.94685 4.713104 69.87848       36.72205 116.4100       40.54932 -142.2962      86.58785 30.42501 5.718662 15.46869 7.493350 14.95632       9.426208 
1 1 1 -45 5  14 o 70.75083 3.425421 608.6771       47.78103 607.9774       53.77150 611.3028       104.1674 70.79278 3.139503 70.70889 6.089136 0.8389282E-01  6.850843 
1 1 1 -45 5  15 o 20.05787 5.542566 34.64830       35.22221 45.23694       39.33251 -8.218918      79.13964 19.93201 6.800144 20.18373 8.754325 -0.2517147     11.08513 
1 1 1 -45 5  16 f 23.58501 5.215253 67.03455       34.48988 38.48846       49.28651 94.42793       48.28114 20.07015 7.518052 27.09988 7.230100 -7.029728      10.43051 
1 1 1 -45 5  17 o 14.65047 4.560103 -24.65577      33.50769 14.85435       47.17139 -64.89669      47.60564 17.30242 7.082067 11.99853 5.746521 5.303882       9.120207 
1 1 1 -45 5  18 o 62.20172 2.914214 470.7153       43.09399 604.3896       64.09586 360.4422       58.21579 70.26534 3.770392 54.13810 4.444628 16.12724       5.828428 
1 1 1 -45 5  19 o 29.44359 5.168678 98.14648       38.63148 196.5497       64.55775 43.25342       48.21726 38.71305 7.156289 20.17413 7.459790 18.53893       10.33736 
1 1 1 -45 5  20 o 15.60487 4.779190 -0.8100092     33.26124 -1.847200      47.23336 0.2102400      46.84603 15.55251 6.754398 15.65723 6.763188 -0.1047153     9.558379 
1 1 1 -45 7  1  o 137.4971 3.124365 2232.528       87.56463 2184.237       99.32786 2400.952       185.4986 134.3131 3.056682 140.6811 5.450075 -6.367950      6.248730 
1 1 1 -45 7  2  o 283.6730 4.520933 9687.576       264.8785 9610.861       303.2368 9934.563       544.1021 281.6045 4.450820 285.7414 7.870548 -4.136871      9.041865 
1 1 1 -45 7  3  o 237.4785 3.933232 6980.587       199.5411 7145.996       234.2911 6543.724       380.7587 242.8704 3.987300 232.0867 6.781055 10.78374       7.866465 
1 1 1 -45 7  4  o 148.0643 3.143462 2640.580       95.50517 2626.251       109.0671 2687.686       197.7593 147.2797 3.060894 148.8488 5.491478 -1.569046      6.286923 
1 1 1 -45 7  5  o 130.4782 3.012093 1998.227       80.22605 1945.081       90.95818 2184.414       170.2482 126.7514 2.966107 134.2051 5.243379 -7.453705      6.024186 
1 1 1 -45 7  6  f 265.2114 4.230457 8755.107       241.9865 9036.765       286.4028 8052.351       452.3971 273.0725 4.335080 257.3503 7.265957 15.72220       8.460914 
1 1 1 -45 7  7  o 153.5025 3.165522 2944.377       102.4720 3043.327       119.7995 2674.598       197.8113 158.5356 3.123387 148.4694 5.506958 10.06619       6.331045 
1 1 1 -45 7  8  o 16.70333 5.346650 -29.52008      44.03062 -2.223420      50.65892 -113.8370      89.03455 16.60015 7.099420 16.80651 7.996556 -0.2063618     10.69330 
1 1 1 -45 7  9  o 97.57768 3.131414 1140.176       61.59432 1128.844       69.73896 1180.369       131.3387 96.55019 2.985521 98.60519 5.505422 -2.055000      6.262827 
1 1 1 -45 7  10 o 260.2922 4.229528 8232.239       229.3521 8229.209       264.1448 8241.523       462.3371 260.5129 4.190930 260.0715 7.347908 0.4414368      8.459057 
1 1 1 -45 7  11 o 244.0239 4.050518 7242.575       205.2417 7242.723       236.0372 7242.118       415.5719 244.3675 3.992407 243.6803 7.048934 0.6871948      8.101036 
1 1 1 -45 7  12 o 149.2003 3.324847 2719.291       112.4378 2746.446       137.2549 2663.891       196.0479 150.4588 3.770579 147.9418 5.477331 2.516953       6.649693 
1 1 1 -45 7  13 o 34.32389 5.729898 157.2566       38.68639 164.7150       42.60226 122.1892       92.37643 36.79174 4.786082 31.85605 10.41251 4.935684       11.45980 
1 1 1 -45 7  14 o 83.79517 3.348975 819.5366       53.93367 797.1369       59.80011 917.1921       124.8619 81.04617 3.049771 86.54418 5.963341 -5.498016      6.697950 
1 1 1 -45 7  15 o 134.3172 3.165828 2218.695       85.92946 2232.363       97.82336 2172.516       179.8065 135.5698 2.982479 133.0647 5.585221 2.505066       6.331656 
1 1 1 -45 7  16 o 82.80681 3.415725 782.8220       54.15612 748.6735       59.78551 938.9649       127.8414 78.44283 3.150217 87.17079 6.061753 -8.727966      6.831450 
1 1 1 -45 7  17 o 25.22557 6.260405 29.60480       39.75683 3.431176       43.53426 161.0946       97.57651 15.64842 6.633202 34.80273 10.61938 -19.15430      12.52081 
1 1 1 -45 7  18 o 23.28267 4.891296 56.26693       37.04881 128.0883       51.18995 -22.73880      53.68921 31.27347 6.946293 15.29188 6.888259 15.98159       9.782592 
1 1 1 -45 7  19 o 22.77493 5.377831 59.56042       36.56594 96.50497       53.72109 27.66828       49.91275 26.90482 7.799520 18.64504 7.406196 8.259775       10.75566 
1 1 1 -45 7  20 o 19.82093 6.092970 17.29641       44.68814 -34.08685      112.0786 27.00943       48.72915 21.39252 9.760696 18.24933 7.295610 3.143196       12.18594 
1 1 1 -45 9  1  o 182.9942 3.463012 4194.101       134.1579 4347.564       157.3029 3784.652       256.9417 189.4563 3.431828 176.5322 6.016008 12.92409       6.926023 
1 1 1 -45 9  2  o 155.6822 3.300155 2954.808       105.6392 2969.544       121.0683 2907.793       216.2479 156.5944 3.195597 154.7701 5.775141 1.824326       6.600310 
1 1 1 -45 9  3  f 74.36483 3.580697 622.3281       52.59085 590.1844       58.54944 756.5735       119.6535 69.80531 3.466825 78.92435 6.266313 -9.119034      7.161393 
1 1 1 -45 9  4  o 47.09423 5.534544 297.5409       45.85136 310.3116       50.80974 241.5229       106.4151 50.60310 4.150187 43.58537 10.26161 7.017727       11.06909 
1 1 1 -45 9  5  o 44.10147 5.639547 254.1176       44.28289 261.0945       48.85798 222.0107       104.8097 46.41216 4.351123 41.79078 10.40604 4.621387       11.27909 
1 1 1 -45 9  6  o 155.5204 3.227191 2965.423       104.5898 2998.196       120.8065 2867.341       208.9892 157.3462 3.173453 153.6947 5.620342 3.651489       6.454382 
1 1 1 -45 9  7  o 194.5161 3.558599 4702.455       145.7097 4824.656       169.8383 4361.689       283.6127 199.5660 3.517603 189.4663 6.187161 10.09969       7.117198 
1 1 1 -45 9  8  o 347.7256 5.648073 14776.62       447.7090 14842.29       548.8605 14646.04       773.9584 349.3527 6.493752 346.0985 9.243056 3.254120       11.29615 
1 1 1 -45 9  9  o 152.2737 3.300084 2922.851       104.1000 3034.497       120.8057 2600.833       205.1666 158.2698 3.154909 146.2777 5.797307 11.99214       6.600168 
1 1 1 -45 9  10 o 21.46162 6.181647 15.64342       38.75536 7.633879       42.29049 57.63236       96.82922 16.02817 6.647609 26.89507 10.42403 -10.86690      12.36329 
1 1 1 -45 9  11 o 178.9435 3.408101 3873.980       125.1310 3858.022       142.9667 3926.234       258.7068 178.3841 3.312656 179.5029 5.957089 -1.118759      6.816202 
1 1 1 -45 9  12 o 123.9751 3.181593 1853.476       77.80759 1842.447       87.46665 1895.301       170.3313 123.2795 2.932575 124.6706 5.647135 -1.391014      6.363186 
1 1 1 -45 9  13 o 70.86700 3.718140 608.4330       50.72720 605.4407       56.57613 620.7020       114.5591 70.61850 3.311406 71.11552 6.658293 -0.4970169     7.436281 
1 1 1 -45 9  14 o 58.41222 4.632483 450.2684       48.80044 467.4096       54.08137 375.1339       113.2262 61.98750 3.606129 54.83694 8.534367 7.150562       9.264965 
1 1 1 -45 9  15 o 85.74401 3.700402 890.5918       57.44638 884.5004       62.93791 920.9995       140.6188 85.29337 3.049964 86.19466 6.743116 -0.9012909     7.400804 
1 1 1 -45 9  16 o 104.5622 3.586857 1390.301       81.99131 1458.420       98.45628 1236.169       148.1001 109.2917 3.723523 99.83279 6.131683 9.458870       7.173714 
1 1 1 -45 9  17 o 32.78770 5.890923 171.5596       45.54846 201.1405       50.06900 29.57763       109.6931 40.32976 5.131460 25.24565 10.60566 15.08411       11.78185 
1 1 1 -45 9  18 o 46.00058 5.914791 266.4433       47.28232 260.1847       51.48176 300.1785       119.5245 45.84459 4.641550 46.15657 10.88095 -0.3119812     11.82958 
1 1 1 -45 9  19 o 31.36849 5.654830 164.6615       47.04725 204.7628       52.17360 -9.846520      108.8377 40.34665 5.344918 22.39033 9.966958 17.95632       11.30966 
1 1 1 -45 9  20 o 29.80892 8.515981 125.9570       64.47484 125.9570       64.47484 0.000000       0.000000 29.80892 8.515981 ?        ?        ?              ?        
1 1 1 -45 11 1  o 267.4229 4.378205 8599.105       239.9170 8514.620       273.5807 8880.429       499.2253 264.9763 4.267524 269.8695 7.646108 -4.893188      8.756411 
1 1 1 -45 11 2  o 122.1481 2.652487 1808.126       78.38245 1811.923       111.4842 1804.415       110.2256 122.2739 3.768576 122.0224 3.733710 0.2515411      5.304975 
1 1 1 -45 11 3  o 39.90018 4.594704 197.1419       43.03913 225.7592       61.33239 169.3779       60.41112 43.10592 5.880993 36.69445 7.061100 6.411461       9.189407 
1 1 1 -45 11 4  o 178.2561 4.142474 3852.163       178.6514 0.000000       0.000000 3852.163       178.6514 ?        ?        178.2561 4.142474 ?              ?        
1 1 1 -45 11 5  o 167.6110 2.849380 3405.618       115.5408 3409.389       162.6752 3401.780       164.1334 167.7064 4.009308 167.5156 4.049854 0.1907654      5.698761 
1 1 1 -45 11 6  o 250.6797 3.555402 7620.046       215.4793 7426.582       298.0069 7832.021       311.9377 247.3569 4.979662 254.0025 5.076071 -6.645508      7.110804 
1 1 1 -45 11 7  o 161.1679 2.817869 3140.994       109.7256 3337.395       160.1409 2967.195       150.6450 165.9034 3.989741 156.4324 3.980391 9.470932       5.635738 
1 1 1 -45 11 8  o 63.39714 4.925837 486.5631       72.33245 477.9298       89.75504 502.5580       122.1690 62.67194 5.919478 64.12234 7.874976 -1.450405      9.851674 
1 1 1 -45 11 9  o 137.0000 2.653140 2274.974       87.90676 2215.954       122.3232 2338.009       126.4156 135.1648 3.740615 138.8351 3.763562 -3.670303      5.306279 
1 1 1 -45 11 10 o 30.00003 4.872705 117.4264       38.56942 35.93817       56.93684 186.5300       52.43200 20.86617 8.019057 39.13390 5.537848 -18.26773      9.745411 
1 1 1 -45 11 11 o 72.82646 2.891414 644.6975       50.87965 603.6069       71.57811 686.6643       72.33730 70.47120 4.198230 75.18172 3.976928 -4.710518      5.782827 
1 1 1 -45 11 12 o 40.70409 4.173857 201.3849       40.95881 222.1459       61.00275 184.3428       55.26969 42.59961 5.918906 38.80856 5.886500 3.791054       8.347714 
1 1 1 -45 11 13 f 99.66905 3.739072 1272.959       79.27477 1344.935       93.80956 1093.159       148.2685 105.1337 3.688100 94.20437 6.505424 10.92936       7.478143 
1 1 1 -45 11 14 o 56.14775 5.051064 378.7999       49.05464 373.2728       53.10463 410.9459       128.0697 55.31578 3.968086 56.97972 9.290173 -1.663937      10.10213 
1 1 1 -45 11 15 o 69.11106 4.276253 551.5528       53.42779 532.4545       58.16806 654.6104       135.1221 66.05912 3.639565 72.16300 7.739440 -6.103882      8.552506 
1 1 1 -45 11 16 o 52.64503 6.193820 423.6608       52.05742 452.7117       56.93058 275.4313       128.5977 60.80907 3.869679 44.48100 11.76772 16.32807       12.38764 
1 1 1 -45 11 17 o 56.95527 6.018657 475.0196       54.72577 498.4018       59.84492 355.6217       135.2333 63.70154 3.883068 50.20899 11.39380 13.49255       12.03731 
1 1 1 -45 11 18 o 50.30077 5.960687 339.1171       53.15982 339.8794       58.68914 335.6335       125.4555 52.28613 4.639476 48.31541 10.98155 3.970718       11.92137 
1 1 1 -45 11 19 o 28.66159 6.610659 119.8004       49.29783 133.6243       53.93611 49.63712       121.5116 31.33573 7.257143 25.98744 11.05157 5.348289       13.22132 
1 1 1 -45 11 20 o 42.54748 6.576320 240.4791       67.69539 240.4791       67.69539 0.000000       0.000000 42.54748 6.576320 ?        ?        ?              ?        
1 1 1 -45 13 1  o 89.51487 2.825566 968.1439       61.05204 887.9399       83.45795 1060.472       89.54424 85.54125 4.032643 93.48849 3.958924 -7.947235      5.651132 
1 1 1 -45 13 2  o 86.74944 2.897710 908.6973       60.58229 803.9208       82.80863 1029.358       88.86412 81.38826 4.205441 92.11063 3.987626 -10.72237      5.795420 
1 1 1 -45 13 3  o 100.0717 2.766432 1211.758       66.82672 1332.813       96.94941 1102.175       92.24081 104.8279 3.822664 95.31544 3.999977 9.512436       5.532863 
1 1 1 -45 13 4  o 137.6094 2.720856 2297.192       90.56445 2352.219       128.0282 2242.080       128.1268 139.2637 3.799843 135.9552 3.895308 3.308456       5.441712 
1 1 1 -45 13 5  o 76.44987 2.952160 709.5052       54.51027 656.6730       76.52659 763.9200       77.66434 73.55250 4.300437 79.34724 4.045643 -5.794746      5.904319 
1 1 1 -45 13 6  o 135.5928 2.685252 2230.128       88.08348 2220.944       123.7435 2239.562       125.4109 135.3116 3.779941 135.8741 3.815017 -0.5625000     5.370503 
1 1 1 -45 13 7  o 56.23721 4.715594 398.2893       57.31918 358.3581       106.0146 414.7841       68.13709 54.05923 8.105758 58.41518 4.821205 -4.355949      9.431189 
1 1 1 -45 13 8  o 121.2333 3.474669 1611.706       89.55444 1444.182       102.1325 2168.947       186.2721 109.0753 3.870216 133.3913 5.771890 -24.31595      6.949337 
1 1 1 -45 13 9  o 170.3190 2.862133 3522.322       117.8869 3460.394       163.8205 3588.832       169.7734 168.7737 4.012002 171.8643 4.083021 -3.090607      5.724266 
1 1 1 -45 13 10 o 45.41783 3.941691 250.8378       43.18645 266.7138       64.13214 237.6653       58.41688 46.71885 5.673896 44.11682 5.473081 2.602024       7.883382 
1 1 1 -45 13 11 o 171.8234 2.889141 3594.005       120.0938 3574.306       168.6302 3614.278       171.0728 171.3506 4.067686 172.2963 4.103958 -0.9457092     5.778281 
1 1 1 -45 13 12 o 14.45790 4.712012 -46.04983      38.01505 -18.99792      58.19116 -66.19025      50.21024 16.45403 7.308043 12.46177 5.950186 3.992258       9.424024 
1 1 1 -45 13 13 o 50.83198 3.799092 318.3900       46.55872 306.9006       67.98138 328.5400       63.89627 49.92677 5.628002 51.73718 5.104702 -1.810413      7.598183 
1 1 1 -45 13 14 o 50.49632 3.830452 313.0664       46.60344 355.7485       68.24120 275.7621       63.79742 53.73672 5.248959 47.25592 5.580134 6.480804       7.660905 
1 1 1 -45 13 15 o 35.46883 5.321555 162.9341       44.08608 183.4607       66.27776 146.6448       59.04197 37.48042 7.569717 33.45723 7.481656 4.023186       10.64311 
1 1 1 -45 13 16 o 52.06802 3.885691 335.1244       48.66143 363.2372       73.83025 313.5317       64.70451 53.93669 5.657802 50.19934 5.327632 3.737354       7.771382 
1 1 1 -45 13 17 o 26.94643 7.067164 0.6720527      59.76313 -61.42044      67.72098 219.2742       127.0665 15.28080 7.180327 38.61205 12.17465 -23.33125      14.13433 
1 1 1 -45 13 18 o 23.23709 6.918227 43.21685       49.82521 48.13034       53.12350 7.293278       143.6419 20.85472 7.806532 25.61947 11.42390 -4.764748      13.83645 
1 1 1 -45 13 19 o 35.78432 7.335949 184.6541       54.63990 180.5304       59.05830 209.1612       143.9732 36.35780 6.967617 35.21083 12.91189 1.146965       14.67190 
1 1 1 -45 15 1  o 190.6845 3.050830 4415.872       140.6130 4293.828       193.8078 4551.516       204.3222 187.9182 4.262851 193.4507 4.365589 -5.532471      6.101661 
1 1 1 -45 15 2  o 26.36813 5.993718 82.96618       44.21647 59.62162       63.77155 104.5794       61.36115 23.91615 8.620110 28.82010 8.330207 -4.903950      11.98744 
1 1 1 -45 15 3  o 155.4997 2.832395 2936.563       106.5233 2913.085       148.5180 2961.438       152.8697 154.8664 3.963872 156.1329 4.046919 -1.266556      5.664789 
1 1 1 -45 15 4  o 74.40590 3.028217 672.5446       54.40945 617.5082       75.92447 730.6478       78.01113 71.26819 4.403356 77.54361 4.158227 -6.275421      6.056434 
1 1 1 -45 15 5  o 174.7932 2.929995 3712.882       123.8890 3713.994       173.7699 3711.733       176.6772 174.8266 4.108323 174.7598 4.178655 0.6678772E-01  5.859990 
1 1 1 -45 15 6  o 109.7121 2.729984 1461.194       72.42956 1429.642       100.5792 1495.181       104.3887 108.4861 3.832053 110.9380 3.889297 -2.451851      5.459969 
1 1 1 -45 15 7  o 36.95757 5.239317 173.3769       44.83681 176.2943       68.52462 171.1928       59.29064 37.14554 7.869654 36.76959 6.918838 0.3759499      10.47863 
1 1 1 -45 15 8  o 57.95028 3.728772 410.4683       52.23844 424.9021       73.44684 395.6919       74.31339 58.99528 5.145807 56.90529 5.397742 2.089989       7.457543 
1 1 1 -45 15 9  o 102.7023 2.794007 1285.637       69.32271 1330.985       96.64607 1237.582       99.49001 104.5910 3.819333 100.8135 4.079044 3.777512       5.588015 
1 1 1 -45 15 10 o 57.35590 3.606606 406.9947       49.34203 332.4823       70.26589 479.4818       69.30437 52.05461 5.579343 62.65720 4.571802 -10.60259      7.213213 
1 1 1 -45 15 11 o 54.42146 3.665611 363.4776       48.12238 362.4936       70.74419 364.3250       65.65146 54.32282 5.382773 54.52010 4.977204 -0.1972771     7.331222 
1 1 1 -45 15 12 f 69.68202 3.207966 594.8041       54.06717 576.1355       76.08840 613.8444       76.84223 68.56800 4.586640 70.79604 4.486304 -2.228035      6.415932 
1 1 1 -45 15 13 o 53.68875 3.854598 356.4307       49.96091 351.8036       72.79556 360.5510       68.69355 53.31872 5.643167 54.05878 5.252274 -0.7400665     7.709196 
1 1 1 -45 15 14 o 29.34280 5.813573 106.0776       46.02909 174.6474       68.63701 50.03710       62.05017 36.36222 8.017631 22.32339 8.420697 14.03884       11.62715 
1 1 1 -45 15 15 o 59.02697 3.876950 434.4372       55.16637 438.3725       81.67783 431.1360       74.80810 59.19888 5.702804 58.85506 5.253666 0.3438225      7.753901 
1 1 1 -45 15 16 o 32.89658 5.948035 143.8126       47.98353 191.8418       72.91987 107.1335       63.72392 37.60103 8.243024 28.19212 8.577240 9.408907       11.89607 
1 1 1 -45 15 17 o 55.71353 4.135314 397.0838       55.18281 387.9312       83.46198 404.1923       73.55419 54.91917 6.281486 56.50789 5.380170 -1.588722      8.270628 
1 1 1 -45 15 18 o 78.18338 3.354303 781.2449       62.69854 663.2283       89.99771 892.5411       87.39771 72.06930 5.161535 84.29747 4.285319 -12.22817      6.708607 
1 1 1 -45 15 19 o 43.11320 7.509566 314.4349       73.66712 279.3575       147.3905 326.1154       85.05264 37.76584 13.15101 48.46057 7.254325 -10.69473      15.01913 
1 1 1 -45 17 1  o 90.22615 2.976265 992.4283       64.96042 1015.221       92.31065 970.0674       91.43147 91.25702 4.181030 89.19528 4.236932 2.061737       5.952529 
1 1 1 -45 17 2  o 20.04596 5.360153 16.12434       41.28722 -50.06918      59.74592 76.62804       57.12044 14.92031 6.922102 25.17160 8.185930 -10.25129      10.72031 
1 1 1 -45 17 3  o 157.4550 2.883593 3018.991       109.8227 3111.898       156.4535 2928.745       154.1964 159.8511 4.045457 155.0588 4.110318 4.792236       5.767186 
1 1 1 -45 17 4  o 58.90726 3.553468 423.6939       50.61495 442.7803       72.87085 405.9021       70.35606 60.19030 5.004089 57.62423 5.046545 2.566067       7.106935 
1 1 1 -45 17 5  o 116.1382 3.920629 1642.237       110.1623 0.000000       0.000000 1642.237       110.1623 ?        ?        116.1382 3.920629 ?              ?        
1 1 1 -45 17 6  o 93.41486 4.007810 1063.136       90.57855 1063.136       90.57855 0.000000       0.000000 93.41486 4.007810 ?        ?        ?              ?        
1 1 1 -45 17 7  o 68.53931 3.356709 576.5515       55.43146 540.4465       80.41292 609.2419       76.51601 66.44682 5.002064 70.63178 4.477647 -4.184959      6.713417 
1 1 1 -45 17 8  o 105.0318 3.965796 1345.328       100.7752 1345.328       100.7752 0.000000       0.000000 105.0318 3.965796 ?        ?        ?              ?        
1 1 1 -45 17 9  o 74.33401 3.223250 676.7490       57.93050 658.2296       82.59863 694.6774       81.26974 73.31354 4.656787 75.35448 4.457769 -2.040939      6.446500 
1 1 1 -45 17 10 o 33.20328 5.873087 145.4315       47.12565 129.7905       69.82438 158.5166       63.86508 31.50759 8.814112 34.89898 7.764279 -3.391386      11.74617 
1 1 1 -45 17 11 o 42.63264 4.958971 235.3266       48.68952 177.9662       69.61221 290.2647       68.12658 36.86219 8.032527 48.40308 5.817565 -11.54089      9.917941 
1 1 1 -45 17 12 o 100.2987 2.897911 1233.942       70.29843 1243.053       98.41181 1224.449       100.4536 100.6963 4.039536 99.90118 4.156164 0.7950974      5.795822 
1 1 1 -45 17 13 o 92.18426 2.971009 1045.541       66.25623 1062.942       93.85703 1028.256       93.54468 92.95924 4.173226 91.40928 4.229865 1.549957       5.942018 
1 1 1 -45 17 14 o 29.25246 6.477363 111.5573       51.15988 141.9975       77.22844 87.75248       68.29446 32.20708 9.355872 26.29783 8.960612 5.909250       12.95473 
1 1 1 -45 17 15 o 43.12875 5.394346 246.9656       54.77557 234.5905       80.12198 257.8249       75.05479 41.55257 8.260802 44.70492 6.939382 -3.152348      10.78869 
1 1 1 -45 17 16 o 82.94815 3.475021 864.0751       69.20525 728.7242       95.20947 1015.695       100.7690 75.89398 5.185259 90.00231 4.627761 -14.10833      6.950042 
1 1 1 -45 17 17 o 18.27912 5.837554 -20.60056      55.65686 -50.03180      78.52544 9.110042       78.89725 16.75316 7.826942 19.80509 8.662975 -3.051928      11.67511 
1 1 1 -45 17 18 o 37.00887 6.948245 219.5603       63.27895 224.8936       88.14713 213.8891       90.89606 37.68925 9.631070 36.32848 10.01773 1.360771       13.89649 
1 1 1 -45 19 1  o 126.1298 4.021244 1944.326       122.7101 0.000000       0.000000 1944.326       122.7101 ?        ?        126.1298 4.021244 ?              ?        
1 1 1 -45 19 2  o 73.55944 3.336785 664.4218       59.24003 649.4546       86.25416 677.7856       81.50365 72.73493 4.901564 74.38395 4.528929 -1.649017      6.673569 
1 1 1 -45 19 3  o 63.62618 3.520016 498.4350       53.87980 482.8557       79.82182 511.4745       73.02598 62.65432 5.265848 64.59805 4.672569 -1.943729      7.040032 
1 1 1 -45 19 4  o 122.1086 2.839952 1821.144       83.89220 1835.993       119.5965 1806.760       117.7090 122.5938 4.032250 121.6233 4.000283 0.9705276      5.679904 
1 1 1 -45 19 5  o 73.73225 3.291533 663.8546       58.56435 701.5087       86.70906 632.2684       79.41571 75.62969 4.738816 71.83481 4.569505 3.794884       6.583066 
1 1 1 -45 19 6  o 17.52272 5.446795 -22.88566      44.62441 16.13826       70.04108 -49.54962      57.89615 20.48332 8.530100 14.56212 6.775522 5.921201       10.89359 
1 1 1 -45 19 7  o 90.29874 3.121057 997.9485       68.04526 1019.252       99.89305 979.5065       92.94340 91.16578 4.528988 89.43169 4.295610 1.734085       6.242115 
1 1 1 -45 19 8  o 118.7100 4.263967 1727.030       122.4626 0.000000       0.000000 1727.030       122.4626 ?        ?        118.7100 4.263967 ?              ?        
1 1 1 -45 19 9  o 45.36978 4.691656 257.3120       51.38747 262.3241       75.46896 252.9796       70.16615 45.73825 6.820034 45.00131 6.444663 0.7369385      9.383311 
1 1 1 -45 19 10 o 42.71719 5.188679 234.7942       52.31149 223.5493       75.53387 245.1590       72.51752 41.29899 7.846504 44.13538 6.791312 -2.836395      10.37736 
1 1 1 -45 19 11 o 80.02538 3.273704 791.5073       63.32964 781.7332       91.09361 800.6506       88.10444 79.50845 4.735570 80.54229 4.521385 -1.033836      6.547408 
1 1 1 -45 19 12 o 19.64543 5.319488 -16.88966      47.53155 -160.1195      72.20154 92.66090       63.14470 12.63188 6.261401 26.65898 8.601316 -14.02709      10.63898 
1 1 1 -45 19 13 f 56.18305 4.280348 400.5873       57.80793 398.1605       86.53671 402.5430       77.68353 55.87553 6.401421 56.49058 5.683955 -0.6150475     8.560697 
1 1 1 -45 19 14 o 20.82403 6.149375 24.48298       51.12678 39.76122       79.02095 13.48228       67.05261 22.36964 9.162359 19.27842 8.204292 3.091219       12.29875 
1 1 1 -45 19 15 o 36.40651 6.434412 193.6106       56.69182 211.1824       77.07833 172.9018       83.67615 38.61873 8.481636 34.19429 9.678246 4.424446       12.86882 
1 1 1 -45 19 16 o 18.36241 5.866727 -14.80334      56.15962 9.668821       73.33298 -49.51058      87.33199 19.10996 8.355596 17.61486 8.237594 1.495094       11.73345 
1 1 1 -45 19 17 o 24.19089 6.779776 80.82239       61.31739 111.6610       80.01366 36.94206       95.44463 26.58436 9.644275 21.79742 9.531496 4.786934       13.55955 
1 1 1 -45 21 1  o 88.77010 3.146725 970.9064       67.49419 909.8696       94.98862 1033.147       95.92060 85.90793 4.570209 91.63226 4.326744 -5.724327      6.293451 
1 1 1 -45 21 2  o 64.72102 3.687209 519.1859       57.61097 514.2988       84.03681 523.5191       79.13262 64.37988 5.395319 65.06216 5.027184 -0.6822815     7.374418 
1 1 1 -45 21 3  o 37.42739 5.764836 195.7857       51.93931 113.3544       80.10685 255.5731       68.22263 29.64780 9.696656 45.20698 6.237645 -15.55918      11.52967 
1 1 1 -45 21 4  o 93.27396 3.144368 1071.912       70.83742 1006.177       100.5292 1136.741       99.83295 90.37552 4.597682 96.17239 4.290631 -5.796875      6.288736 
1 1 1 -45 21 5  o 130.5936 2.913793 2093.976       92.05884 2067.708       129.7479 2120.605       130.6384 129.7633 4.132818 131.4240 4.108598 -1.660767      5.827587 
1 1 1 -45 21 6  o 38.96149 5.890364 206.1759       55.41565 126.3286       80.33991 278.6437       76.53741 30.89474 9.671341 47.02824 6.726865 -16.13350      11.78073 
1 1 1 -45 21 7  o 85.22231 3.288362 898.4623       67.61400 823.0549       95.61617 973.8837       95.62511 81.56477 4.845364 88.87984 4.446992 -7.315071      6.576723 
1 1 1 -45 21 8  o 69.13631 3.493478 589.4192       58.05772 690.2687       85.37228 502.6512       79.18808 74.67944 4.725127 63.59318 5.146915 11.08627       6.986957 
1 1 1 -45 21 9  o 53.44109 4.441554 360.7276       57.24626 399.0175       82.13958 324.5636       79.82683 56.28648 6.031788 50.59569 6.521283 5.690792       8.883108 
1 1 1 -45 21 10 o 103.4254 3.106501 1325.937       77.67905 1353.759       108.6593 1296.857       111.0905 104.5900 4.294126 102.2608 4.490198 2.329155       6.213002 
1 1 1 -45 21 11 o 87.31328 3.329762 950.8802       70.32788 973.7302       99.85487 928.3895       99.06710 88.37571 4.670184 86.25085 4.747487 2.124855       6.659523 
1 1 1 -45 21 12 o 37.07000 6.600189 195.1145       58.47385 201.3884       91.44151 190.7741       76.05678 37.23163 9.957749 36.90837 8.665634 0.3232613      13.20038 
1 1 1 -45 21 13 o 27.42351 6.782989 101.7526       57.75482 140.9056       80.21278 59.60287       83.22582 31.03309 9.655372 23.81393 9.529405 7.219164       13.56598 
1 1 1 -45 21 14 o 41.02781 6.139738 244.2233       61.73274 136.5706       84.48309 367.5546       90.42615 29.95789 9.965767 52.09774 7.174190 -22.13985      12.27948 
1 1 1 -45 21 15 o 42.19664 6.558151 278.2104       65.07722 307.3490       88.00497 243.0509       96.67031 45.74928 8.254701 38.64400 10.19300 7.105274       13.11630 
1 1 1 -45 23 2  o 54.04958 7.787318 475.7073       96.82278 609.5181       120.9428 236.8828       161.5749 68.64911 7.281869 39.45004 13.76749 29.19907       15.57464 
1 1 1 -45 23 3  o 59.57209 6.976844 479.1939       79.43236 473.2519       89.65123 500.8923       171.3174 61.12347 6.062419 58.02072 12.56792 3.102753       13.95369 
1 1 1 -45 23 4  o 70.52040 3.780032 613.1247       63.85826 746.1434       97.14568 511.9132       84.73878 77.20940 5.200571 63.83140 5.487134 13.37800       7.560064 
1 1 1 -45 23 5  o 51.92621 4.817899 357.4930       56.80530 262.0858       81.74602 446.5852       78.99429 44.24796 7.927241 59.60446 5.477906 -15.35649      9.635798 
1 1 1 -45 23 6  o 76.97678 3.660446 746.1149       67.70810 653.3358       96.17397 837.2899       95.33892 72.02605 5.519066 81.92750 4.809924 -9.901443      7.320892 
1 1 1 -45 23 7  o 45.84319 5.524068 281.0083       59.42005 258.8321       86.81294 300.5548       81.50343 43.48240 8.556908 48.20398 6.988609 -4.721581      11.04814 
1 1 1 -45 23 8  o 35.19273 6.592628 171.1953       57.16165 218.0445       87.36415 136.1262       75.58643 39.26784 9.333233 31.11762 9.313525 8.150219       13.18526 
1 1 1 -45 23 9  o 22.06455 6.447510 27.42631       56.98399 72.42758       85.71997 -8.208011      76.27879 25.23413 9.800164 18.89498 8.380831 6.339149       12.89502 
1 1 1 -45 23 10 o 62.15868 4.511934 509.8914       65.20159 354.2265       91.17248 672.8419       93.28165 51.61506 7.301044 72.70229 5.303295 -21.08723      9.023868 
1 1 1 -45 23 11 o 36.82829 6.013732 199.8790       60.37411 67.85009       86.57059 324.8973       84.24084 24.38474 9.732446 49.27182 7.066782 -24.88708      12.02746 
1 1 1 -45 23 12 o 24.51402 6.472790 52.42048       60.34863 -44.59895      83.75160 157.1955       87.03474 17.40128 8.114096 31.62675 10.08709 -14.22548      12.94558 
1 1 1 -45 23 13 o 35.36464 6.993599 201.9003       62.42176 173.6591       85.29375 234.4708       91.59845 32.58627 9.925311 38.14302 9.855451 -5.556751      13.98720 
1 1 1 -44 0  1  o 125.2441 2.546592 1903.176       108.9233 1903.176       108.9233 1903.176       108.9233 125.2441 3.601425 125.2441 3.601425 0.000000       0.000000 
1 1 1 -44 0  2  o 165.2399 2.746292 3310.296       155.0731 3310.296       155.0731 3310.296       155.0731 165.2399 3.883843 165.2399 3.883843 0.000000       0.000000 
1 1 1 -44 0  3  o 317.0782 4.229617 12191.17       458.4964 12191.17       458.4964 12191.17       458.4964 317.0782 5.981581 317.0782 5.981581 0.000000       0.000000 
1 1 1 -44 0  4  o 354.6631 4.639164 15256.14       562.5196 15256.14       562.5196 15256.14       562.5196 354.6631 6.560769 354.6631 6.560769 0.000000       0.000000 
1 1 1 -44 0  5  o 346.5718 4.553896 14567.61       539.5793 14567.61       539.5793 14567.61       539.5793 346.5718 6.440182 346.5718 6.440182 0.000000       0.000000 
1 1 1 -44 0  6  o 491.8454 6.222118 29379.85       1046.335 29379.85       1046.335 29379.85       1046.335 491.8454 8.799403 491.8454 8.799403 0.000000       0.000000 
1 1 1 -44 0  7  o 429.4069 5.521010 22382.45       810.5521 22382.45       810.5521 22382.45       810.5521 429.4069 7.807888 429.4069 7.807888 0.000000       0.000000 
1 1 1 -44 0  8  o 130.6556 2.483065 2070.590       110.8214 2070.590       110.8214 2070.590       110.8214 130.6556 3.511584 130.6556 3.511584 0.000000       0.000000 
1 1 1 -44 0  9  o 175.6541 2.776390 3740.607       166.6732 3740.607       166.6732 3740.607       166.6732 175.6541 3.926409 175.6541 3.926409 0.000000       0.000000 
1 1 1 -44 0  10 o 368.1070 4.789101 16445.16       602.7173 16445.16       602.7173 16445.16       602.7173 368.1070 6.772811 368.1070 6.772811 0.000000       0.000000 
1 1 1 -44 0  11 o 11.90793 5.244060 10.58954       43.28510 10.58954       43.28510 10.58954       43.28510 11.90793 7.416221 11.90793 7.416221 0.000000       0.000000 
1 1 1 -44 0  12 f 39.78896 3.934651 202.7897       50.56574 202.7897       50.56574 202.7897       50.56574 39.78896 5.564437 39.78896 5.564437 0.000000       0.000000 
1 1 1 -44 0  13 o 12.53946 5.414131 16.37754       44.02355 16.37754       44.02355 16.37754       44.02355 12.53946 7.656738 12.53946 7.656738 0.000000       0.000000 
1 1 1 -44 0  14 o 150.0847 2.606483 2733.906       133.6646 2733.906       133.6646 2733.906       133.6646 150.0847 3.686123 150.0847 3.686123 0.000000       0.000000 
1 1 1 -44 0  15 o 88.07310 2.466551 944.4626       74.06285 944.4626       74.06285 944.4626       74.06285 88.07310 3.488230 88.07310 3.488230 0.000000       0.000000 
1 1 1 -44 0  16 o 66.83751 4.039128 555.7407       90.81664 555.7407       90.81664 555.7407       90.81664 66.83751 5.712190 66.83751 5.712190 0.000000       0.000000 
1 1 1 -44 0  17 o 23.20894 6.279841 89.82230       47.06819 89.82230       47.06819 89.82230       47.06819 23.20894 8.881037 23.20894 8.881037 0.000000       0.000000 
1 1 1 -44 0  18 o 9.058968 4.385959 -27.39715      43.20514 -27.39715      43.20514 -27.39715      43.20514 9.058968 6.202682 9.058968 6.202682 0.000000       0.000000 
1 1 1 -44 0  19 o 33.23091 4.966725 152.5383       49.68316 152.5383       49.68316 152.5383       49.68316 33.23091 7.024010 33.23091 7.024010 0.000000       0.000000 
1 1 1 -44 0  20 f 96.34840 2.454578 1135.601       80.67853 1135.601       80.67853 1135.601       80.67853 96.34840 3.471297 96.34840 3.471297 0.000000       0.000000 
1 1 1 -44 2  1  o 236.0658 3.868175 6882.314       195.4236 7032.660       229.5666 6486.615       372.4305 240.9682 3.937736 231.1633 6.659230 9.804871       7.736350 
1 1 1 -44 2  2  o 300.8195 4.632959 11189.76       299.6656 11447.25       353.1158 10527.07       566.4943 307.3546 4.748705 294.2844 7.956572 13.07016       9.265918 
1 1 1 -44 2  3  o 233.8445 3.847245 6615.630       188.2354 6601.648       217.1197 6657.942       377.7041 233.4789 3.843698 234.2101 6.665670 -0.7312164     7.694490 
1 1 1 -44 2  4  o 251.0448 4.057309 7640.963       213.5334 7639.065       246.6594 7646.639       426.5883 251.1385 4.059589 250.9512 7.026149 0.1872864      8.114618 
1 1 1 -44 2  5  o 267.9359 4.267330 8670.313       238.2077 8633.507       274.0508 8784.058       481.7701 266.9669 4.242983 268.9049 7.405235 -1.937988      8.534659 
1 1 1 -44 2  6  f 216.4721 3.630191 5880.836       171.1715 6170.613       204.8317 5209.994       311.6555 225.7290 3.750659 207.2153 6.216568 18.51366       7.260382 
1 1 1 -44 2  7  o 180.6802 3.257668 4081.846       127.0859 4249.283       150.8713 3672.814       235.8086 187.3375 3.328737 174.0228 5.600813 13.31468       6.515336 
1 1 1 -44 2  8  o 190.8416 3.574892 4444.734       156.6477 4510.533       193.9396 4321.237       265.6960 192.9549 4.154399 188.7282 5.818967 4.226700       7.149784 
1 1 1 -44 2  9  o 250.3892 4.022810 7747.434       215.6549 7916.717       253.4034 7302.796       410.6847 255.6219 4.097435 245.1566 6.924088 10.46530       8.045619 
1 1 1 -44 2  10 o 175.7056 3.238315 3753.853       119.6675 3765.661       138.5721 3719.215       237.3326 176.3420 3.248011 175.0692 5.603318 1.272812       6.476631 
1 1 1 -44 2  11 o 148.0390 3.020400 2665.341       93.73259 2674.239       108.3654 2638.906       186.7827 148.6077 3.014026 147.4703 5.235161 1.137390       6.040800 
1 1 1 -44 2  12 o 27.27748 5.030656 92.89583       33.87448 115.5227       49.43070 72.86061       46.51374 30.20907 6.912867 24.34588 7.310424 5.863192       10.06131 
1 1 1 -44 2  13 o 205.1488 3.063659 5102.361       151.9592 5263.852       219.8277 4954.573       210.2948 208.2493 4.363114 202.0482 4.302007 6.201019       6.127318 
1 1 1 -44 2  14 o 131.3949 2.487359 2092.981       79.04501 2158.141       113.4802 2031.571       110.1664 133.3802 3.516629 129.4097 3.518684 3.970551       4.974718 
1 1 1 -44 2  15 o 22.19730 5.108362 55.37610       32.76465 29.60916       45.54052 83.02596       47.17513 18.74243 7.179146 25.65218 7.269203 -6.909744      10.21672 
1 1 1 -44 2  16 o 152.4771 3.233609 2821.656       112.3973 2789.854       137.2617 2886.377       195.8135 151.4051 3.747199 153.5492 5.270998 -2.144165      6.467218 
1 1 1 -44 2  17 o 102.1197 2.879482 1189.509       66.27729 1507.436       123.0768 1059.660       78.65591 110.9680 4.584331 93.27145 3.485623 17.69656       5.758963 
1 1 1 -44 2  18 o 16.14933 4.727079 5.001190       31.27829 28.67786       44.40895 -18.30641      44.06147 18.30173 7.068865 13.99694 6.277920 4.304784       9.454159 
1 1 1 -44 2  19 o 27.45709 4.932404 98.87163       32.84356 104.5555       47.00907 93.45131       45.90617 28.22271 6.934371 26.69147 7.016334 1.531244       9.864808 
1 1 1 -44 2  20 o 23.79728 4.911898 71.00642       32.21784 110.5707       46.37599 34.10009       44.79113 28.88330 6.756786 18.71126 7.131115 10.17204       9.823795 
1 1 1 -44 4  1  o 180.0813 3.312996 4052.755       128.0171 4208.252       151.3008 3660.916       240.1787 186.4299 3.354465 173.7327 5.714136 12.69720       6.625993 
1 1 1 -44 4  2  o 116.3603 2.954504 1702.350       72.08285 1770.642       84.17628 1514.575       139.5803 120.9445 2.876745 111.7761 5.161465 9.168427       5.909008 
1 1 1 -44 4  3  o 184.0694 3.341240 4122.955       128.9087 4140.331       149.0533 4071.386       256.7741 184.9234 3.331560 183.2155 5.792775 1.707870       6.682479 
1 1 1 -44 4  4  o 63.41384 3.374278 519.6427       42.91805 548.8599       49.37845 429.3873       86.78709 67.33447 3.031082 59.49321 6.029557 7.841267       6.748557 
1 1 1 -44 4  5  o 125.9442 2.902762 1852.304       74.93059 1794.807       85.01978 2052.350       158.5837 121.7666 2.885954 130.1217 5.037398 -8.355125      5.805524 
1 1 1 -44 4  6  o 397.0753 5.936705 19112.82       491.2284 19044.93       565.4039 19321.83       992.0871 396.2195 5.898216 397.9311 10.30480 -1.711578      11.87341 
1 1 1 -44 4  7  o 234.2918 3.848704 6765.977       192.3400 6893.101       225.3374 6424.747       369.1834 238.5557 3.904282 230.0279 6.633753 8.527786       7.697409 
1 1 1 -44 4  8  o 272.6616 4.555971 9162.101       288.8820 9556.137       366.0653 8511.601       470.3424 280.7005 5.390301 264.6227 7.346572 16.07785       9.111941 
1 1 1 -44 4  9  o 52.88040 3.534618 300.3971       39.33352 266.3184       44.55759 420.7020       83.71861 46.88589 3.928052 58.87490 5.877458 -11.98901      7.069236 
1 1 1 -44 4  10 f 128.7984 2.974798 2021.256       79.72108 2031.742       91.87137 1989.292       160.4025 129.5396 2.931401 128.0572 5.177315 1.482407       5.949597 
1 1 1 -44 4  11 o 140.9879 3.037299 2445.616       89.86597 2482.932       104.2759 2337.894       177.1692 143.1888 3.010042 138.7869 5.276399 4.401962       6.074598 
1 1 1 -44 4  12 o 37.82267 5.427292 222.7115       40.25606 257.2492       45.55540 99.63118       85.99782 46.05809 4.088195 29.58726 10.05528 16.47082       10.85458 
1 1 1 -44 4  13 o 149.0075 3.121017 2752.446       96.83028 2809.700       112.0997 2584.176       192.1783 152.2686 3.042928 145.7463 5.450100 6.522369       6.242035 
1 1 1 -44 4  14 o 122.4850 2.958909 1819.534       74.89025 1816.651       85.89091 1828.673       152.9487 122.4196 2.899973 122.5505 5.158558 -0.1308975     5.917818 
1 1 1 -44 4  15 o 86.99165 2.499107 919.8320       52.56715 939.8455       73.64979 899.0490       75.05239 87.96435 3.460688 86.01896 3.606351 1.945389       4.998213 
1 1 1 -44 4  16 o 34.75533 4.604256 157.4202       37.08667 229.4998       52.74656 86.94729       52.15538 43.30251 5.034760 26.20816 7.710245 17.09435       9.208511 
1 1 1 -44 4  17 o 53.80470 3.935335 345.7338       47.50189 328.4731       56.71074 386.3177       86.95873 51.79063 4.525971 55.81877 6.439180 -4.028141      7.870671 
1 1 1 -44 4  18 o 26.25695 5.092500 75.64952       35.61702 150.2677       57.88752 30.19289       45.18156 33.96773 7.263865 18.54616 7.139362 15.42156       10.18500 
1 1 1 -44 4  19 o 58.89420 2.951906 429.1452       41.29965 534.3301       59.48409 331.2512       57.38548 66.00255 3.725099 51.78584 4.580244 14.21671       5.903811 
1 1 1 -44 4  20 o 86.51279 3.633221 921.1552       76.04566 921.1552       76.04566 0.000000       0.000000 86.51279 3.633221 ?        ?        ?              ?        
1 1 1 -44 6  1  o 44.62331 5.153800 261.3264       43.66182 272.9059       49.55982 221.1779       92.28284 47.45919 4.316256 41.78744 9.360372 5.671745       10.30760 
1 1 1 -44 6  2  o 340.6469 5.220216 13987.13       367.7500 13881.59       421.3137 14324.81       753.6448 338.3734 5.146442 342.9204 9.083873 -4.547089      10.44043 
1 1 1 -44 6  3  o 255.7780 4.118699 8093.995       226.2207 8288.354       266.4322 7591.910       428.2261 261.5625 4.210259 249.9935 7.080143 11.56900       8.237397 
1 1 1 -44 6  4  o 82.13158 3.224238 828.1982       52.74058 836.6050       59.73041 798.4532       112.3536 83.13109 2.969817 81.13206 5.723900 1.999031       6.448476 
1 1 1 -44 6  5  o 170.1467 3.256419 3528.567       115.7329 3548.703       133.6409 3468.174       231.4449 171.2011 3.226493 169.0924 5.657456 2.108719       6.512839 
1 1 1 -44 6  6  o 117.8113 2.977361 1734.268       73.56532 1791.268       85.74253 1575.253       143.2112 121.6421 2.913466 113.9805 5.193306 7.661629       5.954722 
1 1 1 -44 6  7  o 87.96312 2.974815 963.8022       54.31584 990.2698       62.89389 886.1392       107.7355 90.44347 2.874279 85.48277 5.209281 4.960701       5.949629 
1 1 1 -44 6  8  o 155.4856 5.419346 2932.778       203.8634 0.000000       0.000000 2932.778       203.8634 ?        ?        155.4856 5.419346 ?              ?        
1 1 1 -44 6  9  o 297.7564 4.649381 10799.04       290.1542 10825.67       335.3975 10719.81       578.4689 298.8199 4.639251 296.6929 8.058804 2.127045       9.298761 
1 1 1 -44 6  10 o 81.12704 3.135845 753.1997       51.02571 720.6381       57.23306 879.3576       112.6552 77.14116 3.066610 85.11293 5.470832 -7.971771      6.271690 
1 1 1 -44 6  11 f 259.1432 4.194938 8214.518       228.3694 8268.374       264.5678 8057.109       452.3083 261.1298 4.187726 257.1566 7.270005 3.973206       8.389876 
1 1 1 -44 6  12 o 102.8018 3.264078 1303.182       74.31780 1334.583       89.33270 1232.600       133.9317 104.9235 3.519131 100.6802 5.498412 4.243332       6.528156 
1 1 1 -44 6  13 o 49.93198 5.240517 401.0460       42.81725 457.1764       48.16458 189.5300       93.49761 61.40601 3.242011 38.45794 9.967018 22.94808       10.48103 
1 1 1 -44 6  14 o 79.01260 3.579958 820.0159       60.54482 908.9787       73.07397 625.2231       108.1297 86.53311 3.490423 71.49208 6.251508 15.04103       7.159916 
1 1 1 -44 6  15 o 76.75069 3.307237 641.8912       49.28691 596.0525       54.36552 853.4206       116.7865 70.05377 3.207670 83.44759 5.784645 -13.39382      6.614474 
1 1 1 -44 6  16 o 65.35252 3.897760 535.0540       47.40478 541.1817       52.57006 508.3879       109.6651 66.70303 3.257546 64.00201 7.082267 2.701012       7.795519 
1 1 1 -44 6  17 o 18.56878 5.159821 26.40463       33.96333 22.09503       47.90929 30.75844       48.15444 18.10801 7.235798 19.02954 7.357869 -0.9215317     10.31964 
1 1 1 -44 6  18 o 42.29639 3.787650 223.3147       37.78491 287.1808       54.51419 164.2630       52.41923 48.28327 4.666708 36.30952 5.967162 11.97375       7.575301 
1 1 1 -44 6  19 o 19.98339 5.315614 40.54953       35.09482 25.63614       55.27013 50.62447       45.42798 19.15905 7.730660 20.80772 7.297939 -1.648666      10.63123 
1 1 1 -44 6  20 o 49.23233 3.304602 304.1925       39.01184 347.6410       54.98000 260.1347       55.36415 52.91092 4.294940 45.55374 5.023452 7.357178       6.609204 
1 1 1 -44 8  1  o 182.1329 3.443512 4042.279       130.3347 4061.900       150.1019 3982.154       262.7586 183.1425 3.387619 181.1232 5.996261 2.019333       6.887025 
1 1 1 -44 8  2  o 160.5546 3.286308 3100.652       107.7866 3080.098       122.8177 3169.542       224.8524 159.4921 3.182873 161.6171 5.750531 -2.125000      6.572617 
1 1 1 -44 8  3  o 186.1548 3.438542 4160.938       132.0067 4124.753       150.9756 4278.406       272.0204 184.5579 3.381208 187.7516 5.988466 -3.193680      6.877085 
1 1 1 -44 8  4  o 104.6265 3.251939 1315.180       74.38035 1299.957       87.77488 1353.956       140.0875 103.6051 3.501765 105.6479 5.480700 -2.042862      6.503878 
1 1 1 -44 8  5  o 166.7704 3.508317 3489.260       135.5586 3883.032       174.9157 2897.085       214.5021 179.0257 4.038417 154.5150 5.737974 24.51067       7.016634 
1 1 1 -44 8  6  o 107.6865 3.130869 1419.238       68.35612 1430.959       77.92930 1380.131       142.3474 108.7161 2.962815 106.6568 5.516438 2.059357       6.261737 
1 1 1 -44 8  7  o 276.6868 4.400542 9367.021       256.5393 9441.330       297.7430 9152.886       505.4315 279.0990 4.409415 274.2746 7.616832 4.824371       8.801084 
1 1 1 -44 8  8  o 115.0852 5.507822 1607.377       153.3563 0.000000       0.000000 1607.377       153.3563 ?        ?        115.0852 5.507822 ?              ?        
1 1 1 -44 8  9  o 125.0337 3.373892 1979.950       94.99918 2160.449       118.0984 1649.018       159.9102 133.5341 3.655523 116.5333 5.671837 17.00079       6.747784 
1 1 1 -44 8  10 o 164.8477 3.321548 3305.617       111.8772 3312.996       127.7782 3281.380       231.5759 165.3759 3.193611 164.3195 5.825081 1.056473       6.643096 
1 1 1 -44 8  11 o 112.6630 3.186420 1574.784       71.74970 1602.385       81.53679 1480.071       151.0411 115.0097 2.930333 110.3164 5.659173 4.693291       6.372840 
1 1 1 -44 8  12 o 110.1936 3.193409 1423.640       76.75447 1360.709       89.79860 1594.289       147.8732 105.9239 3.504075 114.4633 5.339747 -8.539467      6.386817 
1 1 1 -44 8  13 o 91.90240 3.352123 1053.416       59.68959 1071.471       67.08161 984.7710       130.8008 94.00635 2.949471 89.79845 6.020593 4.207901       6.704246 
1 1 1 -44 8  14 o 108.1274 3.159292 1383.906       66.46117 1357.267       74.12231 1493.159       150.1077 105.7679 2.896629 110.4869 5.615519 -4.719055      6.318585 
1 1 1 -44 8  15 o 17.45011 5.536540 -4.915459      38.08591 10.11109       40.89416 -103.1886      104.5801 15.93132 6.565876 18.96890 8.916409 -3.037572      11.07308 
1 1 1 -44 8  16 o 65.97278 4.025796 536.8929       48.28837 537.0557       53.06886 536.1095       116.4176 66.41560 3.302686 65.52995 7.343052 0.8856506      8.051593 
1 1 1 -44 8  17 o 121.6961 3.352658 1694.942       89.27591 1542.975       103.8607 2124.926       174.7043 112.3293 3.821691 131.0628 5.509623 -18.73345      6.705316 
1 1 1 -44 8  18 o 51.04948 4.943700 333.7060       45.01026 333.7800       49.76197 333.3730       105.5464 52.14136 3.944690 49.95760 9.066427 2.183762       9.887401 
1 1 1 -44 8  19 o 21.78514 5.517231 54.60299       36.73143 62.55447       55.11895 48.25085       49.26479 22.81120 8.035923 20.75908 7.561962 2.052118       11.03446 
1 1 1 -44 8  20 o 31.45316 4.913478 129.2594       44.14458 251.8860       63.13760 11.98096       61.74541 44.39605 5.878160 18.51026 7.875044 25.88580       9.826957 
1 1 1 -44 10 1  o 44.80750 5.808292 276.5900       46.54524 292.4618       51.64853 207.9715       107.3906 49.11860 4.346200 40.49638 10.77291 8.622219       11.61658 
1 1 1 -44 10 2  o 208.1087 3.706194 5295.463       160.8085 5336.152       185.6317 5173.111       321.8979 209.8790 3.655786 206.3385 6.448157 3.540573       7.412388 
1 1 1 -44 10 3  o 219.5634 3.789347 5895.856       173.9825 5942.907       201.1485 5756.098       346.6715 221.4842 3.753805 217.6425 6.583734 3.841782       7.578694 
1 1 1 -44 10 4  o 115.4251 2.579022 1612.000       71.97086 1664.909       104.1829 1563.701       99.54012 117.2335 3.673179 113.6167 3.621211 3.616859       5.158044 
1 1 1 -44 10 5  o 250.0009 3.544414 7569.110       214.1505 7339.816       294.6386 7825.891       311.7985 246.0017 4.950502 254.0000 5.073854 -7.998337      7.088827 
1 1 1 -44 10 6  o 74.20000 4.158980 667.2906       74.66087 667.2906       74.66087 0.000000       0.000000 74.20000 4.158980 ?        ?        ?              ?        
1 1 1 -44 10 7  o 213.9937 3.201774 5547.775       165.6742 5397.253       229.6807 5711.042       239.2068 210.9739 4.499804 217.0136 4.556007 -6.039688      6.403549 
1 1 1 -44 10 8  o 295.8712 4.920389 10675.16       333.7843 10596.07       570.6512 10716.29       411.5244 294.7383 8.002612 297.0041 5.727049 -2.265717      9.840777 
1 1 1 -44 10 9  o 130.8653 2.633035 2075.865       83.36314 2059.353       117.4606 2092.623       118.3307 130.3409 3.724854 131.3897 3.722494 -1.048798      5.266070 
1 1 1 -44 10 10 o 44.86343 3.686289 244.2594       39.84832 249.0455       59.33659 240.3276       53.78031 45.25427 5.419518 44.47260 4.998371 0.7816772      7.372577 
1 1 1 -44 10 11 o 144.2146 3.199109 2487.450       92.23627 2457.513       104.0520 2597.264       199.2849 142.3938 3.020349 146.0355 5.640450 -3.641647      6.398218 
1 1 1 -44 10 12 o 83.83931 3.546331 803.3550       54.75610 776.7502       59.87403 939.3218       135.3550 80.03054 3.092292 87.64807 6.383070 -7.617531      7.092662 
1 1 1 -44 10 13 o 65.29680 4.087794 500.0886       48.99004 488.9725       53.66014 555.7407       120.0650 63.44415 3.495891 67.14944 7.390467 -3.705299      8.175589 
1 1 1 -44 10 14 o 86.42888 3.577973 881.0683       57.49088 863.1755       63.22099 966.5676       138.1986 84.29089 3.100119 88.56686 6.449560 -4.275970      7.155946 
1 1 1 -44 10 15 o 79.52187 3.631335 722.6319       53.64066 694.5594       58.74577 863.4147       131.5562 75.55374 3.213796 83.49000 6.512902 -7.936256      7.262670 
1 1 1 -44 10 16 o 60.37991 5.518743 573.5438       52.89734 635.5459       58.94557 317.0732       119.8855 72.19746 3.374636 48.56237 10.50894 23.63510       11.03749 
1 1 1 -44 10 17 o 62.70489 4.493937 476.9447       50.94786 469.1512       55.73013 516.5973       125.7076 61.90066 3.721281 63.50912 8.181317 -1.608463      8.987874 
1 1 1 -44 10 18 o 64.23398 4.713173 585.0526       53.53920 622.4619       59.65746 430.2201       121.3685 71.25481 3.460574 57.21315 8.768148 14.04166       9.426346 
1 1 1 -44 10 19 o 59.29256 4.810039 471.9501       52.87865 484.2538       59.00663 421.7728       119.1615 62.58686 3.896865 55.99826 8.795472 6.588593       9.620077 
1 1 1 -44 10 20 o 51.73242 5.638307 343.7184       70.56898 343.7184       70.56898 0.000000       0.000000 51.73242 5.638307 ?        ?        ?              ?        
1 1 1 -44 12 1  o 238.7489 3.445079 6917.586       198.9744 7001.384       283.9261 6836.713       278.9251 240.1671 4.886405 237.3307 4.857707 2.836395       6.890158 
1 1 1 -44 12 2  o 269.2289 3.766022 8801.988       245.3027 8761.909       345.9388 8842.521       347.8902 268.6131 5.323164 269.8448 5.328755 -1.231720      7.532045 
1 1 1 -44 12 3  f 229.9302 3.370492 6411.339       187.4397 6549.981       269.1398 6280.758       261.1981 232.3396 4.787981 227.5207 4.745115 4.818863       6.740985 
1 1 1 -44 12 4  o 267.3756 5.273169 8680.025       341.1110 0.000000       0.000000 8680.025       341.1110 ?        ?        267.3756 5.273169 ?              ?        
1 1 1 -44 12 5  o 137.9015 2.719376 2302.376       90.65618 2433.889       130.5233 2179.800       126.0102 141.7044 3.807169 134.0985 3.884004 7.605972       5.438752 
1 1 1 -44 12 6  o 114.9156 3.713107 1600.656       103.2330 1600.656       103.2330 0.000000       0.000000 114.9156 3.713107 ?        ?        ?              ?        
1 1 1 -44 12 7  o 80.67424 2.936401 789.8344       57.27133 824.5872       81.00201 755.0955       80.98577 82.45441 4.060501 78.89407 4.242893 3.560333       5.872802 
1 1 1 -44 12 8  o 79.55684 4.474380 776.3260       82.48078 789.6490       103.2944 752.8852       137.0129 80.59040 5.297749 78.52328 7.212084 2.067116       8.948759 
1 1 1 -44 12 9  o 95.36682 3.866460 1103.552       89.20992 0.000000       0.000000 1103.552       89.20992 ?        ?        95.36682 3.866460 ?              ?        
1 1 1 -44 12 10 o 182.3193 2.944332 4036.403       129.8555 4124.712       185.3151 3951.210       182.0162 184.2793 4.156539 180.3593 4.171277 3.920013       5.888665 
1 1 1 -44 12 11 f 27.69803 5.666446 96.93191       40.21457 87.47279       59.44519 104.9138       54.60640 26.68519 8.313542 28.71087 7.701913 -2.025681      11.33289 
1 1 1 -44 12 12 o 129.3954 2.669775 2024.403       83.31315 1826.212       113.3663 2257.138       122.8494 122.5399 3.823878 136.2508 3.726762 -13.71091      5.339551 
1 1 1 -44 12 13 o 59.48007 3.299121 431.4347       47.40173 466.8023       68.55720 399.0404       65.61208 61.82141 4.583654 57.13873 4.746253 4.682678       6.598243 
1 1 1 -44 12 14 o 55.08900 3.455353 373.8862       45.80657 348.1765       66.77122 396.7429       62.95742 53.24529 5.183293 56.93270 4.570702 -3.687408      6.910705 
1 1 1 -44 12 16 o 74.29462 4.552227 690.2916       67.79951 689.6733       76.92038 692.4450       143.5442 74.93545 4.242793 73.65379 8.055420 1.281662       9.104454 
1 1 1 -44 12 17 o 52.89797 6.087820 404.2133       52.43308 420.6091       57.28682 319.5717       130.1606 58.45432 4.050754 47.34163 11.48205 11.11269       12.17564 
1 1 1 -44 12 18 o 25.00432 6.927247 59.23807       49.00684 54.73874       53.72441 81.53480       119.5964 21.76614 7.901690 28.24251 11.38026 -6.476368      13.85449 
1 1 1 -44 12 19 o 65.60194 4.944819 564.9323       59.02716 565.1718       65.13166 563.8311       139.6465 67.40582 3.993857 63.79808 9.047323 3.607735       9.889639 
1 1 1 -44 12 20 o 52.92760 5.581511 364.4398       71.47207 364.4398       71.47207 0.000000       0.000000 52.92760 5.581511 ?        ?        ?              ?        
1 1 1 -44 14 1  o 197.7144 3.100070 4747.084       148.2811 4811.705       210.9932 4684.021       208.4326 199.0442 4.381437 196.3846 4.386883 2.659653       6.200140 
1 1 1 -44 14 2  o 186.6291 3.024217 4228.666       136.5444 4230.180       192.1889 4227.122       194.0302 186.6662 4.255598 186.5920 4.298076 0.7418823E-01  6.048435 
1 1 1 -44 14 3  o 70.20218 3.161073 599.4789       53.57747 640.5691       75.49885 557.7930       76.04407 72.63996 4.295982 67.76440 4.638328 4.875565       6.322147 
1 1 1 -44 14 4  f 56.66200 3.535925 390.2314       48.46625 391.6833       69.16389 388.8307       67.93587 56.76359 5.036249 56.56041 4.964600 0.2031784      7.071849 
1 1 1 -44 14 5  o 126.8537 3.864036 1952.409       118.5896 0.000000       0.000000 1952.409       118.5896 ?        ?        126.8537 3.864036 ?              ?        
1 1 1 -44 14 6  o 78.53493 2.915946 748.9812       55.38634 736.9078       78.91913 760.6996       77.75020 77.90675 4.187019 79.16310 4.059536 -1.256355      5.831892 
1 1 1 -44 14 7  o 183.9115 3.658150 4153.678       155.2720 3989.292       259.5295 4245.321       193.7786 180.8772 5.930628 186.9458 4.284380 -6.068588      7.316301 
1 1 1 -44 14 8  o 48.48634 6.106791 270.2098       60.85411 246.9555       69.41670 347.4123       126.4817 44.95279 6.382709 52.01990 10.41310 -7.067104      12.21358 
1 1 1 -44 14 9  o 53.59632 3.562608 350.1062       46.18883 342.8269       65.29722 357.3961       65.34455 53.03469 5.088999 54.15796 4.987062 -1.123276      7.125216 
1 1 1 -44 14 10 o 46.38905 4.155307 263.4640       46.63061 263.0041       66.41663 263.9111       65.48454 46.34469 5.923447 46.43341 5.829158 -0.8872604E-01 8.310614 
1 1 1 -44 14 11 f 81.24560 2.935564 803.3047       57.66698 770.8355       79.98785 838.4465       83.21468 79.53741 4.156714 82.95378 4.146307 -3.416367      5.871127 
1 1 1 -44 14 12 o 126.7896 2.735911 1959.196       83.92134 1975.550       119.2969 1943.174       118.0779 127.3124 3.873076 126.2668 3.865246 1.045631       5.471823 
1 1 1 -44 14 13 o 101.0984 2.738419 1247.497       66.97851 1259.376       95.06768 1235.789       94.37990 101.5773 3.868422 100.6196 3.876990 0.9577332      5.476837 
1 1 1 -44 14 14 o 35.31011 5.245956 162.1091       45.78711 260.3715       66.23878 72.19534       63.36244 45.81273 5.976183 24.80749 8.623541 21.00524       10.49191 
1 1 1 -44 14 15 o 167.2865 2.935404 3435.651       118.7838 3416.507       166.2697 3455.607       169.7560 166.8295 4.119439 167.7435 4.182896 -0.9140320     5.870809 
1 1 1 -44 14 16 o 47.02599 4.665855 292.0239       49.68347 236.8047       76.23037 332.8019       65.50830 42.35881 7.723001 51.69317 5.237944 -9.334358      9.331710 
1 1 1 -44 14 17 o 30.89351 5.788165 135.1494       45.24848 90.22353       70.89172 166.0345       58.77895 26.45709 9.125793 35.32993 7.122592 -8.872845      11.57633 
1 1 1 -44 14 18 o 30.63439 5.429442 138.1737       47.73637 26.28914       76.84406 208.4828       60.91595 21.08672 8.868567 40.18205 6.266090 -19.09533      10.85888 
1 1 1 -44 14 19 o 29.94099 7.709922 97.58192       52.45569 78.57430       56.09478 229.9821       148.0481 23.91216 8.121068 35.96983 13.10801 -12.05766      15.41984 
1 1 1 -44 16 1  o 33.76567 5.494889 147.1587       43.92337 131.7668       65.03398 160.0687       59.56036 32.06080 8.314261 35.47055 7.186672 -3.409752      10.98978 
1 1 1 -44 16 2  o 34.99743 5.388667 156.7554       44.20746 151.4759       65.39671 161.1981       59.99017 34.38650 8.009752 35.60835 7.210741 -1.221851      10.77733 
1 1 1 -44 16 3  o 149.9546 2.801070 2725.170       101.4704 2595.462       138.9608 2873.331       148.5170 146.1479 3.930044 153.7613 3.992333 -7.613358      5.602140 
1 1 1 -44 16 4  o 34.39027 5.513297 152.1876       44.90524 131.5037       64.82284 171.2717       62.26552 32.05448 8.294967 36.72606 7.264935 -4.671585      11.02659 
1 1 1 -44 16 5  f 65.34103 3.399176 523.6306       52.79168 406.0896       73.63328 647.9550       75.72820 57.69731 5.274925 72.98474 4.288677 -15.28743      6.798351 
1 1 1 -44 16 6  o 164.1723 2.876734 3276.996       114.2235 3250.334       159.2116 3305.275       163.9663 163.4935 4.025055 164.8510 4.111123 -1.357559      5.753469 
1 1 1 -44 16 7  o 95.71608 2.829372 1108.931       65.33746 1227.999       96.07022 1006.463       89.12267 100.4792 3.951938 90.95293 4.050132 9.526291       5.658744 
1 1 1 -44 16 8  o 61.41038 3.578544 463.0487       52.76348 398.0916       74.63759 527.9406       74.60007 57.04040 5.408449 65.78036 4.687494 -8.739956      7.157088 
1 1 1 -44 16 9  o 106.6286 2.767814 1384.923       71.37638 1392.343       99.75883 1377.140       102.1671 106.9319 3.856043 106.3252 3.971664 0.6066208      5.535629 
1 1 1 -44 16 10 o 55.07225 3.707775 372.3578       49.25104 367.2209       72.24911 376.8172       67.31529 54.68506 5.460865 55.45945 5.016905 -0.7743835     7.415550 
1 1 1 -44 16 11 o 41.71522 4.891818 221.0533       47.45406 209.4255       72.48498 229.7752       62.77731 40.30023 7.715272 43.13020 6.016154 -2.829967      9.783636 
1 1 1 -44 16 12 o 61.50087 3.558967 473.1918       51.99188 387.5957       75.66224 549.7664       71.56404 56.02328 5.582238 66.97845 4.416288 -10.95518      7.117934 
1 1 1 -44 16 13 o 68.29734 3.379667 573.7228       55.69675 632.9958       80.21617 518.5474       77.39381 71.73867 4.621748 64.85601 4.932347 6.882660       6.759335 
1 1 1 -44 16 14 o 72.78289 3.330204 656.8364       58.38802 606.1463       84.14027 703.9183       81.09042 69.97887 4.969751 75.58691 4.434255 -5.608047      6.660409 
1 1 1 -44 16 15 o 86.08358 4.422977 916.4231       92.11649 0.000000       0.000000 916.4231       92.11649 ?        ?        86.08358 4.422977 ?              ?        
1 1 1 -44 16 16 o 70.92502 3.490539 630.2732       59.77921 596.1161       85.42036 663.0585       83.68742 68.94981 5.120661 72.90022 4.744921 -3.950409      6.981077 
1 1 1 -44 16 17 o 74.81650 4.859238 705.2623       87.95647 705.2623       87.95647 0.000000       0.000000 74.81650 4.859238 ?        ?        ?              ?        
1 1 1 -44 16 18 o 24.11963 6.275621 69.78806       50.62356 117.7175       73.60820 26.77130       69.73386 28.24302 9.297828 19.99623 8.431139 8.246798       12.55124 
1 1 1 -44 16 19 o 31.42196 7.965202 173.2986       74.13898 184.4140       134.7328 168.4711       88.79036 31.19200 12.23826 31.65191 10.19818 -0.4599113     15.93040 
1 1 1 -44 18 1  o 82.02835 3.050029 821.2203       60.49513 860.3785       86.30135 783.3914       84.82385 83.96149 4.248496 80.09521 4.377328 3.866272       6.100059 
1 1 1 -44 18 2  o 29.17569 6.003571 108.6276       44.81269 111.0735       66.27181 106.5671       60.82711 29.49698 8.695096 28.85439 8.280503 0.6425858      12.00714 
1 1 1 -44 18 3  o 122.1453 2.809258 1818.185       83.00389 1858.200       117.4831 1778.303       117.2876 123.4964 3.932050 120.7942 4.013317 2.702156       5.618517 
1 1 1 -44 18 4  o 14.37271 4.748567 -54.13857      40.64747 -49.05225      60.46916 -58.33141      54.90171 15.07605 6.983570 13.66937 6.436248 1.406674       9.497133 
1 1 1 -44 18 5  o 92.60575 2.895690 1045.846       64.79672 978.9216       91.00356 1114.664       92.28263 89.58159 4.198917 95.62991 3.988631 -6.048325      5.791380 
1 1 1 -44 18 6  o 36.58685 5.272991 174.5360       45.29433 137.5104       68.36003 203.5119       60.47416 32.53841 8.566197 40.63529 6.151261 -8.096878      10.54598 
1 1 1 -44 18 7  o 78.19466 3.200290 741.3736       60.22826 809.7325       91.03704 688.1650       80.31775 81.35435 4.625248 75.03498 4.424308 6.319366       6.400580 
1 1 1 -44 18 8  o 52.45255 4.095281 340.0429       51.20503 417.4571       73.98996 268.8869       70.93623 58.28557 5.246980 46.61953 6.289236 11.66604       8.190561 
1 1 1 -44 18 9  o 89.30822 4.277998 975.9300       92.43454 975.9300       92.43454 0.000000       0.000000 89.30822 4.277998 ?        ?        ?              ?        
1 1 1 -44 18 10 o 90.30547 3.048787 999.5137       66.58064 963.8949       94.04743 1035.302       94.27147 88.67269 4.383840 91.93826 4.238203 -3.265564      6.097575 
1 1 1 -44 18 11 o 63.48225 3.627254 499.2837       55.47704 451.8799       78.97471 545.4631       77.94814 60.42712 5.401991 66.53739 4.842144 -6.110275      7.254507 
1 1 1 -44 18 12 o 37.64588 5.493377 179.1051       49.24161 250.3658       75.40082 126.1114       65.02242 44.50914 7.002039 30.78262 8.466415 13.72652       10.98675 
1 1 1 -44 18 13 o 44.05281 4.823340 245.5621       51.29598 259.9912       75.65051 233.2819       69.79029 45.21739 6.915188 42.88823 6.725965 2.329166       9.646680 
1 1 1 -44 18 14 o 26.99137 6.193970 96.01524       49.25626 45.07750       76.39297 132.2600       64.44011 22.82966 9.131861 31.15309 8.370793 -8.323437      12.38794 
1 1 1 -44 18 15 o 62.68772 3.794122 494.2187       57.41909 530.7917       84.60487 462.9888       78.18078 64.81406 5.395403 60.56137 5.335829 4.252689       7.588244 
1 1 1 -44 18 16 f 20.16768 6.117108 16.26365       53.49942 8.323365       74.51046 24.71340       76.86363 19.51656 8.479702 20.81879 8.818769 -1.302231      12.23422 
1 1 1 -44 18 17 o 42.87420 6.204979 269.7641       62.17744 258.7372       86.46608 281.5718       89.47549 41.91519 8.806458 43.83321 8.743761 -1.918015      12.40996 
1 1 1 -44 18 18 o 54.92328 5.556408 445.0058       65.40145 242.1632       89.65732 675.6917       95.61292 38.62384 9.628394 71.22271 5.548758 -32.59887      11.11282 
1 1 1 -44 20 1  o 109.2780 2.909651 1450.974       76.59656 1649.028       113.6036 1285.889       103.7179 116.0863 4.044908 102.4697 4.183657 13.61662       5.819302 
1 1 1 -44 20 2  o 100.8403 2.973835 1244.936       72.54066 1247.193       103.5739 1242.762       101.6297 100.9196 4.242018 100.7611 4.168941 0.1585312      5.947670 
1 1 1 -44 20 3  o 37.50094 5.475654 172.3460       48.85254 257.5919       76.64852 114.0258       63.39811 45.40802 6.977003 29.59386 8.441123 15.81416       10.95131 
1 1 1 -44 20 4  o 40.74798 5.481469 224.2608       51.05831 159.3120       78.78684 271.2881       67.04151 34.68886 9.227042 46.80710 5.920109 -12.11824      10.96294 
1 1 1 -44 20 5  o 74.50719 3.334896 680.9290       59.85437 690.9122       89.15585 672.7376       80.75935 74.95517 4.916386 74.05922 4.507247 0.8959503      6.669792 
1 1 1 -44 20 6  o 17.36457 5.430886 -17.80197      45.57254 -53.28513      72.18238 5.716418       58.76569 16.55794 7.655906 18.17120 7.704881 -1.613268      10.86177 
1 1 1 -44 20 7  o 103.3840 3.003817 1308.714       75.06921 1352.365       108.9391 1269.244       103.5905 105.0103 4.287948 101.7577 4.207752 3.252617       6.007635 
1 1 1 -44 20 8  o 79.71199 3.283840 783.4605       63.17718 725.5350       89.68037 840.5302       89.01540 76.72542 4.831209 82.69855 4.449026 -5.973137      6.567679 
1 1 1 -44 20 9  o 49.74135 5.000005 322.0885       56.72128 235.7485       80.51595 407.1537       79.91937 42.30534 8.162285 57.17736 5.777309 -14.87202      10.00001 
1 1 1 -44 20 10 o 26.38610 6.368976 85.22729       50.61323 48.79534       75.19359 115.4072       68.43821 23.29091 9.141256 29.48129 8.870898 -6.190382      12.73795 
1 1 1 -44 20 11 o 78.59223 4.975560 767.8104       94.60714 767.8104       94.60714 0.000000       0.000000 78.59223 4.975560 ?        ?        ?              ?        
1 1 1 -44 20 12 o 85.28873 3.331861 905.7614       68.18317 762.7267       94.88184 1058.499       98.04716 78.16079 5.017552 92.41667 4.385128 -14.25588      6.663722 
1 1 1 -44 20 13 o 54.17754 5.040376 400.7723       60.37862 266.0803       87.72765 521.9975       83.22658 44.01706 8.545965 64.33801 5.346778 -20.32094      10.08075 
1 1 1 -44 20 14 o 90.70994 3.303043 1034.473       72.38873 1041.554       100.0256 1026.687       104.8941 91.13248 4.536654 90.28740 4.801994 0.8450775      6.606086 
1 1 1 -44 20 15 o 40.99871 6.285727 247.9476       61.37248 282.4548       81.88412 203.7149       92.70773 45.62910 7.417464 36.36831 10.15001 9.260788       12.57145 
1 1 1 -44 20 16 o 34.89812 7.074283 191.7414       63.43780 147.3924       84.24210 249.8320       96.41399 30.31392 9.945208 39.48232 10.06354 -9.168394      14.14857 
1 1 1 -44 22 1  o 22.00832 5.911642 32.26786       50.02993 -52.64588      77.49468 92.95103       65.51142 17.15310 7.931633 26.86354 8.768079 -9.710438      11.82328 
1 1 1 -44 22 2  o 69.50819 3.590542 596.2072       60.20296 660.0256       88.81046 541.9475       81.88972 72.94621 5.032213 66.07018 5.122967 6.876030       7.181083 
1 1 1 -44 22 3  o 22.64969 6.340299 43.61243       51.33823 40.76252       77.47373 45.84356       68.54912 22.86148 9.177936 22.43791 8.750031 0.4235744      12.68060 
1 1 1 -44 22 4  o 89.47945 3.191777 990.1486       68.90870 951.2768       99.92064 1025.402       95.15701 87.72363 4.707999 91.23528 4.310977 -3.511650      6.383555 
1 1 1 -44 22 5  o 44.79470 5.284344 252.8663       54.57013 353.4388       84.15737 179.9001       71.68257 52.91509 6.573706 36.67431 8.275479 16.24078       10.56869 
1 1 1 -44 22 6  o 76.18071 3.502269 720.1951       64.28616 717.7970       95.17811 722.2068       87.17665 75.97575 5.177973 76.38567 4.717218 -0.4099197     7.004538 
1 1 1 -44 22 7  o 30.49809 6.309228 127.1951       51.67443 79.97777       77.88499 164.3236       69.06482 26.07651 9.506693 34.91967 8.297484 -8.843163      12.61846 
1 1 1 -44 22 8  o 27.68336 5.873161 95.74926       51.29153 -7.868022      78.56907 172.7050       67.71049 19.52926 8.590959 35.83746 8.010714 -16.30820      11.74632 
1 1 1 -44 22 9  o 75.77591 3.621217 719.2063       66.04204 704.3303       97.87742 731.6396       89.48139 74.91743 5.400044 76.63438 4.826217 -1.716942      7.242434 
1 1 1 -44 22 10 o 68.75855 3.805110 593.4786       63.18906 641.5103       92.24214 551.0088       86.73734 71.39186 5.340456 66.12524 5.421712 5.266617       7.610219 
1 1 1 -44 22 11 o 82.94225 3.562613 866.2304       71.45356 863.4346       102.5823 868.8654       99.58554 82.75677 5.123496 83.12772 4.951630 -0.3709412     7.125226 
1 1 1 -44 22 12 o 26.28435 6.929484 88.14133       59.93103 62.82853       85.70923 112.3577       83.83247 24.25932 9.683429 28.30938 9.914748 -4.050060      13.85897 
1 1 1 -44 22 13 o 18.47389 5.957741 -25.07696      58.65480 -38.75502      79.01539 -8.288850      87.53872 17.28943 7.999737 19.65836 8.830795 -2.368929      11.91548 
1 1 1 -44 22 14 o 20.68025 6.384029 21.73766       60.33113 17.49621       84.45235 26.15824       86.21725 20.36116 8.933013 20.99935 9.122752 -0.6381855     12.76806 
1 1 1 -44 24 5  o 27.15309 8.039742 60.71880       89.43905 94.97918       111.1218 -2.302201      150.7113 28.42372 11.12502 25.88246 11.60964 2.541260       16.07948 
1 1 1 -44 24 6  o 36.04568 8.248243 191.9844       100.5188 318.2629       127.1153 -18.76264      164.2154 46.01659 11.46092 26.07478 11.86514 19.94182       16.49649 
1 1 1 -44 24 7  o 29.96268 7.686613 86.19736       94.84888 233.5515       116.8561 -198.3343      162.3811 39.06755 11.55456 20.85781 10.14042 18.20974       15.37323 
1 1 1 -44 24 8  o 32.13279 9.178140 136.9527       103.0534 130.9935       121.4341 152.2903       194.8163 30.70940 11.73264 33.55618 14.11730 -2.846786      18.35628 
1 1 1 -44 24 9  o 82.90025 6.070071 980.3494       94.40417 1006.495       106.2382 882.2130       205.8231 89.12672 4.926863 76.67378 11.09545 12.45294       12.14014 
1 1 1 -44 24 10 o 27.55189 6.960150 108.6807       58.56077 113.8672       85.91663 104.1805       80.03111 28.02868 10.01572 27.07509 9.667475 0.9535885      13.92030 
1 1 1 -44 24 11 o 19.54855 6.141197 1.789524       58.53862 21.51398       82.51958 -18.19184      83.05524 20.59755 8.936564 18.49955 8.425853 2.098000       12.28239 
1 1 1 -44 24 12 o 14.36888 4.976705 -140.2942      59.20949 -224.3472      84.57981 -59.51794      82.91476 12.30199 6.195720 16.43578 7.789955 -4.133784      9.953409 
1 1 1 -43 1  1  o 162.8234 2.734036 3210.610       107.7006 3218.495       152.0601 3202.672       152.5644 163.0245 3.855318 162.6222 3.877671 0.4022369      5.468072 
1 1 1 -43 1  2  o 189.6898 2.933895 4358.094       134.6448 4357.910       190.1817 4358.278       190.6522 189.6861 4.144106 189.6935 4.154197 -0.7446289E-02 5.867791 
1 1 1 -43 1  3  o 160.8123 2.694153 3121.633       104.6461 2954.606       143.1023 3313.613       153.4198 156.2043 3.786616 165.4202 3.833455 -9.215912      5.388306 
1 1 1 -43 1  4  o 148.9378 2.986691 2680.337       92.93788 2674.020       107.1097 2699.584       186.9570 148.6310 2.978635 149.2447 5.177742 -0.6137543     5.973382 
1 1 1 -43 1  5  o 131.7364 2.869667 2133.914       80.34069 2170.242       93.87948 2034.503       155.2984 133.9017 2.897892 129.5711 4.954006 4.330582       5.739334 
1 1 1 -43 1  6  o 200.0933 3.480654 4746.263       143.3675 4654.136       163.4161 5054.135       298.7358 196.0612 3.445091 204.1253 6.049061 -8.064102      6.961307 
1 1 1 -43 1  7  o 162.6971 3.091424 3255.545       106.6463 3309.918       124.4557 3105.294       206.8871 165.3519 3.111023 160.0422 5.343141 5.309769       6.182849 
1 1 1 -43 1  8  o 155.2936 3.234788 2951.440       115.7782 3021.660       144.2924 2824.510       193.9965 157.9551 3.775786 152.6321 5.253461 5.322998       6.469576 
1 1 1 -43 1  9  o 220.5750 3.684656 5902.009       170.4427 5904.657       196.9506 5894.111       340.1594 220.8031 3.686803 220.3470 6.380771 0.4561462      7.369312 
1 1 1 -43 1  10 o 166.7824 2.717576 3366.800       109.6097 3263.807       152.4010 3477.165       157.7611 164.1426 3.837638 169.4221 3.848819 -5.279480      5.435152 
1 1 1 -43 1  11 o 96.29621 2.416605 1123.465       56.28283 1102.813       80.11572 1143.589       79.08614 95.42036 3.470359 97.17207 3.364005 -1.751709      4.833210 
1 1 1 -43 1  12 o 66.99216 2.714395 546.8915       43.45103 443.6219       60.85116 654.3218       62.06489 60.49341 4.157752 73.49090 3.490681 -12.99749      5.428789 
1 1 1 -43 1  13 o 142.9724 2.559597 2468.330       88.36594 2648.810       129.8295 2312.560       120.6152 147.8221 3.630212 138.1228 3.609393 9.699234       5.119195 
1 1 1 -43 1  14 o 67.50203 2.620512 552.7859       42.79210 562.3849       60.58601 543.2303       60.44856 68.08825 3.677882 66.91581 3.733833 1.172440       5.241024 
1 1 1 -43 1  15 o 64.31132 2.734619 505.0427       42.17469 583.8830       59.80023 427.0208       59.48904 69.35142 3.564062 59.27122 4.148498 10.08020       5.469238 
1 1 1 -43 1  16 o 129.6532 3.075127 2031.768       90.51030 2000.436       109.9697 2097.561       159.3567 128.2780 3.543387 131.0283 5.026931 -2.750305      6.150255 
1 1 1 -43 1  17 o 29.15541 4.450107 108.0350       31.38741 146.2229       44.86169 71.41679       43.92999 34.50315 5.374210 23.80767 7.094481 10.69548       8.900213 
1 1 1 -43 1  18 o 58.92625 2.727990 424.4313       38.87372 409.3947       54.93348 439.5143       55.01811 57.87036 3.923546 59.98213 3.791241 -2.111771      5.455980 
1 1 1 -43 1  19 o 51.96799 4.326082 332.1765       54.39175 332.1765       54.39175 0.000000       0.000000 51.96799 4.326082 ?        ?        ?              ?        
1 1 1 -43 1  20 o 22.69404 4.900592 65.98064       29.60412 78.48922       42.67663 54.37870       41.10090 24.42973 6.910845 20.95836 6.950068 3.471375       9.801185 
1 1 1 -43 3  1  o 151.7320 3.052601 2827.639       97.47060 2868.655       113.2304 2710.292       191.5261 153.9398 3.040253 149.5242 5.294371 4.415695       6.105203 
1 1 1 -43 3  2  o 460.4160 6.732975 26170.56       663.1771 26593.86       777.9135 25044.62       1268.716 468.0578 6.869569 452.7742 11.58192 15.28360       13.46595 
1 1 1 -43 3  3  o 382.5104 5.668782 18145.79       468.3469 18616.01       553.8771 16966.09       877.3001 391.8019 5.843117 373.2189 9.715881 18.58301       11.33756 
1 1 1 -43 3  4  o 206.1967 3.555170 5113.803       152.4056 5077.061       175.0254 5229.030       309.9541 204.7726 3.532864 207.6207 6.170559 -2.848022      7.110339 
1 1 1 -43 3  5  o 259.1768 4.137381 8227.963       227.4604 8318.232       265.1209 7976.204       442.7594 262.0580 4.181617 256.2955 7.140432 5.762512       8.274762 
1 1 1 -43 3  6  o 328.0858 4.958263 13367.39       351.9675 13759.30       417.0524 12397.38       656.1214 336.9203 5.116360 319.2512 8.494726 17.66919       9.916527 
1 1 1 -43 3  7  o 134.8159 2.909540 2281.861       83.48645 2379.049       98.33403 2030.934       158.0049 140.1910 2.899222 129.4409 5.045413 10.75006       5.819079 
1 1 1 -43 3  8  o 32.45282 5.119467 118.3753       38.30633 79.79218       46.86189 196.0738       66.50085 25.34112 7.266821 39.56452 7.213119 -14.22340      10.23893 
1 1 1 -43 3  9  o 158.3931 3.076947 3067.073       102.5118 3095.357       118.8948 2985.128       202.3695 159.8957 3.073433 156.8905 5.331457 3.005157       6.153895 
1 1 1 -43 3  10 o 214.0304 3.632130 5569.515       163.2738 5583.691       188.9128 5527.662       324.5945 214.7066 3.636752 213.3542 6.288363 1.352402       7.264259 
1 1 1 -43 3  11 o 146.4576 3.012305 2620.502       92.79188 2642.032       107.5931 2558.001       183.3214 147.7131 3.010670 145.2020 5.218410 2.511124       6.024611 
1 1 1 -43 3  12 o 59.83009 3.428418 430.1992       41.94010 426.6419       47.79082 442.1178       87.47787 59.34508 3.328568 60.31509 5.994734 -0.9700165     6.856836 
1 1 1 -43 3  13 o 125.6411 2.930949 1926.419       76.43469 1937.322       87.99866 1892.921       154.2475 126.4630 2.876141 124.8192 5.107805 1.643806       5.861899 
1 1 1 -43 3  14 o 146.4304 2.586831 2601.293       91.64117 2575.274       129.2757 2627.576       129.9272 145.6933 3.667540 147.1675 3.649101 -1.474182      5.173663 
1 1 1 -43 3  15 o 199.2933 3.012701 4830.213       145.2549 4796.354       204.2204 4864.881       206.6439 198.5890 4.250515 199.9976 4.270666 -1.408554      6.025402 
1 1 1 -43 3  16 o 55.33000 3.096863 376.2818       41.05890 429.0781       57.49068 321.3177       58.65905 59.35936 4.003188 51.30065 4.726176 8.058712       6.193727 
1 1 1 -43 3  17 o 54.71369 3.268025 346.0051       42.03659 472.8138       69.71857 273.5716       52.69188 62.14930 4.636709 47.27808 4.606611 14.87123       6.536049 
1 1 1 -43 3  18 o 44.89860 3.338204 248.5373       35.99345 285.3315       51.23727 212.6895       50.57407 48.23770 4.390329 41.55949 5.029853 6.678211       6.676407 
1 1 1 -43 3  19 o 67.85082 2.641461 565.0442       43.20389 623.7791       61.39237 507.4167       60.81084 71.39092 3.554423 64.31072 3.908367 7.080200       5.282921 
1 1 1 -43 3  20 o 59.08253 2.769159 429.2861       39.45172 441.2495       58.53901 419.3307       53.40067 59.79822 4.046269 58.36684 3.781623 1.431385       5.538318 
1 1 1 -43 5  1  o 246.6195 4.031279 7402.406       208.8711 7428.979       241.7712 7324.212       414.7333 247.6545 4.035115 245.5846 6.980163 2.069962       8.062557 
1 1 1 -43 5  2  o 194.0322 3.444624 4662.686       142.2784 4779.256       166.7744 4350.981       272.7124 198.6737 3.469658 189.3907 5.951741 9.283020       6.889249 
1 1 1 -43 5  3  o 75.87700 3.197401 749.4881       50.02049 806.2123       58.57279 596.6686       96.13927 81.60957 2.966556 70.14442 5.665071 11.46515       6.394801 
1 1 1 -43 5  4  o 209.1979 3.593736 5411.803       160.2245 5537.250       187.8390 5076.740       306.9849 213.8403 3.630729 204.5555 6.203027 9.284897       7.187471 
1 1 1 -43 5  5  o 256.4337 4.103691 8136.004       225.9053 8333.561       266.0292 7625.223       427.7602 262.2889 4.192248 250.5784 7.055931 11.71048       8.207381 
1 1 1 -43 5  6  o 117.0915 3.128932 1733.082       83.79139 1932.840       106.5848 1409.875       135.5762 126.3424 3.486937 107.8405 5.196358 18.50184       6.257864 
1 1 1 -43 5  7  o 202.1592 3.511565 5052.174       150.9092 5165.004       176.6304 4747.174       290.4049 206.5247 3.535014 197.7937 6.068610 8.730957       7.023130 
1 1 1 -43 5  8  o 122.7742 5.041493 1827.484       149.7506 0.000000       0.000000 1827.484       149.7506 ?        ?        122.7742 5.041493 ?              ?        
1 1 1 -43 5  9  o 262.3772 4.210312 8339.662       230.5259 8323.884       265.5883 8387.864       464.2124 262.0982 4.188347 262.6562 7.305111 -0.5579834     8.420624 
1 1 1 -43 5  10 o 287.8674 4.564680 9834.599       266.9611 9645.127       302.6067 10499.70       566.9583 282.0838 4.434024 293.6510 7.980266 -11.56720      9.129359 
1 1 1 -43 5  11 o 121.6438 2.942662 1649.909       71.77674 1548.507       80.21745 2057.109       160.7495 113.0836 2.932020 130.2040 5.102969 -17.12042      5.885324 
1 1 1 -43 5  12 o 126.8864 3.035697 1957.430       78.68439 1961.489       89.85281 1944.081       162.9583 127.2596 2.918360 126.5132 5.324002 0.7463379      6.071394 
1 1 1 -43 5  13 o 97.35638 3.287373 1211.041       70.62029 1316.735       86.28304 996.5497       122.9150 104.2164 3.422057 90.49642 5.613983 13.71993       6.574746 
1 1 1 -43 5  14 o 83.46957 3.166432 890.8198       52.92863 929.1026       60.63257 768.2332       108.4989 87.55234 2.862437 79.38682 5.649037 8.165520       6.332864 
1 1 1 -43 5  15 o 35.97375 5.559032 170.0774       38.30010 175.2341       42.39311 147.1743       89.34197 37.92493 4.620279 34.02257 10.11259 3.902355       11.11806 
1 1 1 -43 5  16 o 27.27476 4.801665 92.58866       33.70078 147.5896       49.23527 44.10339       46.22703 34.12839 6.190901 20.42113 7.341437 13.70726       9.603331 
1 1 1 -43 5  17 o 41.11288 3.706387 207.9464       36.59208 241.9859       52.67606 176.2021       50.86926 44.40807 4.902855 37.81769 5.559786 6.590382       7.412773 
1 1 1 -43 5  18 o 32.54818 4.740116 125.9853       36.48247 197.6205       59.26289 82.27178       46.29428 39.84802 6.147149 25.24833 7.217157 14.59969       9.480232 
1 1 1 -43 5  19 f 22.69349 5.101195 63.21993       31.74636 81.91685       47.41253 48.02510       42.74210 25.07048 7.344431 20.31651 7.081532 4.753975       10.20239 
1 1 1 -43 5  20 f 22.14846 5.101102 62.40548       31.43277 67.12179       43.57398 57.28860       45.38671 22.76390 7.121963 21.53302 7.304973 1.230873       10.20220 
1 1 1 -43 7  1  o 138.5351 3.115918 2310.059       88.38226 2296.649       100.8251 2354.551       183.6562 137.7337 3.025700 139.3364 5.448020 -1.602676      6.231836 
1 1 1 -43 7  2  o 322.0962 4.938570 12775.52       339.1117 12976.93       396.8869 12230.82       652.6802 327.1831 5.013875 317.0093 8.509933 10.17386       9.877140 
1 1 1 -43 7  3  o 230.8467 3.843945 6625.393       190.2328 6827.160       224.2229 6107.079       359.3771 237.4150 3.903637 224.2785 6.623086 13.13644       7.687891 
1 1 1 -43 7  4  o 232.1184 3.867433 6578.979       188.7379 6625.793       218.7444 6442.594       373.3655 233.8902 3.865652 230.3466 6.699618 3.543579       7.734866 
1 1 1 -43 7  5  o 195.0807 3.500204 4568.214       140.8873 4527.685       161.1611 4699.583       290.1523 193.3677 3.444881 196.7938 6.094137 -3.426163      7.000408 
1 1 1 -43 7  6  o 106.3669 3.039472 1374.806       65.63060 1378.174       74.74910 1363.474       137.1193 106.6985 2.895646 106.0353 5.344979 0.6632004      6.078945 
1 1 1 -43 7  7  o 203.6235 3.559207 5074.286       152.4234 5123.584       176.8029 4931.588       300.8019 205.6848 3.552916 201.5621 6.168355 4.122696       7.118413 
1 1 1 -43 7  8  o 302.0517 4.963312 11231.31       348.1903 11629.54       439.5406 10560.38       570.5211 309.5470 5.869082 294.5564 8.005731 14.99060       9.926623 
1 1 1 -43 7  9  o 167.3319 3.240788 3373.262       111.6093 3354.314       127.6258 3434.861       230.1140 166.4336 3.169533 168.2302 5.653751 -1.796631      6.481576 
1 1 1 -43 7  10 o 38.80960 5.143335 159.8798       38.99984 141.6036       43.28137 238.7864       89.93193 34.15955 5.237048 43.45966 8.853750 -9.300110      10.28667 
1 1 1 -43 7  11 o 136.4475 3.107126 2213.721       85.55305 2178.680       96.77406 2339.084       183.0428 134.1212 2.982355 138.7739 5.451832 -4.652771      6.214251 
1 1 1 -43 7  12 o 135.9488 3.105657 2208.801       85.03291 2181.676       96.19385 2305.771       181.8750 134.1924 2.962900 137.7052 5.459088 -3.512817      6.211313 
1 1 1 -43 7  13 o 210.9467 3.687221 5345.813       159.1911 5286.257       181.3826 5545.509       332.1353 208.7498 3.591430 213.1436 6.440810 -4.393845      7.374442 
1 1 1 -43 7  14 o 32.07488 5.851882 129.2898       38.29210 132.0379       42.04031 115.9072       92.77222 32.90513 5.280804 31.24464 10.44467 1.660492       11.70376 
1 1 1 -43 7  15 f 150.7077 3.210187 2744.719       97.65546 2724.297       110.7340 2816.181       207.1382 149.7920 3.055554 151.6233 5.646663 -1.831284      6.420375 
1 1 1 -43 7  16 o 68.25616 3.923686 593.6694       48.97760 605.6545       54.18526 540.1547       114.4975 70.57243 3.173538 65.93988 7.177041 4.632553       7.847373 
1 1 1 -43 7  17 o 107.7819 3.164281 1421.095       67.84487 1418.940       76.62780 1428.911       145.9456 107.9965 2.932745 107.5673 5.608003 0.4291840      6.328562 
1 1 1 -43 7  18 o 18.53170 4.715825 12.52559       33.29484 77.79861       47.25624 -51.81531      46.91761 24.60175 7.364319 12.46165 5.892609 12.14010       9.431650 
1 1 1 -43 7  19 o 33.07791 4.947526 145.1009       37.66393 138.4339       59.85511 149.4711       48.46096 32.16449 7.777207 33.99133 6.117767 -1.826843      9.895051 
1 1 1 -43 7  20 o 18.23566 4.942273 20.97245       33.06267 62.04256       48.53856 -14.57836      45.15945 22.22653 7.554292 14.24478 6.374710 7.981750       9.884546 
1 1 1 -43 9  1  o 138.5891 3.212395 2267.275       89.85374 2219.775       101.5213 2439.024       193.0458 135.3997 3.099113 141.7786 5.627914 -6.378906      6.424789 
1 1 1 -43 9  2  o 200.9843 3.606238 4851.858       149.1415 4810.411       170.4098 4987.507       308.2873 199.2959 3.534223 202.6726 6.287215 -3.376648      7.212476 
1 1 1 -43 9  3  o 225.3687 3.846133 6163.211       180.0564 6165.200       207.0923 6157.049       364.4712 225.6031 3.794168 225.1344 6.691431 0.4686584      7.692266 
1 1 1 -43 9  4  o 238.7117 3.956967 6974.937       199.0899 7040.186       231.1798 6787.626       391.6917 241.0661 3.963798 236.3574 6.849720 4.708679       7.913935 
1 1 1 -43 9  5  o 357.0053 5.427752 15498.79       405.2209 15493.56       467.5854 15514.58       812.1294 357.3852 5.407819 356.6254 9.412623 0.7597656      10.85550 
1 1 1 -43 9  6  f 380.4922 5.707252 17828.07       461.6241 18059.45       539.1014 17192.15       893.7457 385.7569 5.776363 375.2276 9.845026 10.52933       11.41450 
1 1 1 -43 9  7  o 271.0960 4.335989 9023.669       248.4541 9131.757       289.1402 8718.620       485.7400 274.4886 4.353934 267.7034 7.499764 6.785248       8.671978 
1 1 1 -43 9  8  o 186.3194 3.688915 4104.182       152.4506 3951.592       180.7232 4480.667       283.8732 180.5703 4.136807 192.0684 6.108943 -11.49812      7.377829 
1 1 1 -43 9  9  o 117.3173 3.157651 1637.146       73.68598 1613.730       82.91013 1725.164       160.7456 115.4378 2.968639 119.1968 5.574068 -3.758995      6.315302 
1 1 1 -43 9  10 o 166.6340 3.356837 3239.627       111.4745 3145.728       125.1065 3601.428       245.5759 161.1428 3.208976 172.1251 5.897108 -10.98232      6.713674 
1 1 1 -43 9  11 o 71.79610 3.957244 633.4499       50.33510 636.5604       54.98857 617.3706       125.0235 72.47902 3.135869 71.11318 7.266735 1.365837       7.914487 
1 1 1 -43 9  12 o 108.4561 3.185297 1458.344       69.27205 1482.401       78.80453 1376.562       145.2991 110.5977 2.945118 106.3144 5.648961 4.283340       6.370595 
1 1 1 -43 9  13 o 44.60022 5.369669 224.5317       42.53915 212.7520       46.30964 288.1618       107.6306 41.81760 4.577306 47.38284 9.715023 -5.565239      10.73934 
1 1 1 -43 9  14 o 83.30179 3.488554 851.7684       55.45362 854.8840       61.80552 838.9055       125.5833 83.92294 3.043998 82.68063 6.278067 1.242310       6.977109 
1 1 1 -43 9  15 f 55.22434 4.440536 362.6264       44.20554 356.1400       48.26065 396.4307       110.1735 54.08226 3.688383 56.36642 8.078939 -2.284161      8.881072 
1 1 1 -43 9  16 o 92.82341 3.477902 1103.481       61.70304 1135.231       69.30088 982.0345       135.5371 96.61504 2.964774 89.03178 6.292322 7.583260       6.955804 
1 1 1 -43 9  17 o 38.51860 6.014398 140.8120       42.88591 112.4999       46.45520 304.1047       111.5660 29.44428 6.675210 47.59291 10.00667 -18.14863      12.02880 
1 1 1 -43 9  18 o 52.26841 4.471097 316.4080       45.16575 299.6304       49.97577 391.1957       105.5140 49.34407 4.186222 55.19275 7.901795 -5.848671      8.942193 
1 1 1 -43 9  19 o 29.52151 6.472285 86.49361       48.47688 45.39336       56.28071 204.6401       95.42183 21.04689 8.000203 37.99613 10.17638 -16.94924      12.94457 
1 1 1 -43 9  20 o 50.62909 5.419723 325.4639       66.38646 325.4639       66.38646 0.000000       0.000000 50.62909 5.419723 ?        ?        ?              ?        
1 1 1 -43 11 1  o 170.9327 2.870878 3537.057       118.6513 3426.589       164.3070 3657.440       171.5219 168.1485 4.038879 173.7169 4.081080 -5.568451      5.741755 
1 1 1 -43 11 2  f 92.95977 2.786169 1045.874       62.59691 980.8267       87.03021 1115.592       90.10039 89.96643 3.998410 95.95311 3.881194 -5.986679      5.572337 
1 1 1 -43 11 3  o 137.9192 2.690949 2302.830       89.75613 2380.226       129.0101 2230.223       124.9557 140.1635 3.804403 135.6749 3.806750 4.488602       5.381898 
1 1 1 -43 11 4  o 294.8894 4.009259 10555.42       286.0285 10501.23       402.4084 10610.75       406.6356 294.1272 5.654959 295.6516 5.684900 -1.524384      8.018518 
1 1 1 -43 11 5  f 177.8677 4.157843 3834.376       178.9235 0.000000       0.000000 3834.376       178.9235 ?        ?        177.8677 4.157843 ?              ?        
1 1 1 -43 11 6  o 131.3222 2.663889 2087.252       84.58853 2014.268       117.3147 2166.286       122.0800 128.9342 3.760816 133.7103 3.773787 -4.776108      5.327777 
1 1 1 -43 11 7  f 115.0697 2.667216 1600.976       74.09727 1460.539       102.3990 1755.336       107.3553 109.7798 3.855412 120.3595 3.686727 -10.57963      5.334432 
1 1 1 -43 11 8  o 123.2548 3.151306 1869.270       90.81456 1733.492       145.8902 1955.166       116.0375 119.5009 5.046062 127.0087 3.776267 -7.507721      6.302613 
1 1 1 -43 11 9  o 67.33034 3.038456 551.3958       49.13467 469.6857       68.76851 636.6118       70.22832 62.20871 4.569158 72.45197 4.006451 -10.24326      6.076911 
1 1 1 -43 11 10 o 44.39520 3.854055 239.9453       41.34858 226.9782       58.51198 252.8803       58.43952 43.18927 5.599725 45.60112 5.296985 -2.411858      7.708111 
1 1 1 -43 11 11 f 76.87262 2.823209 715.5917       52.34774 798.3273       75.98160 640.8387       72.22308 81.09956 3.872466 72.64568 4.109262 8.453880       5.646418 
1 1 1 -43 11 12 o 132.0213 2.631718 2115.105       84.02715 2054.232       116.9289 2180.111       120.8319 130.0593 3.716021 133.9833 3.727593 -3.923996      5.263436 
1 1 1 -43 11 13 o 97.45145 2.668719 1154.728       62.83309 1074.778       88.03601 1237.739       89.70634 94.00031 3.871050 100.9026 3.674672 -6.902260      5.337438 
1 1 1 -43 11 14 o 64.70260 3.104629 517.0176       48.01493 453.7344       70.54104 571.6478       65.54105 60.91511 4.786460 68.49009 3.955336 -7.574978      6.209258 
1 1 1 -43 11 15 f 71.93655 4.483407 710.1389       54.97499 744.4774       60.36263 543.1291       133.1216 78.21472 3.189902 65.65837 8.380233 12.55635       8.966815 
1 1 1 -43 11 16 o 128.8292 3.323564 2079.738       85.63729 2112.521       97.38103 1967.876       179.8817 131.7019 3.056187 125.9564 5.902883 5.745476       6.647128 
1 1 1 -43 11 17 o 87.24471 3.784787 946.4416       62.31374 947.4142       69.23965 942.2963       142.9384 88.07090 3.249527 86.41850 6.836596 1.652397       7.569575 
1 1 1 -43 11 18 o 18.40858 5.904816 -7.043005      43.48358 2.664267       47.04135 -64.03332      113.9808 15.98603 6.839126 20.83113 9.627760 -4.845100      11.80963 
1 1 1 -43 11 19 o 57.48639 4.708057 407.6736       52.57427 394.9395       58.62738 459.9643       118.8034 56.35303 4.300123 58.61975 8.376883 -2.266716      9.416115 
1 1 1 -43 11 20 o 70.76723 4.516284 631.1650       77.32426 631.1650       77.32426 0.000000       0.000000 70.76723 4.516284 ?        ?        ?              ?        
1 1 1 -43 13 1  o 150.6565 2.804016 2749.228       102.1474 2859.117       147.3428 2647.543       141.7367 153.5518 3.966174 147.7613 3.964781 5.790466       5.608032 
1 1 1 -43 13 2  o 147.9850 2.800707 2655.347       100.2660 2694.108       141.8167 2616.606       141.7784 149.0673 3.932263 146.9027 3.989128 2.164612       5.601414 
1 1 1 -43 13 3  o 233.6673 3.418726 6626.905       193.2685 6631.008       272.8357 6622.771       273.8129 233.7415 4.824619 233.5930 4.844977 0.1484375      6.837452 
1 1 1 -43 13 4  o 141.5065 2.766982 2426.400       94.70358 2377.050       132.0605 2478.649       135.8835 140.0271 3.898151 142.9859 3.927998 -2.958801      5.533963 
1 1 1 -43 13 5  o 221.8058 3.300053 5970.359       177.0851 5950.109       249.2695 5990.992       251.6193 221.4282 4.653009 222.1833 4.680909 -0.7551575     6.600106 
1 1 1 -43 13 6  o 78.13383 2.895984 739.9750       54.72649 762.3644       78.55410 718.8601       76.28564 79.28151 4.095384 76.98616 4.095697 2.295349       5.791969 
1 1 1 -43 13 7  o 113.6805 3.067431 1532.706       81.49863 1438.781       101.4366 1703.748       136.8850 108.9187 3.849373 118.4422 4.776909 -9.523552      6.134862 
1 1 1 -43 13 8  o 70.32123 4.642272 582.1963       75.47529 536.7043       92.35934 673.6467       130.9503 66.39757 5.749450 74.24490 7.290169 -7.847328      9.284543 
1 1 1 -43 13 9  o 115.2337 2.645473 1608.260       73.67677 1546.099       101.4008 1677.777       107.2330 112.8821 3.712907 117.5853 3.769407 -4.703270      5.290946 
1 1 1 -43 13 10 o 49.57051 3.711535 298.9870       44.43823 305.6788       65.02941 293.1244       60.86716 50.08223 5.366904 49.05878 5.128187 1.023449       7.423069 
1 1 1 -43 13 11 o 27.98277 4.658726 80.34698       40.68357 198.0827       59.07491 -25.86735      56.11002 40.22952 6.069542 15.73603 7.069341 24.49349       9.317452 
1 1 1 -43 13 12 o 143.8806 2.732951 2516.800       95.08860 2429.659       132.1413 2610.382       136.9381 141.3001 3.865395 146.4611 3.864558 -5.161026      5.465902 
1 1 1 -43 13 13 o 27.86868 5.768563 99.15411       41.61775 85.87092       60.14935 111.3535       57.64338 26.35124 8.383623 29.38613 7.925915 -3.034897      11.53713 
1 1 1 -43 13 14 o 166.1006 2.874601 3368.766       115.4779 3493.502       165.3757 3250.071       161.3205 169.1089 4.042063 163.0923 4.088404 6.016541       5.749202 
1 1 1 -43 13 15 o 29.15444 5.803925 109.8872       42.58228 124.7527       63.61959 97.82256       57.31372 30.81200 8.333432 27.49688 8.080600 3.315121       11.60785 
1 1 1 -43 13 16 o 86.84055 2.857346 925.2624       59.99888 940.1260       86.57158 911.5243       83.22952 87.49590 4.089642 86.18520 3.991558 1.310707       5.714692 
1 1 1 -43 13 17 o 57.24356 3.616118 410.7864       49.04546 394.4818       76.64469 422.0924       63.82367 56.09335 5.647659 58.39378 4.517653 -2.300434      7.232236 
1 1 1 -43 13 18 o 24.45788 7.204020 37.10613       60.13610 23.79075       68.12997 84.06901       127.9496 20.24194 8.419851 28.67381 11.69178 -8.431868      14.40804 
1 1 1 -43 13 19 o 41.56066 6.066394 350.4520       56.26920 415.6036       61.70850 28.99465       137.0706 57.54706 4.432202 25.57426 11.29425 31.97280       12.13279 
1 1 1 -43 13 20 o 19.08892 9.111859 -85.24688      117.5691 -85.24688      117.5691 0.000000       0.000000 19.08892 9.111859 ?        ?        ?              ?        
1 1 1 -43 15 1  o 125.5971 2.737058 1914.843       83.13862 1919.204       116.0689 1910.248       119.1428 125.7500 3.815097 125.4442 3.925683 0.3058701      5.474116 
1 1 1 -43 15 2  o 35.05945 5.476320 156.8064       45.30552 135.3157       64.18149 178.1506       63.96243 32.58325 8.159637 37.53565 7.306206 -4.952400      10.95264 
1 1 1 -43 15 3  o 97.54021 2.815498 1154.817       66.42579 1157.828       92.99310 1151.682       94.91696 97.67376 3.935233 97.40665 4.027661 0.2671051      5.630995 
1 1 1 -43 15 4  o 116.9334 2.704253 1656.382       76.42853 1598.239       105.2499 1721.244       111.1650 114.7693 3.790475 119.0975 3.858010 -4.328171      5.408506 
1 1 1 -43 15 5  o 121.0188 2.733831 1765.553       79.73049 1646.902       107.1167 1912.955       119.3912 116.4968 3.800503 125.5408 3.930840 -9.043991      5.467661 
1 1 1 -43 15 7  o 43.86861 4.357077 232.1876       45.93742 271.9946       69.13548 200.7196       61.46887 47.20197 6.053947 40.53525 6.267871 6.666718       8.714154 
1 1 1 -43 15 8  f 98.56738 4.312120 1213.058       99.94209 1321.832       130.7740 1060.321       154.9639 104.1354 5.190638 92.99932 6.887292 11.13612       8.624240 
1 1 1 -43 15 9  o 104.0831 2.757342 1317.185       69.37309 1320.191       96.17522 1313.924       100.1630 104.2181 3.814324 103.9481 3.982798 0.2700424      5.514685 
1 1 1 -43 15 10 o 84.48723 4.066483 869.0583       83.12129 0.000000       0.000000 869.0583       83.12129 ?        ?        84.48723 4.066483 ?              ?        
1 1 1 -43 15 11 o 65.84664 3.289895 531.9554       52.07057 507.6728       77.11185 552.3081       70.59656 64.41671 4.947893 67.27657 4.337279 -2.859863      6.579790 
1 1 1 -43 15 12 o 68.04153 3.278943 566.9175       53.94770 557.5328       77.16891 575.8881       75.44737 67.47494 4.727130 68.60813 4.545338 -1.133194      6.557885 
1 1 1 -43 15 13 o 54.22686 3.702087 362.8196       48.41802 349.9297       70.52493 374.3117       66.59112 53.27012 5.472133 55.18361 4.987741 -1.913486      7.404175 
1 1 1 -43 15 14 o 165.2772 2.934233 3348.963       117.3100 3396.960       165.2447 3300.195       166.5661 166.4959 4.102244 164.0585 4.196485 2.437454       5.868466 
1 1 1 -43 15 15 o 110.5117 4.013031 1499.819       107.2959 0.000000       0.000000 1499.819       107.2959 ?        ?        110.5117 4.013031 ?              ?        
1 1 1 -43 15 16 o 52.83231 4.047839 341.6996       50.96472 436.7240       78.88749 273.6279       66.76884 59.04603 5.522238 46.61860 5.919871 12.42743       8.095677 
1 1 1 -43 15 17 o 19.43252 5.535832 16.38365       44.91954 -60.47842      72.68315 63.88321       57.13766 15.93326 7.471458 22.93178 8.170622 -6.998522      11.07166 
1 1 1 -43 15 18 o 56.42759 4.001719 405.7490       54.45298 450.5036       80.62353 368.2095       73.83921 59.29267 5.620287 53.56251 5.698018 5.730156       8.003439 
1 1 1 -43 15 19 o 52.60982 4.442616 372.0863       55.64630 335.1089       83.24661 401.9548       74.81796 49.71073 6.921721 55.50891 5.571098 -5.798180      8.885233 
1 1 1 -43 17 1  o 73.17189 3.203208 652.3690       56.69290 632.7440       79.66988 672.5005       80.69161 72.05247 4.570282 74.29132 4.489397 -2.238853      6.406416 
1 1 1 -43 17 2  o 44.10852 4.637726 252.7982       45.20749 355.0944       63.94693 150.5909       63.91915 53.95825 4.898459 34.25879 7.876491 19.69947       9.275452 
1 1 1 -43 17 3  o 105.8790 2.791940 1360.285       71.41772 1264.782       98.70309 1465.226       103.4649 101.9795 4.000510 109.7785 3.895592 -7.798965      5.583880 
1 1 1 -43 17 4  f 18.77564 5.409225 -1.192317      41.27784 52.64774       62.34397 -43.21688      55.07993 23.02252 8.488414 14.52876 6.707139 8.493763       10.81845 
1 1 1 -43 17 5  o 62.07095 3.440561 470.2422       51.61644 460.6621       74.19956 479.2253       71.85046 61.44470 4.991311 62.69721 4.736734 -1.252514      6.881122 
1 1 1 -43 17 6  o 92.77605 2.885870 1048.652       64.69313 990.8657       91.69866 1105.916       91.28255 90.21193 4.201426 95.34016 3.957397 -5.128235      5.771739 
1 1 1 -43 17 7  o 169.3925 2.941044 3495.132       120.5291 3483.143       170.6970 3507.052       170.2119 169.0991 4.172366 169.6859 4.146122 -0.5867462     5.882088 
1 1 1 -43 17 9  o 79.62733 3.091205 773.5858       59.52215 742.7545       82.85470 806.4672       85.56477 77.98589 4.391358 81.26877 4.351801 -3.282883      6.182410 
1 1 1 -43 17 10 o 57.45597 3.668979 404.4664       50.92486 421.8592       74.55476 389.2541       69.72486 58.59960 5.258699 56.31234 5.117783 2.287266       7.337957 
1 1 1 -43 17 11 o 72.73734 3.291068 649.6909       57.83800 620.9579       82.58925 677.3448       81.02378 71.12564 4.799489 74.34902 4.504379 -3.223381      6.582137 
1 1 1 -43 17 12 o 103.1242 2.860633 1299.220       71.29691 1230.781       98.34116 1375.050       103.5159 100.2648 4.054009 105.9836 4.037066 -5.718880      5.721266 
1 1 1 -43 17 13 o 44.65581 4.543671 245.8491       48.69376 286.1469       74.64690 216.0000       64.24466 47.78275 6.457112 41.52887 6.394176 6.253883       9.087342 
1 1 1 -43 17 14 o 25.33659 6.390066 75.89858       49.04901 80.71879       74.93954 72.28612       64.87540 26.04760 9.349128 24.62558 8.713529 1.422022       12.78013 
1 1 1 -43 17 15 o 42.24644 5.297094 237.5524       52.07423 206.6732       77.38235 263.1104       70.40002 39.00451 8.444902 45.48837 6.396908 -6.483856      10.59419 
1 1 1 -43 17 16 o 30.58247 6.598603 131.3701       53.20865 128.2572       79.12223 133.9401       71.89298 30.25287 9.614345 30.91206 9.040498 -0.6591892     13.19721 
1 1 1 -43 17 17 o 44.73214 5.533721 273.0393       57.56431 205.8361       78.65517 350.5502       84.47221 37.90005 8.754410 51.56422 6.771160 -13.66417      11.06744 
1 1 1 -43 17 18 o 40.11673 6.379330 238.8645       60.42024 201.4168       81.32293 285.0053       90.26997 36.34724 9.230510 43.88622 8.808014 -7.538982      12.75866 
1 1 1 -43 19 1  o 99.05464 2.944604 1197.343       70.53349 1249.228       101.2553 1148.433       98.30875 101.1436 4.137874 96.96571 4.190556 4.177864       5.889207 
1 1 1 -43 19 2  o 28.58871 6.018999 105.2769       45.10537 85.71648       68.57618 120.1917       59.88147 26.72360 8.979691 30.45383 8.017390 -3.730234      12.03800 
1 1 1 -43 19 3  o 40.35112 5.099283 197.5365       47.50662 296.0840       74.72837 130.6956       61.54373 48.96553 6.308015 31.73671 8.013720 17.22881       10.19857 
1 1 1 -43 19 4  o 55.26995 3.867152 374.3792       51.64260 395.4475       75.39844 355.7614       70.87828 56.72704 5.493763 53.81286 5.444083 2.914173       7.734305 
1 1 1 -43 19 5  o 95.08704 2.926062 1105.148       67.20747 1075.125       96.98991 1132.879       93.21394 93.81443 4.273213 96.35963 3.998374 -2.545204      5.852123 
1 1 1 -43 19 6  o 124.7288 2.811787 1897.361       84.81676 1970.742       121.6198 1827.878       118.3452 127.0808 3.955687 122.3768 3.997140 4.704033       5.623574 
1 1 1 -43 19 7  o 151.1716 4.166897 2793.010       152.4002 2793.010       152.4002 0.000000       0.000000 151.1716 4.166897 ?        ?        ?              ?        
1 1 1 -43 19 8  o 91.33768 3.096080 1017.700       68.24120 1125.570       99.66889 922.5067       93.62926 95.89743 4.295862 86.77792 4.459642 9.119514       6.192160 
1 1 1 -43 19 9  o 59.16669 3.944685 432.7882       55.69203 530.7859       80.83835 344.2566       76.83492 65.65026 5.089541 52.68311 6.028162 12.96715       7.889371 
1 1 1 -43 19 10 o 26.13951 6.230611 81.28968       46.80027 104.4281       70.43732 63.00151       62.62115 28.54155 9.071440 23.73746 8.543480 4.804096       12.46122 
1 1 1 -43 19 11 o 101.4893 2.981209 1266.164       73.13935 1326.080       103.4943 1206.386       103.3751 103.9257 4.116149 99.05283 4.313669 4.872894       5.962417 
1 1 1 -43 19 12 o 38.13309 5.608064 199.9610       50.92737 122.1192       75.07899 266.3011       69.31070 30.24818 9.329812 46.01800 6.225443 -15.76982      11.21613 
1 1 1 -43 19 13 o 68.32085 5.044482 581.7732       83.38197 0.000000       0.000000 581.7732       83.38197 ?        ?        68.32085 5.044482 ?              ?        
1 1 1 -43 19 14 o 46.38622 4.933978 278.2440       53.34280 346.3612       79.35779 222.0989       72.04720 52.06918 6.299507 40.70327 7.595576 11.36591       9.867956 
1 1 1 -43 19 15 o 18.00799 5.544269 -42.14697      52.41072 53.17317       71.98102 -149.7034      76.46166 22.70807 8.933833 13.30791 6.568280 9.400157       11.08854 
1 1 1 -43 19 16 f 28.07755 6.900945 114.4646       57.11686 116.8119       75.16035 111.2562       87.87196 28.29585 9.399214 27.85925 10.10678 0.4365997      13.80189 
1 1 1 -43 19 17 o 24.71071 6.665172 74.66843       61.42713 141.4141       83.80674 -2.817523      90.29816 29.72692 9.927217 19.69450 8.896539 10.03242       13.33034 
1 1 1 -43 21 1  f 22.84170 6.218632 37.56425       49.32559 85.31921       77.42263 4.938497       63.99396 26.90009 9.518866 18.78331 8.004795 8.116776       12.43726 
1 1 1 -43 21 2  o 86.91977 3.071172 919.6102       64.31676 1019.427       96.31001 839.2617       86.40871 91.13529 4.367999 82.70425 4.318445 8.431038       6.142343 
1 1 1 -43 21 3  o 33.89456 5.897643 137.7486       51.16291 249.5465       80.64610 62.44342       66.18793 43.81399 7.898521 23.97514 8.760259 19.83885       11.79529 
1 1 1 -43 21 4  o 120.2062 2.910849 1768.223       84.60197 1839.179       122.2064 1702.919       117.2387 122.5168 4.122836 117.8956 4.110277 4.621239       5.821697 
1 1 1 -43 21 5  o 97.98769 3.043416 1170.493       71.85211 1329.480       106.1056 1035.839       97.64883 104.1228 4.212018 91.85258 4.394135 12.27020       6.086832 
1 1 1 -43 21 6  o 82.81902 3.318845 842.9765       66.44194 888.5823       96.19079 801.3638       91.88334 84.96188 4.679582 80.67616 4.707489 4.285713       6.637691 
1 1 1 -43 21 7  o 52.93304 4.354224 353.9899       55.04468 307.3057       80.55001 394.8902       75.39526 49.45835 6.731682 56.40773 5.524628 -6.949379      8.708447 
1 1 1 -43 21 8  o 66.90335 3.616828 553.8138       58.35008 617.0872       84.09129 495.0596       81.03263 70.64324 4.920147 63.16346 5.302635 7.479778       7.233656 
1 1 1 -43 21 9  o 32.01174 6.450359 136.7216       51.95469 151.1942       79.73065 126.0412       68.49310 33.36001 9.449135 30.66346 8.783073 2.696550       12.90072 
1 1 1 -43 21 10 o 105.1796 3.058687 1364.510       77.43978 1557.196       111.8975 1187.394       107.2811 112.3998 4.114833 97.95930 4.526633 14.44054       6.117374 
1 1 1 -43 21 11 o 43.94411 5.561481 261.6691       56.30850 213.9499       84.81107 299.2848       75.29928 39.38876 9.085081 48.49947 6.417287 -9.110718      11.12296 
1 1 1 -43 21 12 o 68.40599 3.778650 585.8424       62.34881 643.6647       92.38094 537.4707       84.49493 71.48866 5.341250 65.32331 5.346384 6.165352       7.557299 
1 1 1 -43 21 13 o 22.23246 6.402781 35.69543       56.05632 -3.537552      79.68835 74.12598       78.86922 19.51811 8.616049 24.94682 9.473442 -5.428707      12.80556 
1 1 1 -43 21 14 o 17.80260 5.595797 -51.61142      53.67862 49.64124       77.79821 -143.6119      74.15857 22.54280 9.145203 13.06240 6.451128 9.480400       11.19159 
1 1 1 -43 21 15 o 25.08028 6.655991 46.28182       64.36354 -60.52349      86.52023 178.6322       96.31277 17.01603 8.032623 33.14453 10.61536 -16.12850      13.31198 
1 1 1 -43 21 16 o 38.62800 6.146104 214.8205       66.84923 58.64385       87.35242 435.5694       103.8523 22.52971 9.464442 54.72630 7.843642 -32.19659      12.29221 
1 1 1 -43 23 1  o 21.65213 6.063816 32.00555       50.57510 -23.05116      76.58558 74.58328       67.34930 18.42970 8.270682 24.87457 8.869908 -6.444864      12.12763 
1 1 1 -43 23 2  o 81.51106 3.507813 831.5966       68.63371 726.5158       98.16281 932.0954       95.99879 76.27358 5.319496 86.74855 4.574053 -10.47497      7.015625 
1 1 1 -43 23 3  o 26.41645 6.620403 85.41982       52.61568 86.78168       80.44478 84.40166       69.55669 26.80139 9.678301 26.03152 9.036009 0.7698746      13.24081 
1 1 1 -43 23 4  o 42.02307 5.735315 246.0500       55.67438 158.2541       83.09815 317.5580       74.99485 33.88082 9.664059 50.16532 6.179104 -16.28450      11.47063 
1 1 1 -43 23 5  o 61.01562 4.031828 475.5258       58.32465 404.9312       86.94244 533.2919       78.64702 56.55722 6.353917 65.47401 4.964905 -8.916798      8.063656 
1 1 1 -43 23 6  o 92.42855 4.470902 1058.073       99.97781 0.000000       0.000000 1058.073       99.97781 ?        ?        92.42855 4.470902 ?              ?        
1 1 1 -43 23 7  o 30.46663 6.851309 124.8583       56.60511 144.8137       85.42862 109.2401       75.57704 32.30754 9.949980 28.62572 9.421234 3.681826       13.70262 
1 1 1 -43 23 8  o 35.33948 6.396265 168.4782       54.92352 218.1762       84.94955 132.7818       71.99516 39.67431 9.050352 31.00465 9.041016 8.669666       12.79253 
1 1 1 -43 23 9  o 60.97152 4.375112 474.6027       64.47492 484.0285       93.60896 466.0950       88.93325 61.49149 6.292166 60.45154 6.080712 1.039948       8.750223 
1 1 1 -43 23 10 o 55.50243 4.827147 403.1476       64.17343 463.4599       90.68040 342.6367       90.82965 60.00475 6.246338 51.00011 7.361294 9.004631       9.654294 
1 1 1 -43 23 11 o 43.40245 6.004223 263.1298       61.66258 231.7155       87.89200 293.5794       86.53203 40.04031 9.257877 46.76459 7.648169 -6.724281      12.00845 
1 1 1 -43 23 12 o 45.65941 5.690093 291.9789       61.08857 261.6552       87.35222 321.0053       85.46332 42.53814 8.778896 48.78067 7.241519 -6.242535      11.38019 
1 1 1 -43 23 13 o 62.93586 4.494290 528.9768       67.97733 455.2131       94.00733 609.8161       98.41285 58.01067 6.698099 67.86104 5.994169 -9.850365      8.988581 
1 1 1 -43 23 14 o 17.63582 5.839069 -41.31149      63.01616 -13.44545      85.54144 -74.37998      93.18500 18.46676 8.463914 16.80488 8.046184 1.661877       11.67814 
1 1 1 -43 25 8  o 35.16155 9.571051 195.0556       107.8760 155.8596       129.7778 282.6889       194.0500 31.75453 12.12971 38.56857 14.80845 -6.814035      19.14210 
1 1 1 -43 25 9  o 19.03968 6.668627 -195.5536      102.0517 -143.9619      117.2246 -357.0494      207.4003 17.65969 8.592593 20.41968 10.20047 -2.759989      13.33725 
1 1 1 -43 25 10 o 30.59803 9.060416 133.8764       103.6290 88.37597       123.1102 244.4973       191.9575 26.52808 11.19473 34.66797 14.24930 -8.139885      18.12083 
1 1 1 -43 25 11 o 35.42447 9.746331 249.1603       110.0413 209.0422       128.2002 361.4515       214.4824 33.18971 12.18207 37.65923 15.21713 -4.469524      19.49266 
1 1 1 -42 0  1  o 191.2485 2.940778 4433.462       192.2267 4433.462       192.2267 4433.462       192.2267 191.2485 4.158888 191.2485 4.158888 0.000000       0.000000 
1 1 1 -42 0  2  o 203.5721 3.054758 5023.038       212.5548 5023.038       212.5548 5023.038       212.5548 203.5721 4.320081 203.5721 4.320081 0.000000       0.000000 
1 1 1 -42 0  3  o 381.3112 4.937786 17634.69       643.7254 17634.69       643.7254 17634.69       643.7254 381.3112 6.983084 381.3112 6.983084 0.000000       0.000000 
1 1 1 -42 0  4  o 18.09942 6.200064 58.40261       44.82363 58.40261       44.82363 58.40261       44.82363 18.09942 8.768214 18.09942 8.768214 0.000000       0.000000 
1 1 1 -42 0  5  o 302.6884 4.052588 11107.44       419.3669 11107.44       419.3669 11107.44       419.3669 302.6884 5.731225 302.6884 5.731225 0.000000       0.000000 
1 1 1 -42 0  6  o 244.1061 3.442330 7222.861       287.2491 7222.861       287.2491 7222.861       287.2491 244.1061 4.868190 244.1061 4.868190 0.000000       0.000000 
1 1 1 -42 0  7  o 59.35101 2.643858 431.3853       53.20034 431.3853       53.20034 431.3853       53.20034 59.35101 3.738980 59.35101 3.738980 0.000000       0.000000 
1 1 1 -42 0  8  o 77.13940 3.582702 729.8037       93.62340 729.8037       93.62340 729.8037       93.62340 77.13940 5.066706 77.13940 5.066706 0.000000       0.000000 
1 1 1 -42 0  9  o 18.35136 5.914677 59.32790       40.31878 59.32790       40.31878 59.32790       40.31878 18.35136 8.364616 18.35136 8.364616 0.000000       0.000000 
1 1 1 -42 0  10 o 20.48232 5.974089 71.31088       41.50175 71.31088       41.50175 71.31088       41.50175 20.48232 8.448638 20.48232 8.448638 0.000000       0.000000 
1 1 1 -42 0  11 o 182.9160 2.850481 4056.552       178.2012 4056.552       178.2012 4056.552       178.2012 182.9160 4.031188 182.9160 4.031188 0.000000       0.000000 
1 1 1 -42 0  12 o 9.517013 4.534894 -19.17855      42.56134 -19.17855      42.56134 -19.17855      42.56134 9.517013 6.413309 9.517013 6.413309 0.000000       0.000000 
1 1 1 -42 0  13 o 27.28631 5.734838 111.2638       46.59058 111.2638       46.59058 111.2638       46.59058 27.28631 8.110286 27.28631 8.110286 0.000000       0.000000 
1 1 1 -42 0  14 o 13.34062 5.544220 24.92606       42.84112 24.92606       42.84112 24.92606       42.84112 13.34062 7.840712 13.34062 7.840712 0.000000       0.000000 
1 1 1 -42 0  15 o 96.94133 2.436071 1142.832       80.56947 1142.832       80.56947 1142.832       80.56947 96.94133 3.445125 96.94133 3.445125 0.000000       0.000000 
1 1 1 -42 0  16 o 97.16174 2.441445 1148.779       80.93082 1148.779       80.93082 1148.779       80.93082 97.16174 3.452724 97.16174 3.452724 0.000000       0.000000 
1 1 1 -42 0  17 o 23.00504 6.094817 87.26469       44.77329 87.26469       44.77329 87.26469       44.77329 23.00504 8.619373 23.00504 8.619373 0.000000       0.000000 
1 1 1 -42 0  18 o 29.19021 5.252136 122.4620       45.35204 122.4620       45.35204 122.4620       45.35204 29.19021 7.427642 29.19021 7.427642 0.000000       0.000000 
1 1 1 -42 0  19 o 23.88881 6.235713 94.37004       47.22318 94.37004       47.22318 94.37004       47.22318 23.88881 8.818629 23.88881 8.818629 0.000000       0.000000 
1 1 1 -42 0  20 o 9.739465 4.468883 -1.024681      35.48586 -1.024681      35.48586 -1.024681      35.48586 9.739465 6.319954 9.739465 6.319954 0.000000       0.000000 
1 1 1 -42 2  1  o 200.1678 3.484431 4848.426       145.8255 4841.793       168.1672 4868.531       292.7909 199.9781 3.475814 200.3575 6.040177 -0.3794403     6.968861 
1 1 1 -42 2  2  o 143.2339 2.973671 2507.008       89.27957 2529.736       103.3589 2440.214       177.1892 144.5679 2.955112 141.9000 5.161221 2.667847       5.947342 
1 1 1 -42 2  3  o 166.9671 3.149947 3463.566       112.1331 3566.675       131.7212 3192.148       213.7115 171.6517 3.171796 162.2825 5.443196 9.369278       6.299895 
1 1 1 -42 2  4  o 369.5121 5.483197 16941.30       438.3960 17410.68       519.2553 15776.32       818.0477 378.9660 5.663415 360.0583 9.390821 18.90768       10.96639 
1 1 1 -42 2  5  o 231.3104 3.851574 6260.450       179.6816 6087.285       202.6503 6897.085       388.5641 224.2157 3.735760 238.4052 6.736661 -14.18945      7.703149 
1 1 1 -42 2  6  o 341.8798 5.155439 14386.93       376.2671 14613.52       440.7032 13777.51       722.7272 347.2271 5.246024 336.5325 8.876567 10.69458       10.31088 
1 1 1 -42 2  7  o 278.1210 4.345970 9521.897       258.1127 9683.968       302.4490 9087.448       495.1877 282.7305 4.421577 273.5115 7.483279 9.218964       8.691939 
1 1 1 -42 2  8  o 65.30717 3.163291 492.1136       48.18112 431.1578       59.33475 610.1130       82.55468 59.66116 4.110693 70.95317 4.809143 -11.29201      6.326583 
1 1 1 -42 2  9  o 208.9130 3.546684 5370.029       157.4779 5459.832       184.0202 5124.331       304.3838 212.3334 3.582158 205.4926 6.122419 6.840790       7.093368 
1 1 1 -42 2  10 o 268.4690 4.236566 8901.176       243.5746 9086.013       286.1733 8415.229       464.0109 273.8280 4.319654 263.1100 7.289344 10.71802       8.473131 
1 1 1 -42 2  11 o 77.72026 2.954151 734.0931       48.07234 736.2054       55.53610 727.7811       96.00512 77.97827 2.943740 77.46224 5.122736 0.5160294      5.908302 
1 1 1 -42 2  12 o 124.8996 2.463963 1888.682       74.42995 1823.274       103.9463 1957.504       106.6245 122.6809 3.502109 127.1184 3.466942 -4.437500      4.927926 
1 1 1 -42 2  13 o 117.4017 2.438552 1670.051       69.26006 1649.889       97.33183 1690.734       98.57708 116.6840 3.447795 118.1193 3.449472 -1.435387      4.877104 
1 1 1 -42 2  14 o 38.63175 3.891073 186.8735       34.77643 148.6638       49.84163 223.1233       48.54653 34.40842 6.215984 42.85509 4.682238 -8.446667      7.782147 
1 1 1 -42 2  15 o 41.57444 3.835820 218.4052       35.83371 144.5682       50.15751 295.3793       51.21198 33.85399 6.357294 49.29489 4.294052 -15.44090      7.671641 
1 1 1 -42 2  16 o 66.12428 3.918910 531.9692       62.69438 0.000000       0.000000 531.9692       62.69438 ?        ?        66.12428 3.918910 ?              ?        
1 1 1 -42 2  17 o 107.2467 2.381087 1398.082       61.75051 1443.802       89.06438 1355.760       85.69013 108.9313 3.379473 105.5622 3.355213 3.369125       4.762174 
1 1 1 -42 2  18 o 12.85079 4.122420 -28.66774      28.73353 -54.74585      40.99249 -3.479049      40.28738 11.20739 5.358210 14.49418 6.266337 -3.286783      8.244841 
1 1 1 -42 2  19 o 22.04874 5.113755 59.73967       31.49961 59.68110       44.58242 59.79805       44.51203 22.04304 7.235027 22.05445 7.228855 -0.1140404E-01 10.22751 
1 1 1 -42 2  20 o 27.10739 4.227677 99.13327       28.11069 54.80281       41.58404 136.4385       38.14699 21.06056 6.991126 33.15422 4.755751 -12.09366      8.455354 
1 1 1 -42 4  1  o 124.7103 2.939684 1928.306       76.87215 1975.496       89.37733 1794.170       150.6854 127.7522 2.891722 121.6684 5.119072 6.083885       5.879367 
1 1 1 -42 4  2  o 190.9061 3.409459 4386.040       135.1577 4357.857       155.1556 4474.717       275.2216 189.7240 3.380203 192.0882 5.922152 -2.364136      6.818919 
1 1 1 -42 4  3  o 64.61489 3.404456 548.0344       43.66093 585.5095       50.21916 432.0048       88.36546 69.54942 2.984514 59.68036 6.119963 9.869064       6.808911 
1 1 1 -42 4  4  o 184.8889 3.311940 4243.039       131.0256 4366.387       154.1995 3922.665       248.5110 189.9113 3.356062 179.8666 5.710747 10.04469       6.623880 
1 1 1 -42 4  5  o 256.6227 4.134934 7918.689       220.1802 7855.765       252.5886 8117.787       449.3030 254.6793 4.099376 258.5662 7.182328 -3.886963      8.269868 
1 1 1 -42 4  6  o 171.1765 3.191766 3618.711       116.1610 3697.670       135.9465 3405.116       223.5950 174.7673 3.215182 167.5856 5.514715 7.181732       6.383532 
1 1 1 -42 4  7  o 52.00790 3.659634 359.9195       37.63821 388.9190       43.40275 271.9810       75.58078 56.67922 3.165126 47.33657 6.599519 9.342651       7.319267 
1 1 1 -42 4  8  o 107.3933 3.008971 1420.838       74.01030 1474.713       91.96807 1321.832       124.6744 110.3585 3.444522 104.4282 4.934662 5.930336       6.017941 
1 1 1 -42 4  9  o 164.3660 3.141256 3260.710       107.2795 3248.373       123.2687 3299.227       217.8089 163.7998 3.110548 164.9323 5.458428 -1.132477      6.282512 
1 1 1 -42 4  10 o 341.7468 5.195062 14239.92       372.8167 14279.72       431.4191 14122.55       740.8759 343.1323 5.196793 340.3612 8.997111 2.771118       10.39012 
1 1 1 -42 4  11 o 43.19437 4.202713 187.0151       37.96323 154.1693       42.62885 312.9090       83.45760 35.65340 4.941974 50.73534 6.799125 -15.08194      8.405427 
1 1 1 -42 4  12 o 76.49855 3.172312 718.2327       49.09547 725.4377       55.94923 694.1107       102.3727 77.39639 2.987935 75.60072 5.597008 1.795662       6.344624 
1 1 1 -42 4  13 o 133.5547 3.007792 2104.714       81.85677 2056.110       92.81629 2274.836       173.6481 130.2815 2.944688 136.8279 5.245575 -6.546387      6.015584 
1 1 1 -42 4  14 o 35.86936 5.217460 167.4010       36.78416 172.9096       41.44019 146.9364       79.87371 37.72493 4.540366 34.01378 9.395350 3.711151       10.43492 
1 1 1 -42 4  15 o 147.1461 2.603126 2626.623       92.61919 2743.506       133.3970 2517.833       128.6961 150.3053 3.668339 143.9868 3.694368 6.318481       5.206253 
1 1 1 -42 4  16 o 46.15594 3.567811 265.9614       38.76149 329.5952       54.15915 199.1389       55.49949 52.00270 4.304708 40.30917 5.690923 11.69353       7.135623 
1 1 1 -42 4  17 f 113.4478 2.867579 1515.203       74.06706 1734.682       132.5450 1415.548       89.31299 119.0646 4.601278 107.8310 3.423488 11.23358       5.735157 
1 1 1 -42 4  18 o 70.22006 2.576693 598.3719       43.51706 697.5074       64.07751 513.5075       59.28620 75.61021 3.502861 64.82993 3.779861 10.78028       5.153386 
1 1 1 -42 4  19 f 44.60232 3.330549 245.5069       35.92338 255.7897       51.17991 235.5214       50.43494 45.53480 4.645729 43.66984 4.773617 1.864956       6.661098 
1 1 1 -42 4  20 f 20.39489 4.002213 19.18409       28.74099 120.2777       44.10659 -55.41996      37.88984 30.33168 6.219211 10.45811 5.039072 19.87356       8.004425 
1 1 1 -42 6  1  o 234.3423 3.895012 6679.126       191.2444 6699.422       221.0315 6618.680       381.4480 235.1931 3.884429 233.4915 6.752459 1.701614       7.790025 
1 1 1 -42 6  2  o 233.7217 3.884240 6551.420       187.8395 6485.688       215.0908 6762.642       385.5675 231.4169 3.841709 236.0265 6.752077 -4.609558      7.768479 
1 1 1 -42 6  3  o 177.1875 3.305795 3720.447       119.8687 3649.771       136.2858 3961.927       251.9169 173.6291 3.244336 180.7459 5.760852 -7.116776      6.611590 
1 1 1 -42 6  4  o 194.1831 3.441821 4704.787       143.2851 4873.983       169.1447 4274.836       269.6326 200.6338 3.484591 187.7323 5.936509 12.90154       6.883641 
1 1 1 -42 6  5  o 120.6372 2.974218 1823.967       74.82136 1888.162       87.01663 1641.880       146.5520 124.8946 2.879760 116.3799 5.204890 8.514694       5.948436 
1 1 1 -42 6  6  o 112.1953 2.939493 1537.790       67.71320 1549.540       77.60149 1500.297       138.6207 113.1425 2.834928 111.2481 5.150307 1.894386       5.878986 
1 1 1 -42 6  7  o 92.46326 2.926035 1035.940       55.35205 1036.159       63.21661 1035.217       114.5889 92.51945 2.824203 92.40708 5.125485 0.1123657      5.852070 
1 1 1 -42 6  8  o 121.8507 3.090336 1808.724       85.72771 1828.005       105.0907 1770.375       148.2140 122.8615 3.535461 120.8399 5.069636 2.021652       6.180671 
1 1 1 -42 6  9  o 109.9532 2.873552 1404.900       63.97935 1358.379       72.18869 1575.253       138.1393 105.9280 2.816799 113.9784 5.009476 -8.050385      5.747104 
1 1 1 -42 6  10 o 172.3977 3.261672 3596.054       116.5380 3589.417       133.8141 3616.895       237.1216 172.1656 3.212575 172.6298 5.677446 -0.4642639     6.523345 
1 1 1 -42 6  11 o 324.2747 4.972997 12937.72       342.3722 13098.63       399.4892 12492.56       664.4453 328.5738 5.025390 319.9755 8.583021 8.598297       9.945993 
1 1 1 -42 6  12 o 214.6514 3.718562 5531.573       163.4921 5476.083       186.3752 5716.835       340.5458 212.5647 3.624054 216.7380 6.494386 -4.173325      7.437124 
1 1 1 -42 6  13 o 57.89039 4.238139 450.5887       44.44976 476.3114       49.56522 344.9138       100.4629 62.68671 3.268130 53.09407 7.820909 9.592636       8.476277 
1 1 1 -42 6  14 o 145.2158 3.100843 2562.050       92.25275 2561.468       105.4335 2563.950       190.5458 145.3584 2.998032 145.0731 5.428879 0.2852631      6.201687 
1 1 1 -42 6  15 o 92.82278 3.067296 971.4057       55.37527 923.2857       61.35317 1182.867       128.6146 87.24041 2.906812 98.40516 5.402191 -11.16475      6.134593 
1 1 1 -42 6  16 o 49.77332 4.352485 268.9695       41.58675 248.5953       45.68377 367.5193       100.4730 45.15139 4.182043 54.39526 7.634594 -9.243877      8.704970 
1 1 1 -42 6  17 o 63.77579 2.767632 497.6321       42.60595 467.4567       60.94725 526.4724       59.58372 61.85680 4.072531 65.69479 3.748818 -3.837994      5.535264 
1 1 1 -42 6  18 o 40.62423 3.643720 203.9651       35.75350 197.7455       51.54255 209.7334       49.63742 39.99884 5.326183 41.24961 4.973785 -1.250771      7.287439 
1 1 1 -42 6  19 o 14.76511 4.506270 -1.751846      29.38064 -9.810850      44.13063 4.664058       39.37571 14.55899 6.420125 14.97122 6.325177 -0.4122286     9.012540 
1 1 1 -42 6  20 o 53.25703 2.952116 351.2094       38.01058 344.5106       54.44544 357.5790       53.09034 52.73444 4.267415 53.77961 4.080332 -1.045170      5.904231 
1 1 1 -42 8  1  o 291.7106 4.552164 10548.98       285.3574 10821.40       336.4057 9850.090       538.8273 298.8148 4.653276 284.6064 7.825330 14.20840       9.104327 
1 1 1 -42 8  2  o 149.5853 3.157743 2706.290       97.73637 2701.635       112.1402 2721.000       199.3410 149.3830 3.102828 149.7875 5.500710 -0.4045105     6.315485 
1 1 1 -42 8  3  o 96.73468 3.166640 1155.446       61.51477 1173.190       69.98724 1095.182       128.9814 98.44452 2.938495 95.02484 5.610319 3.419678       6.333280 
1 1 1 -42 8  4  o 279.7872 4.429003 9579.529       261.4828 9663.802       303.7729 9338.489       513.7487 282.4094 4.445981 277.1651 7.661430 5.244232       8.858006 
1 1 1 -42 8  5  o 132.8846 3.081010 2130.831       83.66435 2123.306       95.41474 2155.860       174.0233 132.4362 2.977875 133.3331 5.394696 -0.8969116     6.162020 
1 1 1 -42 8  6  o 435.2577 6.428762 23313.92       593.9551 23573.56       692.7927 22593.70       1153.849 440.6366 6.498609 429.8788 11.09432 10.75778       12.85752 
1 1 1 -42 8  7  o 46.80739 4.982030 277.6983       49.41110 288.2508       59.09612 253.1826       90.07491 48.75859 5.009629 44.85619 8.613137 3.902397       9.964061 
1 1 1 -42 8  8  o 162.4733 3.422304 3211.966       126.2275 3233.997       154.1691 3167.162       219.8566 163.3859 3.900144 161.5607 5.624726 1.825150       6.844609 
1 1 1 -42 8  9  o 61.01530 3.759188 417.0835       44.53674 395.8791       49.29709 511.2433       103.8821 57.16870 3.564189 64.86192 6.619859 -7.693218      7.518376 
1 1 1 -42 8  10 o 58.51016 3.952435 384.8430       44.53065 366.5530       49.18805 467.9358       104.8417 55.00270 3.696352 62.01762 6.987414 -7.014923      7.904870 
1 1 1 -42 8  11 o 171.3765 3.350066 3500.639       116.1236 3449.926       131.5235 3679.952       247.3133 168.7546 3.221407 173.9985 5.874889 -5.243866      6.700133 
1 1 1 -42 8  12 o 115.0986 3.202878 1641.633       73.13105 1667.482       82.83256 1550.268       155.7298 117.3182 2.918324 112.8791 5.702377 4.439117       6.405756 
1 1 1 -42 8  13 o 81.10115 3.496079 785.2626       52.66272 777.1372       58.01287 823.3195       125.5506 80.07104 2.994654 82.13126 6.318411 -2.060211      6.992158 
1 1 1 -42 8  14 o 127.1746 3.080329 1830.702       76.34310 1744.565       84.68076 2204.640       176.4361 119.9380 2.918271 134.4112 5.425623 -14.47319      6.160657 
1 1 1 -42 8  15 o 48.91376 5.564163 351.2457       43.49313 373.7401       47.53837 235.6930       107.7449 55.44228 3.544059 42.38525 10.54890 13.05703       11.12833 
1 1 1 -42 8  16 o 84.85971 3.380072 837.1824       54.60881 810.9872       60.32988 955.9786       128.4765 81.67521 3.053092 88.04421 6.031433 -6.369003      6.760144 
1 1 1 -42 8  17 o 61.87021 5.071021 589.1339       49.77065 647.0676       55.28609 341.4634       114.3108 72.89496 3.134845 50.84546 9.645401 22.04950       10.14204 
1 1 1 -42 8  18 o 58.87227 4.047965 448.0781       45.79036 460.2412       51.53919 402.4985       99.76992 61.36045 3.471736 56.38408 7.313763 4.976376       8.095929 
1 1 1 -42 8  19 o 47.24173 3.449810 265.7487       38.41538 369.2288       61.15528 198.3041       49.37182 54.58500 4.630825 39.89847 5.114706 14.68653       6.899620 
1 1 1 -42 8  20 o 45.02331 3.968517 239.0192       41.68952 347.6502       70.07485 179.5065       51.86692 52.42677 5.524675 37.61985 5.698637 14.80692       7.937034 
1 1 1 -42 10 1  o 60.05133 3.231223 439.0430       46.54449 421.0124       69.74393 453.5218       62.49823 58.92590 4.892129 61.17677 4.222590 -2.250870      6.462445 
1 1 1 -42 10 2  o 232.4268 3.364243 6548.999       189.1777 6522.029       266.6808 6576.318       268.4028 231.9457 4.752293 232.9079 4.763218 -0.9622192     6.728487 
1 1 1 -42 10 3  o 331.9167 4.404341 13375.49       353.6724 13307.59       497.9812 13444.60       502.3845 331.0690 6.217160 332.7645 6.240177 -1.695465      8.808682 
1 1 1 -42 10 4  o 198.2726 4.312469 4763.931       206.8669 4763.931       206.8669 0.000000       0.000000 198.2726 4.312469 ?        ?        ?              ?        
1 1 1 -42 10 5  f 40.19539 4.230004 196.3570       41.08363 189.3305       58.87871 203.0241       57.35338 39.48951 6.162745 40.90126 5.795888 -1.411747      8.460008 
1 1 1 -42 10 6  o 177.1666 4.094454 3803.245       175.5013 0.000000       0.000000 3803.245       175.5013 ?        ?        177.1666 4.094454 ?              ?        
1 1 1 -42 10 7  o 32.03393 4.863001 126.8445       37.67278 177.4647       55.02980 82.19535       51.68234 38.23178 5.949371 25.83607 7.694161 12.39571       9.726003 
1 1 1 -42 10 8  o 96.12716 2.595669 1115.702       60.24885 1215.598       87.93935 1027.333       82.71034 100.1703 3.628625 92.08406 3.712556 8.086197       5.191339 
1 1 1 -42 10 9  o 59.38920 3.154951 425.8398       45.20773 472.1602       66.25539 385.4879       61.83955 62.40017 4.388672 56.37822 4.533699 6.021946       6.309902 
1 1 1 -42 10 10 o 263.7706 3.678051 8449.443       234.7110 8504.593       333.5077 8395.324       330.3774 264.6217 5.209284 262.9194 5.193802 1.702362       7.356101 
1 1 1 -42 10 11 o 187.8517 2.965915 4282.511       134.7934 4317.914       190.8948 4247.306       190.3595 188.6277 4.182986 187.0758 4.205858 1.551895       5.931830 
1 1 1 -42 10 12 o 233.9194 3.376894 6652.979       191.1090 6693.220       270.9567 6613.144       269.5864 234.6238 4.773375 233.2150 4.777924 1.408859       6.753789 
1 1 1 -42 10 13 o 58.31272 3.229336 415.4500       45.30592 366.1789       64.19608 464.3428       63.94914 54.83303 4.839092 61.79241 4.277572 -6.959373      6.458671 
1 1 1 -42 10 14 o 100.1297 3.432618 1177.284       73.68031 1126.744       85.32962 1325.402       146.0794 96.26138 3.663915 103.9981 5.805789 -7.736687      6.865236 
1 1 1 -42 10 15 o 26.50276 6.134907 14.24026       38.60810 -16.46830      41.61790 203.8073       103.4027 13.73683 6.135497 39.26870 10.62563 -25.53187      12.26981 
1 1 1 -42 10 16 o 26.46919 5.003011 107.4659       41.96088 154.1506       45.47539 -160.0238      108.8535 35.38278 5.312295 17.55560 8.479386 17.82718       10.00602 
1 1 1 -42 10 17 o 85.47203 3.589254 854.2056       57.37853 827.9960       63.08836 979.6550       138.0235 82.40487 3.164420 88.53919 6.443402 -6.134323      7.178508 
1 1 1 -42 10 18 o 98.62275 3.576739 1211.325       76.70719 1216.592       90.70177 1198.096       143.7417 99.56315 3.765432 97.68235 6.082250 1.880798       7.153478 
1 1 1 -42 10 19 o 51.96791 4.155842 334.1867       52.25124 334.1867       52.25124 0.000000       0.000000 51.96791 4.155842 ?        ?        ?              ?        
1 1 1 -42 10 20 o 55.13311 5.234118 385.5049       69.81655 385.5049       69.81655 0.000000       0.000000 55.13311 5.234118 ?        ?        ?              ?        
1 1 1 -42 12 1  o 236.3772 3.425157 6777.408       195.8730 6830.732       278.3497 6725.101       275.6821 237.2976 4.848364 235.4568 4.839438 1.840759       6.850314 
1 1 1 -42 12 2  o 92.40989 2.784382 1031.746       62.15577 964.4230       85.35336 1107.755       90.69247 89.20937 3.954648 95.61041 3.920701 -6.401047      5.568764 
1 1 1 -42 12 3  o 202.4865 3.127264 4956.975       152.9752 5233.456       223.8484 4714.712       209.5389 207.7663 4.453245 197.2067 4.391781 10.55960       6.254529 
1 1 1 -42 12 4  o 226.6014 3.335894 6224.596       182.8390 6337.446       262.1848 6117.757       255.1071 228.5972 4.740611 224.6056 4.694611 3.991623       6.671789 
1 1 1 -42 12 5  o 247.1110 3.530264 7406.923       211.0398 7504.546       300.8479 7312.346       296.1190 248.7128 4.999731 245.5092 4.985355 3.203522       7.060529 
1 1 1 -42 12 6  o 252.2477 3.572411 7710.318       217.8277 7970.227       316.2253 7475.638       300.4866 256.2799 5.100113 248.2155 5.003730 8.064407       7.144821 
1 1 1 -42 12 7  o 182.1473 2.960963 4021.813       130.4685 3969.501       182.7829 4076.150       186.2878 180.9413 4.175375 183.3534 4.199457 -2.412140      5.921925 
1 1 1 -42 12 8  o 63.74106 3.303029 493.9025       50.65964 430.1225       70.94476 560.2587       72.36339 59.52369 4.926383 67.95843 4.401222 -8.434734      6.606058 
1 1 1 -42 12 9  o 132.4338 2.677726 2121.106       85.66502 2024.078       117.2553 2232.183       125.4574 129.1973 3.751256 135.6703 3.822164 -6.472992      5.355452 
1 1 1 -42 12 10 o 84.83605 2.746015 872.7156       56.32738 830.6803       78.65750 916.9619       80.69965 82.73750 3.929483 86.93460 3.836867 -4.197098      5.492029 
1 1 1 -42 12 11 o 18.35253 5.292047 15.53500       37.01289 19.60779       54.22122 11.98112       50.64940 18.95836 7.654399 17.74669 7.309802 1.211666       10.58409 
1 1 1 -42 12 12 o 33.61957 4.965394 145.9531       39.53903 107.9944       58.75291 177.3749       53.45507 29.14354 8.061208 38.09560 5.799783 -8.952065      9.930788 
1 1 1 -42 12 13 o 37.86362 4.382163 174.6615       39.87790 188.0224       60.72536 164.5309       52.87737 39.10584 6.418390 36.62139 5.968054 2.484455       8.764325 
1 1 1 -42 12 14 o 67.34187 3.071437 551.1089       49.91255 593.2529       73.86784 515.7008       67.70776 69.69402 4.380842 64.98973 4.306172 4.704292       6.142873 
1 1 1 -42 12 15 o 68.07567 3.042085 569.1459       49.88444 513.9493       71.07880 622.7218       70.02744 64.76773 4.536063 71.38360 4.054782 -6.615868      6.084170 
1 1 1 -42 12 16 o 18.58037 5.062582 18.54808       36.84475 -48.95875      59.48597 60.56596       46.93078 14.80441 6.881478 22.35632 7.427261 -7.551908      10.12516 
1 1 1 -42 12 17 o 50.95652 6.367418 379.9186       63.52623 416.5065       73.71818 274.3605       125.2137 57.90126 5.262405 44.01178 11.59669 13.88948       12.73484 
1 1 1 -42 12 18 f 42.98195 6.256906 275.5493       49.61845 291.5407       54.88711 204.0452       116.0630 48.43653 4.683764 37.52737 11.60422 10.90916       12.51381 
1 1 1 -42 12 19 o 44.35764 6.315221 357.1417       53.75026 408.8718       59.70361 135.8715       123.4783 57.28623 4.307726 31.42906 11.87315 25.85717       12.63044 
1 1 1 -42 12 20 o 29.63151 8.600310 127.5666       65.28352 127.5666       65.28352 0.000000       0.000000 29.63151 8.600310 ?        ?        ?              ?        
1 1 1 -42 14 1  o 137.5043 2.719841 2290.017       90.42029 2404.705       130.3975 2183.798       125.4908 140.8179 3.827445 134.1907 3.865334 6.627182       5.439682 
1 1 1 -42 14 2  o 216.9178 3.283340 5708.449       172.2627 5855.016       247.1393 5569.951       240.2397 219.6231 4.651163 214.2125 4.635512 5.410660       6.566680 
1 1 1 -42 14 3  o 162.5469 2.878081 3197.144       113.0195 3074.606       154.8179 3336.957       165.3709 159.2252 4.018901 165.8686 4.120903 -6.643463      5.756163 
1 1 1 -42 14 4  o 383.9478 5.021028 17963.49       466.2145 18327.84       671.2176 17623.87       648.0466 387.6835 7.156220 380.2120 7.044954 7.471558       10.04206 
1 1 1 -42 14 6  o 89.42506 2.836576 971.6544       61.19287 1059.952       86.74707 884.1954       86.33399 93.48627 3.835347 85.36384 4.180282 8.122437       5.673151 
1 1 1 -42 14 7  o 137.9422 2.797552 2303.877       93.24877 2215.315       128.0447 2403.885       136.0680 135.1295 3.916601 140.7549 3.995677 -5.625397      5.595104 
1 1 1 -42 14 8  o 116.7338 4.003084 1653.143       111.0189 1626.413       143.4676 1693.040       175.2749 115.6323 5.128286 117.8352 6.148123 -2.202827      8.006168 
1 1 1 -42 14 9  o 106.0796 2.681396 1366.128       68.80640 1389.112       97.10157 1342.949       97.51362 106.9798 3.751650 105.1795 3.832056 1.800232       5.362791 
1 1 1 -42 14 10 o 16.01663 5.055240 -24.16007      40.21235 -40.37806      57.97157 -9.119941      55.82676 15.19794 6.966447 16.83533 7.327376 -1.637389      10.11048 
1 1 1 -42 14 11 o 63.29358 3.273186 488.9937       49.93218 436.8597       70.13609 542.5756       71.10339 59.84504 4.844077 66.74211 4.403399 -6.897068      6.546373 
1 1 1 -42 14 12 o 221.3102 3.311167 5979.630       177.2517 6100.154       253.9155 5865.073       247.5492 223.4783 4.696251 219.1421 4.669103 4.336258       6.622333 
1 1 1 -42 14 13 o 60.90083 3.377743 453.9373       49.69595 488.1965       71.16853 421.3360       69.42525 63.16049 4.657364 58.64117 4.893420 4.519318       6.755487 
1 1 1 -42 14 14 o 31.12306 5.280981 124.3319       45.36108 31.46186       65.60728 209.3869       62.78620 21.16775 8.464254 41.07838 6.317550 -19.91063      10.56196 
1 1 1 -42 14 15 o 73.81127 3.136747 669.3945       55.98362 642.4172       79.02311 696.5771       79.32333 72.29700 4.517847 75.32554 4.352676 -3.028534      6.273494 
1 1 1 -42 14 16 o 52.98521 3.817185 346.5362       48.68084 376.1913       73.53990 323.4057       64.94807 54.95036 5.531593 51.02007 5.261662 3.930286       7.634370 
1 1 1 -42 14 17 o 76.22787 3.140869 724.7913       57.49440 659.7418       83.88873 782.4131       78.95415 72.84696 4.759813 79.60879 4.099319 -6.761826      6.281738 
1 1 1 -42 14 18 o 35.01438 5.600649 165.3589       45.80667 186.6151       71.58355 150.6195       59.60887 36.77235 8.249244 33.25640 7.577537 3.515945       11.20130 
1 1 1 -42 14 19 o 27.72947 5.623981 109.8711       46.98484 17.35983       72.91460 175.5604       61.44186 19.81939 8.497822 35.63955 7.369104 -15.82016      11.24796 
1 1 1 -42 14 20 o 24.16714 10.52590 55.46698       115.3738 55.46698       115.3738 0.000000       0.000000 24.16714 10.52590 ?        ?        ?              ?        
1 1 1 -42 16 1  o 196.2541 3.110758 4678.945       147.6134 4603.181       204.6062 4761.185       213.1709 194.6098 4.345619 197.8984 4.452288 -3.288589      6.221517 
1 1 1 -42 16 2  o 201.4940 3.155067 4933.378       153.7832 5050.994       219.2637 4819.508       215.7435 203.8605 4.445609 199.1274 4.478209 4.733093       6.310134 
1 1 1 -42 16 3  f 48.11582 4.075325 284.1325       47.02930 243.3350       66.90950 323.9688       66.11654 44.65027 6.193860 51.58136 5.298037 -6.931091      8.150649 
1 1 1 -42 16 4  o 93.70580 2.822631 1064.791       63.93975 1008.177       88.78075 1125.800       92.16299 91.11822 4.027275 96.29337 3.956015 -5.175148      5.645263 
1 1 1 -42 16 5  o 174.5923 2.953960 3701.843       124.7224 3664.032       173.4883 3742.288       179.4299 173.6784 4.128782 175.5061 4.225716 -1.827728      5.907920 
1 1 1 -42 16 6  o 18.29179 5.444041 5.956388       40.65921 2.332031       62.39590 8.631152       53.60230 18.69090 7.933059 17.89268 7.457673 0.7982140      10.88808 
1 1 1 -42 16 7  o 72.58430 3.198187 639.5182       56.08802 685.5938       81.47505 598.0136       77.32819 75.06681 4.486156 70.10178 4.559387 4.965027       6.396374 
1 1 1 -42 16 8  o 110.3866 4.191711 1469.702       109.5893 1393.218       139.7360 1591.910       176.6335 106.8131 5.407312 113.9600 6.406462 -7.146896      8.383423 
1 1 1 -42 16 9  o 27.81467 6.013584 95.80379       44.09879 106.5971       65.80473 87.00510       59.41398 29.07417 8.687325 26.55517 8.317642 2.518997       12.02717 
1 1 1 -42 16 10 o 109.5571 2.776021 1461.890       73.55973 1465.914       102.8808 1457.682       105.2169 109.7207 3.875639 109.3935 3.975499 0.3272552      5.552042 
1 1 1 -42 16 11 f 129.7368 3.926861 2052.259       123.2568 2052.259       123.2568 0.000000       0.000000 129.7368 3.926861 ?        ?        ?              ?        
1 1 1 -42 16 12 o 65.96510 3.376569 532.5248       53.76934 549.3091       79.16691 518.1522       73.25893 66.90611 4.890751 65.02409 4.656761 1.882019       6.753138 
1 1 1 -42 16 13 o 78.23591 3.144998 746.5544       59.30844 842.5508       87.28742 664.2289       80.83349 82.90459 4.351819 73.56723 4.541555 9.337357       6.289996 
1 1 1 -42 16 14 o 58.26743 3.666489 419.3432       51.56266 429.7490       75.95559 410.4490       70.22261 58.90002 5.330181 57.63485 5.036044 1.265175       7.332978 
1 1 1 -42 16 15 o 20.44160 5.735534 14.92439       42.40374 76.44756       72.31773 -17.31063      52.34671 25.48936 9.180390 15.39384 6.877924 10.09553       11.47107 
1 1 1 -42 16 16 o 93.45744 2.995395 1083.085       67.56487 1020.497       96.86004 1142.400       94.29393 90.73329 4.412408 96.18159 4.052187 -5.448303      5.990790 
1 1 1 -42 16 17 o 54.47356 4.232283 382.1723       55.29225 338.0803       79.85944 422.7710       76.63056 51.19737 6.447276 57.74974 5.484660 -6.552364      8.464565 
1 1 1 -42 16 18 o 18.72856 5.734638 0.2443491      48.84628 40.23883       72.52773 -32.95496      66.07978 21.40987 8.774544 16.04726 7.385910 5.362612       11.46928 
1 1 1 -42 16 19 o 42.97814 7.189862 251.1278       68.68460 442.1178       132.1026 180.3688       80.40749 52.08301 10.83646 33.87327 9.452380 18.20974       14.37972 
1 1 1 -42 18 1  o 122.3557 2.791710 1822.102       82.62563 1774.260       115.8281 1871.671       117.9000 120.7173 3.965905 123.9940 3.930164 -3.276718      5.583421 
1 1 1 -42 18 2  o 101.2591 2.831131 1248.168       69.34344 1282.248       98.39972 1214.546       97.73653 102.6387 3.962601 99.87949 4.044625 2.759224       5.662261 
1 1 1 -42 18 3  o 49.79217 4.121352 301.6046       49.46341 336.3266       73.60476 273.0112       66.79381 52.38844 5.807219 47.19589 5.849648 5.192547       8.242704 
1 1 1 -42 18 4  o 40.54485 4.856936 204.1552       46.60365 219.9674       69.26843 191.0783       62.99268 42.26764 6.773685 38.82204 6.962506 3.445599       9.713872 
1 1 1 -42 18 5  o 113.1135 2.797961 1554.698       76.50170 1481.330       105.6658 1635.520       110.9037 110.3136 3.959161 115.9135 3.954666 -5.599922      5.595921 
1 1 1 -42 18 6  o 74.19486 3.098332 666.3201       55.33965 767.2053       81.97214 581.8347       75.01411 79.33158 4.270885 69.05814 4.489787 10.27344       6.196664 
1 1 1 -42 18 7  o 86.38036 3.105175 919.6521       64.00895 751.3868       90.95390 1084.761       90.09682 78.40085 4.795106 94.35988 3.946570 -15.95903      6.210351 
1 1 1 -42 18 8  o 89.14281 3.009680 970.1836       64.87760 963.8093       93.04796 976.2145       90.50639 88.84401 4.328888 89.44162 4.182513 -0.5976105     6.019360 
1 1 1 -42 18 9  o 62.69465 3.546025 484.2885       53.53861 445.1163       77.19161 520.6004       74.32007 60.18988 5.300836 65.19942 4.711509 -5.009544      7.092050 
1 1 1 -42 18 10 o 41.07919 4.958707 213.5253       48.09516 210.3296       70.30746 216.3361       65.93642 40.42029 7.464494 41.73810 6.529657 -1.317814      9.917414 
1 1 1 -42 18 11 o 76.22353 3.277170 711.9301       60.33797 771.0178       87.41221 658.1533       83.39128 79.25648 4.558637 73.19058 4.709373 6.065903       6.554339 
1 1 1 -42 18 12 o 33.14520 5.988152 146.4925       50.01952 93.02859       71.21671 198.5434       70.26937 27.31984 9.151083 38.97057 7.725899 -11.65073      11.97630 
1 1 1 -42 18 13 o 60.21262 3.883255 452.9972       56.15871 390.4286       79.17803 516.3378       79.66502 55.89636 5.854892 64.52887 5.102833 -8.632507      7.766509 
1 1 1 -42 18 14 o 59.19044 4.077535 446.3161       57.41925 390.1942       85.54715 492.3287       77.45999 55.51508 6.369308 62.86581 5.092847 -7.350723      8.155070 
1 1 1 -42 18 15 o 79.94720 3.305627 793.3690       63.78521 872.4077       93.35360 724.1591       87.35654 83.69924 4.610067 76.19516 4.738771 7.504082       6.611253 
1 1 1 -42 18 16 o 24.37707 6.586430 68.91360       54.45021 54.39138       79.39212 81.81119       74.81960 23.35121 9.320121 25.40293 9.309114 -2.051723      13.17286 
1 1 1 -42 18 17 f 16.35550 5.439311 -67.84091      56.44419 -117.1505      81.09036 -21.49527      78.61544 14.63515 7.126643 18.07586 8.219208 -3.440705      10.87862 
1 1 1 -42 18 18 o 57.78370 4.916873 461.1421       66.35267 329.2010       91.19643 609.5521       96.72073 47.98312 7.855739 67.58427 5.915230 -19.60115      9.833747 
1 1 1 -42 20 1  o 67.96739 3.533670 561.7856       57.78202 622.5376       87.55206 514.9044       76.91050 71.17230 5.084556 64.76247 4.908625 6.409828       7.067341 
1 1 1 -42 20 2  o 73.73628 3.249041 661.2365       57.62228 708.9407       87.34502 624.4763       76.67419 76.04295 4.747631 71.42963 4.436786 4.613319       6.498082 
1 1 1 -42 20 3  o 91.95474 3.009940 1030.383       66.84953 1109.584       97.72271 960.7214       91.64840 95.26883 4.239770 88.64065 4.273558 6.628181       6.019880 
1 1 1 -42 20 4  o 69.12520 3.419116 587.5711       56.92111 567.7065       83.74423 604.6291       77.60327 67.98501 5.091426 70.26538 4.564953 -2.280373      6.838232 
1 1 1 -42 20 5  o 95.01614 2.978214 1101.969       68.39675 1169.629       98.90614 1039.958       94.68697 97.81431 4.179444 92.21796 4.243971 5.596344       5.956429 
1 1 1 -42 20 6  f 156.4435 2.925328 2992.628       110.7191 2977.517       156.8880 3007.622       156.2746 156.0425 4.155704 156.8445 4.118288 -0.8019867     5.850656 
1 1 1 -42 20 7  o 41.34178 5.540354 233.7427       52.05178 155.9603       80.69879 289.1589       68.11531 34.33423 9.427299 48.34933 5.823070 -14.01510      11.08071 
1 1 1 -42 20 8  o 83.07066 3.257371 849.2100       65.31418 811.8613       94.22327 883.7556       90.61855 81.25754 4.792832 84.88379 4.412554 -3.626251      6.514743 
1 1 1 -42 20 9  o 48.42498 4.670032 298.3339       53.65546 257.3669       80.27948 331.4085       72.13312 45.17915 7.344533 51.67082 5.770149 -6.491676      9.340064 
1 1 1 -42 20 10 o 83.21896 3.185637 854.0795       64.00036 794.3129       90.82781 913.0175       90.19585 80.26591 4.677194 86.17200 4.326313 -5.906090      6.371274 
1 1 1 -42 20 11 o 89.71611 4.322474 991.8298       93.82208 0.000000       0.000000 991.8298       93.82208 ?        ?        89.71611 4.322474 ?              ?        
1 1 1 -42 20 12 o 61.43578 3.845713 464.3184       56.58367 567.2952       85.93003 385.4848       75.18491 67.41335 5.268619 55.45819 5.603542 11.95516       7.691426 
1 1 1 -42 20 13 o 47.75558 4.791455 290.9055       55.14022 315.3949       82.60401 271.2231       74.05471 49.50648 6.896627 46.00467 6.653473 3.501804       9.582911 
1 1 1 -42 20 14 f 72.55722 3.699253 663.6915       64.83855 683.3763       94.83472 646.4133       88.84882 73.50642 5.332609 71.60803 5.128468 1.898384       7.398507 
1 1 1 -42 20 15 o 35.82181 5.867632 185.9139       58.93628 314.0156       81.68067 46.78790       85.12284 48.69114 6.933733 22.95248 9.467828 25.73865       11.73526 
1 1 1 -42 20 16 o 27.08614 7.103199 106.8943       61.70364 98.09742       83.43269 117.5145       91.67239 26.21728 9.789265 27.95500 10.29525 -1.737719      14.20640 
1 1 1 -42 20 17 o 32.19190 7.117206 179.5597       63.35119 205.5066       82.43072 142.1209       99.01666 35.66449 9.414928 28.71931 10.67603 6.945171       14.23441 
1 1 1 -42 22 1  o 20.44826 5.926487 23.72563       47.08596 2.309581       72.95668 39.01460       61.64311 19.68115 8.470821 21.21537 8.290850 -1.534218      11.85297 
1 1 1 -42 22 2  o 32.41438 5.924339 126.0669       51.01839 233.1299       79.03387 49.58185       66.80085 42.12310 8.048613 22.70566 8.695458 19.41744       11.84868 
1 1 1 -42 22 3  o 58.57221 4.045958 423.9381       57.14818 468.6111       84.78330 386.7410       77.36467 61.38544 5.708771 55.75899 5.734896 5.626453       8.091915 
1 1 1 -42 22 4  o 41.73000 5.582661 245.4030       53.06346 136.5217       80.51776 328.9995       70.55199 32.01832 9.619199 51.44168 5.668810 -19.42336      11.16532 
1 1 1 -42 22 5  o 59.23938 4.058892 438.8990       57.75962 416.3961       85.53736 457.7596       78.30927 57.72087 6.125205 60.75788 5.327314 -3.037003      8.117784 
1 1 1 -42 22 6  o 71.75922 3.740242 637.0792       64.75298 615.3170       87.78021 663.0578       95.90767 70.46605 5.148899 73.05239 5.426460 -2.586342      7.480483 
1 1 1 -42 22 7  o 52.13633 4.492206 341.7455       56.13874 341.6978       85.26849 341.7820       74.58424 51.99667 6.778144 52.27600 5.897154 -0.2793312     8.984412 
1 1 1 -42 22 8  o 70.13593 3.500576 607.6403       59.26753 658.8677       87.21204 563.6798       80.78979 72.87186 4.946686 67.40000 4.954436 5.471855       7.001153 
1 1 1 -42 22 9  o 83.05739 3.328490 857.9855       66.57262 763.7537       94.04477 952.6318       94.25139 78.35998 4.960644 87.75481 4.439301 -9.394829      6.656980 
1 1 1 -42 22 10 o 83.84550 3.393272 875.8317       68.66391 867.7343       100.3904 882.9496       94.12312 83.39144 4.975865 84.29955 4.614968 -0.9081116     6.786543 
1 1 1 -42 22 11 o 15.99768 5.325181 -69.68725      52.24953 -41.28333      80.33684 -90.50980      68.78483 17.81046 8.177562 14.18491 6.823318 3.625552       10.65036 
1 1 1 -42 22 12 o 101.4660 3.206388 1288.081       78.66996 1341.409       111.7091 1235.609       110.8086 103.6069 4.456537 99.32514 4.611180 4.281776       6.412776 
1 1 1 -42 22 13 o 34.56145 6.702859 176.6813       59.10580 133.0374       83.75292 219.9836       83.42451 30.11082 9.918118 39.01207 9.019104 -8.901251      13.40572 
1 1 1 -42 22 14 o 41.75005 6.514764 256.1801       64.37955 194.0929       86.23042 334.3745       96.77145 35.47616 9.746783 48.02394 8.646895 -12.54778      13.02953 
1 1 1 -42 22 15 o 21.28614 6.555915 31.72996       63.37405 23.09656       89.58794 40.37745       89.66100 20.79305 9.159413 21.77923 9.382177 -0.9861889     13.11183 
1 1 1 -42 24 2  o 28.04333 8.290629 63.79100       91.70216 68.14991       114.7131 56.07377       152.6352 27.20861 11.07972 28.87805 12.33604 -1.669437      16.58126 
1 1 1 -42 24 3  o 59.82724 7.909026 520.5173       106.0635 554.1940       133.1242 461.9869       175.5027 64.72762 8.500904 54.92686 13.33962 9.800755       15.81805 
1 1 1 -42 24 4  o 51.78021 4.835260 338.6878       59.99625 383.7967       93.03111 306.5683       78.50216 54.59559 7.043172 48.96483 6.626666 5.630760       9.670521 
1 1 1 -42 24 5  o 50.43878 4.749030 326.5155       57.68016 321.9697       85.35235 330.3365       78.25333 49.96555 7.060615 50.91202 6.353020 -0.9464684     9.498060 
1 1 1 -42 24 6  o 61.09630 4.268292 478.3756       62.42471 430.5309       91.82030 519.4957       85.12332 57.97299 6.546524 64.21960 5.478714 -6.246613      8.536585 
1 1 1 -42 24 7  o 22.72617 6.016757 26.42551       55.48385 -97.28989      84.86516 118.7840       73.32563 16.09719 7.699763 29.35514 9.247656 -13.25795      12.03351 
1 1 1 -42 24 8  o 37.95410 6.338642 206.5009       57.92817 159.2471       85.26083 247.0167       78.94843 33.29168 9.875170 42.61652 7.949500 -9.324841      12.67728 
1 1 1 -42 24 9  o 66.04556 4.101343 557.6707       65.42046 603.4781       94.00143 514.6441       91.10361 68.76555 5.650167 63.32558 5.946400 5.439972       8.202686 
1 1 1 -42 24 10 o 49.21144 5.102383 322.0819       60.49183 361.0443       87.13127 285.8276       84.04871 52.28148 6.888487 46.14141 7.529010 6.140072       10.20477 
1 1 1 -42 24 11 f 34.43357 6.450624 174.0435       62.87246 59.07050       88.52361 291.0731       89.31182 23.75474 9.709959 45.11240 8.494639 -21.35766      12.90125 
1 1 1 -42 24 12 o 21.39846 6.441206 30.79018       59.74757 -3.841807      84.96249 64.67161       84.03677 19.32737 8.689447 23.46955 9.510521 -4.142187      12.88241 
1 1 1 -42 24 13 o 28.27550 7.107205 126.0234       62.95628 79.81909       85.40607 181.0059       93.16648 24.04692 9.642519 32.50409 10.44372 -8.457172      14.21441 
1 1 1 -41 1  1  o 83.42366 2.541398 842.7664       51.25082 887.3711       72.81056 798.9636       72.15313 85.61346 3.515200 81.23386 3.671266 4.379608       5.082797 
1 1 1 -41 1  2  o 29.26399 4.792010 108.0129       33.74309 76.81995       47.06452 141.0060       48.40351 24.95479 7.319393 33.57319 6.187077 -8.618401      9.584020 
1 1 1 -41 1  3  o 52.74323 2.889864 336.8593       36.87165 329.7315       51.98733 344.0740       52.30287 52.18140 4.117935 53.30505 4.055598 -1.123646      5.779728 
1 1 1 -41 1  4  o 134.2530 2.884885 2249.504       82.46841 2329.425       96.95921 2040.452       156.8143 138.7315 2.888762 129.7744 4.994526 8.957077       5.769769 
1 1 1 -41 1  5  o 165.5038 3.117456 3312.586       108.1810 3307.519       124.9232 3327.781       216.3275 165.3024 3.123645 165.7053 5.396015 -0.4028473     6.234912 
1 1 1 -41 1  6  o 158.0328 3.050907 3062.580       101.9570 3103.657       118.7075 2947.055       199.0741 160.1269 3.064160 155.9387 5.276652 4.188232       6.101814 
1 1 1 -41 1  7  o 182.7030 3.259625 4012.226       124.2995 3981.540       142.9984 4107.079       251.4164 181.3537 3.259137 184.0524 5.646118 -2.698685      6.519250 
1 1 1 -41 1  8  o 60.54853 5.176676 444.3784       75.83276 0.000000       0.000000 444.3784       75.83276 ?        ?        60.54853 5.176676 ?              ?        
1 1 1 -41 1  9  o 94.35281 2.746853 1122.599       54.42162 1172.215       63.67339 988.1024       104.8338 98.41077 2.674318 90.29485 4.798836 8.115929       5.493705 
1 1 1 -41 1  10 o 206.6399 3.047101 5164.750       152.1721 5362.280       221.5881 4988.450       209.3415 210.3692 4.353733 202.9106 4.264306 7.458633       6.094202 
1 1 1 -41 1  11 o 189.3691 2.899681 4344.146       132.8320 4396.769       189.7700 4293.598       185.9926 190.4920 4.117642 188.2463 4.083824 2.245728       5.799362 
1 1 1 -41 1  12 o 76.40669 2.501580 706.5703       46.03290 801.8474       66.40620 618.4357       63.86863 81.36562 3.373381 71.44778 3.694849 9.917839       5.003160 
1 1 1 -41 1  13 o 142.2476 2.550327 2451.289       87.75576 2394.776       123.0253 2509.831       125.2144 140.5781 3.617216 143.9170 3.596168 -3.338852      5.100655 
1 1 1 -41 1  14 o 103.7730 2.985067 1287.866       70.64680 1363.474       124.0312 1251.556       85.95237 105.9424 4.839036 101.6037 3.496602 4.338730       5.970133 
1 1 1 -41 1  15 o 33.95732 4.299175 144.4397       33.94636 104.4077       47.11605 187.6511       48.95132 28.65231 6.882952 39.26233 5.153308 -10.61001      8.598350 
1 1 1 -41 1  16 o 125.0281 2.436702 1897.467       73.68465 1847.375       102.7011 1950.606       105.7787 123.3292 3.441970 126.7270 3.450061 -3.397789      4.873405 
1 1 1 -41 1  17 o 77.50702 2.430272 728.6136       45.46309 803.5017       66.13538 661.5196       62.59930 81.28088 3.363126 73.73316 3.509169 7.547714       4.860544 
1 1 1 -41 1  18 o 20.14983 4.931017 45.45354       29.74686 58.44645       41.58939 31.84431       42.56437 21.82569 6.974103 18.47397 6.972919 3.351717       9.862034 
1 1 1 -41 1  19 o 61.45258 2.680291 462.7064       39.51743 542.5863       56.87721 388.1616       54.94502 66.63358 3.528116 56.27158 4.035868 10.36200       5.360581 
1 1 1 -41 1  20 o 51.48362 3.619323 325.2325       45.08153 325.2325       45.08153 0.000000       0.000000 51.48362 3.619323 ?        ?        ?              ?        
1 1 1 -41 3  1  o 86.73082 2.913406 957.9860       52.56575 1008.840       61.38054 818.0845       101.8070 91.29815 2.778858 82.16350 5.121492 9.134651       5.826812 
1 1 1 -41 3  2  o 185.1734 3.318692 4142.144       128.4787 4130.591       148.1043 4177.275       258.2708 184.7200 3.313993 185.6268 5.750854 -0.9068451     6.637384 
1 1 1 -41 3  3  o 377.3234 5.631805 17432.84       450.5177 17586.51       524.7161 17001.79       878.7894 380.8896 5.694071 373.7572 9.718358 7.132355       11.26361 
1 1 1 -41 3  4  o 251.0600 4.051011 7598.888       211.6990 7558.654       243.3749 7723.974       429.1303 249.8373 4.026393 252.2827 7.030712 -2.445404      8.102021 
1 1 1 -41 3  5  o 409.0040 6.055614 20468.02       523.5458 20611.47       608.5596 20059.49       1026.998 412.2690 6.101268 405.7390 10.46214 6.530060       12.11123 
1 1 1 -41 3  6  o 202.5842 3.495743 4971.088       148.1126 4969.198       170.8736 4976.800       297.0195 202.5929 3.486170 202.5755 6.060322 0.1734924E-01  6.991487 
1 1 1 -41 3  7  o 126.9984 2.820680 1978.774       75.53953 2006.050       87.82869 1901.249       148.0695 128.7387 2.819844 125.2582 4.886043 3.480476       5.641359 
1 1 1 -41 3  8  o 306.4944 4.997544 11516.72       354.1212 11792.93       443.0200 11027.96       589.3313 311.8151 5.872512 301.1738 8.087978 10.64124       9.995089 
1 1 1 -41 3  9  o 159.2117 3.047782 3043.473       101.1626 3017.104       116.2880 3125.520       205.1260 157.8676 3.044666 160.5558 5.280712 -2.688187      6.095565 
1 1 1 -41 3  10 o 214.8834 3.634823 5560.433       162.3763 5524.169       186.5070 5674.004       330.0596 213.5731 3.609493 216.1938 6.310255 -2.620667      7.269646 
1 1 1 -41 3  11 o 177.5775 3.257769 3861.646       121.7832 3902.862       141.3635 3743.010       239.8367 179.5267 3.254662 175.6283 5.644414 3.898468       6.515538 
1 1 1 -41 3  12 o 74.65607 3.036364 684.0264       47.16998 692.3163       54.46023 659.1314       94.37617 75.61326 2.977002 73.69889 5.292966 1.914368       6.072729 
1 1 1 -41 3  13 o 120.5373 2.905783 1724.853       71.56851 1693.876       81.33944 1831.053       150.6053 118.2654 2.842766 122.8091 5.068825 -4.543655      5.811567 
1 1 1 -41 3  14 o 196.5441 2.987910 4688.065       142.0685 4759.147       202.2784 4618.867       199.5791 198.0146 4.222309 195.0735 4.228773 2.941162       5.975819 
1 1 1 -41 3  15 o 116.9653 3.058855 1672.386       81.17897 1634.741       141.1736 1690.983       99.22469 115.8786 5.035562 118.0519 3.474116 -2.173325      6.117709 
1 1 1 -41 3  16 o 90.03407 2.450702 965.3940       52.50711 1251.856       80.11643 749.7059       69.51869 101.5333 3.261450 78.53483 3.658786 22.99849       4.901405 
1 1 1 -41 3  17 o 62.65041 2.631321 477.5541       39.78568 525.6500       57.29165 432.7562       55.29247 65.70706 3.603935 59.59376 3.834978 6.113300       5.262642 
1 1 1 -41 3  18 o 66.57650 2.560612 540.5317       41.23481 551.0638       59.10785 530.5463       57.55291 67.20583 3.635263 65.94717 3.607188 1.258667       5.121225 
1 1 1 -41 3  19 o 38.00323 3.827863 183.2343       33.26305 238.1215       47.87473 132.0105       46.24947 43.99030 4.498287 32.01616 6.194802 11.97414       7.655727 
1 1 1 -41 3  20 o 11.94012 3.781644 -16.98889      22.52097 1.252652       34.88577 -30.02313      29.48902 13.80666 5.897719 10.07358 4.735003 3.733079       7.563289 
1 1 1 -41 5  1  o 141.6682 3.014884 2446.269       88.96371 2461.221       102.5962 2400.952       178.6093 142.5939 2.973913 140.7425 5.245373 1.851334       6.029768 
1 1 1 -41 5  2  o 121.8713 2.918746 1859.255       74.71152 1925.554       87.20937 1676.383       144.8377 126.1296 2.857879 117.6130 5.090074 8.516609       5.837492 
1 1 1 -41 5  3  o 121.8092 2.846775 1806.666       72.40184 1816.359       83.57737 1777.514       144.9342 122.5024 2.819951 121.1160 4.946149 1.386475       5.693550 
1 1 1 -41 5  4  o 335.0362 5.085436 13766.28       361.6095 13920.59       421.6606 13337.30       703.0505 338.9160 5.142433 331.1564 8.775081 7.759613       10.17087 
1 1 1 -41 5  5  o 386.7139 5.805599 18085.79       467.3076 17998.01       537.3682 18358.12       946.5094 385.2674 5.765107 388.1604 10.07886 -2.892975      11.61120 
1 1 1 -41 5  6  o 146.6672 2.997140 2545.770       90.41671 2493.964       102.9984 2719.810       188.7839 143.5385 2.965921 149.7959 5.209099 -6.257416      5.994280 
1 1 1 -41 5  7  o 101.0181 2.752666 1175.024       57.20769 1124.341       64.85311 1352.766       121.4497 96.37925 2.781282 105.6569 4.751122 -9.277687      5.505332 
1 1 1 -41 5  8  o 135.8179 3.101245 2225.199       95.57664 2207.114       116.2431 2262.939       167.9200 135.0059 3.558870 136.6298 5.079895 -1.623856      6.202490 
1 1 1 -41 5  9  o 317.6781 4.889123 12236.56       324.2253 12215.03       373.6318 12302.20       652.4023 317.4438 4.864909 317.9125 8.482144 -0.4687195     9.778247 
1 1 1 -41 5  10 o 150.4524 3.072378 2787.287       96.50748 2832.077       111.7167 2655.562       191.5843 152.9425 3.019171 147.9623 5.351881 4.980164       6.144756 
1 1 1 -41 5  11 o 82.78524 3.115307 837.9131       51.76919 843.6992       58.76082 817.8466       109.4283 83.47668 2.909513 82.09380 5.509562 1.382874       6.230613 
1 1 1 -41 5  12 o 150.1165 3.108309 2678.673       95.02537 2634.151       107.8775 2832.838       200.7423 147.4820 3.023358 152.7509 5.431911 -5.268982      6.216619 
1 1 1 -41 5  13 o 118.4254 2.988141 1675.844       71.37966 1655.606       80.80042 1747.769       152.3232 116.9125 2.856605 119.9382 5.249358 -3.025703      5.976282 
1 1 1 -41 5  14 o 130.2673 2.955532 2075.221       80.07565 2089.795       92.31631 2030.934       160.9229 131.3204 2.905654 129.2142 5.147606 2.106140       5.911064 
1 1 1 -41 5  15 o 98.55729 2.820860 1177.700       67.26244 1177.700       67.26244 0.000000       0.000000 98.55729 2.820860 ?        ?        ?              ?        
1 1 1 -41 5  16 o 103.1662 2.442451 1291.781       60.88316 1202.093       84.49610 1388.626       87.80265 99.43900 3.512187 106.8934 3.395115 -7.454384      4.884902 
1 1 1 -41 5  17 o 69.00478 2.949843 545.9387       47.32852 715.7645       82.03365 461.2065       57.94481 76.51550 4.431394 61.49406 3.894745 15.02144       5.899686 
1 1 1 -41 5  18 o 12.85848 4.107241 -21.83103      27.56847 -36.25918      39.06132 -7.511127      38.91451 11.83403 5.525908 13.88293 6.077997 -2.048903      8.214481 
1 1 1 -41 5  19 o 30.49513 4.403750 120.5376       31.93577 81.53493       44.95189 160.2852       45.37914 25.03511 7.096372 35.95515 5.216663 -10.92004      8.807501 
1 1 1 -41 5  20 o 11.10399 3.691614 -35.62960      25.15099 -33.02554      37.82676 -37.69308      33.67236 11.68543 5.450260 10.52255 4.980634 1.162878       7.383227 
1 1 1 -41 7  1  o 248.7086 4.042190 7607.445       213.7840 7727.562       249.8360 7279.000       413.1280 252.5814 4.088381 244.8359 6.974406 7.745514       8.084380 
1 1 1 -41 7  2  o 163.5942 3.214178 3242.866       109.2607 3243.108       125.6680 3242.118       221.1579 163.6730 3.173549 163.5155 5.590380 0.1575165      6.428356 
1 1 1 -41 7  3  o 69.16011 3.562703 622.2727       48.62012 658.0775       55.61835 506.2463       100.1212 73.72965 3.117982 64.59057 6.406997 9.139084       7.125407 
1 1 1 -41 7  4  o 410.5719 6.146110 20329.29       521.4630 20165.05       597.1711 20856.63       1070.057 407.7159 6.053950 413.4279 10.69805 -5.711914      12.29222 
1 1 1 -41 7  5  o 56.85639 4.010246 442.9757       43.62523 484.9217       49.98409 308.8638       89.37589 63.28784 3.264444 50.42494 7.326097 12.86290       8.020493 
1 1 1 -41 7  6  o 236.5253 3.907018 6799.998       193.4484 6816.058       223.4417 6751.934       386.5509 237.2290 3.893086 235.8216 6.775179 1.407471       7.814037 
1 1 1 -41 7  7  o 173.6358 3.255524 3708.620       118.8410 3766.807       138.0343 3541.939       233.6235 176.3850 3.234620 170.8867 5.650750 5.498306       6.511048 
1 1 1 -41 7  8  o 147.9494 3.268126 2679.680       110.2807 2735.774       135.8091 2571.089       188.9598 150.2933 3.734969 145.6055 5.364009 4.687881       6.536252 
1 1 1 -41 7  9  o 142.8535 3.032921 2438.653       88.85588 2408.986       101.2838 2537.775       185.1357 141.0585 2.967826 144.6485 5.290223 -3.589951      6.065843 
1 1 1 -41 7  10 o 158.9183 3.187027 3138.947       106.1731 3221.372       123.4966 2905.414       207.8737 163.1044 3.129588 154.7321 5.552860 8.372269       6.374055 
1 1 1 -41 7  11 o 120.9972 3.273378 1794.268       89.08518 1827.748       108.2405 1723.974       156.8406 122.8235 3.642555 119.1709 5.439835 3.652565       6.546756 
1 1 1 -41 7  12 o 81.65570 3.649435 864.5180       64.15644 946.5232       77.32067 683.2838       114.9463 88.37287 3.616382 74.93854 6.339975 13.43433       7.298870 
1 1 1 -41 7  13 o 36.70242 5.443989 133.6721       37.95006 111.9864       41.57548 241.9988       92.92179 29.80371 5.973912 43.60113 9.102770 -13.79742      10.88798 
1 1 1 -41 7  14 o 64.07339 3.632734 464.1403       43.56467 445.1488       47.77425 557.8822       106.1405 60.58344 3.259399 67.56335 6.493330 -6.979912      7.265467 
1 1 1 -41 7  15 o 83.63542 3.406437 891.4934       53.88795 916.8550       60.29595 790.8388       120.1202 86.93733 2.866682 80.33352 6.180404 6.603813       6.812875 
1 1 1 -41 7  16 o 99.24806 3.354725 1173.276       72.53468 1135.048       85.03019 1275.431       138.9992 96.56779 3.639474 101.9283 5.636572 -5.360550      6.709449 
1 1 1 -41 7  17 o 82.88762 3.459880 871.9451       65.18679 939.5795       81.45319 751.4575       108.7166 87.74024 3.837134 78.03500 5.758427 9.705238       6.919760 
1 1 1 -41 7  18 o 16.74075 6.671017 19.36474       40.61445 0.000000       0.000000 19.36474       40.61445 ?        ?        16.74075 6.671017 ?              ?        
1 1 1 -41 7  19 o 41.94420 3.569634 215.9107       35.64837 275.4864       53.29976 167.6900       47.95204 47.19917 4.667546 36.68923 5.402144 10.50993       7.139268 
1 1 1 -41 7  20 f 22.72049 4.995677 66.12443       31.54201 41.53418       45.39401 89.08060       43.85982 19.57971 7.238476 25.86127 6.887060 -6.281553      9.991353 
1 1 1 -41 9  1  o 136.1685 3.108268 2323.754       88.68866 2407.242       103.4142 2091.612       172.4433 141.0105 3.031282 131.3265 5.427399 9.683975       6.216537 
1 1 1 -41 9  2  o 297.6967 4.714132 10546.27       285.6664 10368.95       324.2487 11161.21       603.8209 292.5127 4.581749 302.8808 8.240130 -10.36813      9.428265 
1 1 1 -41 9  4  o 279.1289 3.823334 9426.141       257.7727 9822.309       377.9396 9081.546       352.4818 284.5894 5.489103 273.6684 5.323653 10.92105       7.646668 
1 1 1 -41 9  5  o 109.6922 3.603366 1457.159       95.62832 1457.159       95.62832 0.000000       0.000000 109.6922 3.603366 ?        ?        ?              ?        
1 1 1 -41 9  6  o 163.0049 2.760329 3216.748       108.8291 3134.080       151.8487 3304.057       156.0525 160.8528 3.901935 165.1570 3.905454 -4.304123      5.520658 
1 1 1 -41 9  7  o 186.5060 2.928534 4211.553       132.0857 4314.804       190.2709 4115.513       183.5075 188.7090 4.167518 184.3031 4.115463 4.405838       5.857068 
1 1 1 -41 9  8  o 140.0441 2.610463 2370.993       88.35722 2484.979       128.4996 2268.767       121.6902 143.2297 3.708227 136.8586 3.675203 6.371155       5.220926 
1 1 1 -41 9  9  f 80.95825 2.644478 793.4500       51.76772 810.6393       74.74093 777.5997       71.77061 81.79923 3.776652 80.11727 3.702697 1.681961       5.288957 
1 1 1 -41 9  10 o 45.58765 3.653952 252.2193       40.19917 252.0755       58.96837 252.3442       54.94504 45.57029 5.348537 45.60500 4.979821 -0.3470612E-01 7.307904 
1 1 1 -41 9  11 o 239.6531 4.251242 6979.319       231.0731 6970.758       281.4459 6997.025       404.7542 239.6442 4.854290 239.6621 6.980550 -0.1792908E-01 8.502483 
1 1 1 -41 9  12 o 88.81635 3.195702 849.5797       53.86272 791.4311       59.00045 1140.512       131.9720 80.81748 3.017503 96.81522 5.634245 -15.99773      6.391404 
1 1 1 -41 9  13 o 73.91195 3.654647 616.2935       49.70398 592.0965       54.26699 742.2963       123.8355 69.87823 3.209900 77.94566 6.566759 -8.067429      7.309294 
1 1 1 -41 9  14 o 25.13184 6.273824 60.46748       37.60330 55.60131       41.00662 86.18680       94.27361 21.54579 6.929334 28.71789 10.46078 -7.172096      12.54765 
1 1 1 -41 9  15 o 42.08509 5.693286 218.0666       40.65562 215.5195       43.94522 233.1945       107.0960 42.04315 4.320302 42.12703 10.53513 -0.8387756E-01 11.38657 
1 1 1 -41 9  16 o 62.79955 4.076081 462.5531       45.79272 451.6733       49.83366 521.5943       116.0884 60.91241 3.381541 64.68668 7.417744 -3.774261      8.152162 
1 1 1 -41 9  17 o 69.62209 3.885762 538.7762       49.24240 510.5354       53.50677 695.0625       125.8725 64.70103 3.418183 74.54316 6.979443 -9.842133      7.771524 
1 1 1 -41 9  18 o 38.53502 5.779923 192.8323       47.49134 191.9337       55.29310 195.3599       92.73112 39.23759 5.824602 37.83245 9.985191 1.405148       11.55985 
1 1 1 -41 9  19 o 46.36751 4.896656 293.9711       42.22547 306.3302       47.83198 250.3272       89.88488 49.86371 3.964893 42.87131 8.954808 6.992397       9.793312 
1 1 1 -41 9  20 o 35.73996 4.823229 162.8617       38.85938 198.9846       65.85001 143.5609       48.13406 38.47714 7.341640 33.00279 6.257352 5.474350       9.646458 
1 1 1 -41 11 1  o 63.50605 3.249188 485.9278       49.75270 525.7331       74.18480 453.3884       67.07332 65.85363 4.656213 61.15847 4.533054 4.695164       6.498377 
1 1 1 -41 11 2  o 72.17743 3.003908 631.4277       52.43696 611.5526       74.10304 651.3608       74.21118 71.03770 4.311663 73.31716 4.183708 -2.279465      6.007816 
1 1 1 -41 11 3  o 218.3713 3.248491 5775.594       171.5316 5916.837       247.6051 5645.258       237.8532 220.9326 4.632309 215.8100 4.555490 5.122559       6.496982 
1 1 1 -41 11 4  o 227.6304 3.329563 6281.445       183.3641 6269.580       258.5615 6293.450       260.0771 227.4151 4.699397 227.8457 4.718011 -0.4305725     6.659126 
1 1 1 -41 11 5  o 208.5264 3.151242 5268.198       158.9455 5375.995       227.7280 5165.802       221.9491 210.6044 4.469376 206.4485 4.443645 4.155869       6.302484 
1 1 1 -41 11 6  o 113.2928 2.636698 1555.165       72.25659 1529.194       102.5957 1580.726       101.7817 112.3521 3.774380 114.2335 3.682765 -1.881355      5.273396 
1 1 1 -41 11 7  o 217.4546 3.230588 5724.914       169.8136 5546.420       234.2334 5922.665       246.5449 213.8913 4.526403 221.0179 4.610692 -7.126587      6.461177 
1 1 1 -41 11 8  o 46.56753 3.884020 267.9916       42.73978 204.2468       60.94683 329.6719       59.95181 40.99991 6.144207 52.13515 4.753016 -11.13524      7.768040 
1 1 1 -41 11 9  o 115.4510 2.613905 1615.216       73.00603 1642.337       103.5958 1588.459       102.9000 116.4147 3.678171 114.4872 3.714976 1.927505       5.227809 
1 1 1 -41 11 10 o 283.6502 3.893344 9779.152       267.1809 9814.862       378.6552 9743.743       377.0517 284.1655 5.507700 283.1349 5.504338 1.030579       7.786687 
1 1 1 -41 11 11 o 197.7903 3.042849 4747.895       145.5759 4687.390       203.2829 4811.588       208.5697 196.5016 4.275948 199.0789 4.330357 -2.577332      6.085698 
1 1 1 -41 11 12 o 83.12831 2.729302 839.0740       54.87802 854.9724       77.31440 822.9307       77.90747 83.92602 3.807689 82.33061 3.911249 1.595406       5.458605 
1 1 1 -41 11 13 o 101.6286 2.605447 1252.728       64.01180 1313.407       92.65473 1197.320       88.53823 103.9795 3.683134 99.27768 3.686183 4.701836       5.210895 
1 1 1 -41 11 14 o 73.92697 2.813630 666.6616       50.22461 638.5164       72.29993 692.9102       69.82153 72.39796 4.127710 75.45598 3.824665 -3.058014      5.627260 
1 1 1 -41 11 15 o 69.07597 2.887619 582.5716       48.23300 592.6130       67.51967 572.1077       68.92559 69.69576 4.004254 68.45617 4.161650 1.239594       5.775239 
1 1 1 -41 11 16 o 93.00195 3.672403 986.9396       72.66729 909.6389       83.27142 1233.789       148.8061 86.26183 3.990019 99.74208 6.166517 -13.48026      7.344806 
1 1 1 -41 11 17 o 59.11528 4.654330 421.4375       49.60247 413.2383       54.18116 463.8906       123.2868 58.08674 3.855396 60.14383 8.472726 -2.057087      9.308661 
1 1 1 -41 11 18 o 35.58219 6.394943 141.9225       43.65915 125.7324       47.57959 228.1975       109.8346 31.00021 6.549068 40.16417 10.98594 -9.163958      12.78989 
1 1 1 -41 11 19 o 25.30811 5.362467 95.56821       44.43130 140.5010       48.75316 -124.6877      107.9406 32.67430 6.396241 17.94192 8.608850 14.73239       10.72493 
1 1 1 -41 11 20 o 72.30038 4.353922 654.7804       76.15939 654.7804       76.15939 0.000000       0.000000 72.30038 4.353922 ?        ?        ?              ?        
1 1 1 -41 13 1  o 267.3142 3.741490 8674.248       241.9724 8653.067       341.4264 8695.623       342.9801 266.9873 5.285721 267.6411 5.296804 -0.6537476     7.482979 
1 1 1 -41 13 2  o 141.6877 2.745396 2428.277       94.01938 2320.979       129.5998 2547.485       136.6034 138.3907 3.870751 144.9847 3.894367 -6.594040      5.490793 
1 1 1 -41 13 3  o 95.75761 2.774523 1111.431       64.26751 1091.859       91.09769 1130.824       90.67972 94.91624 3.967021 96.59897 3.880033 -1.682724      5.549046 
1 1 1 -41 13 4  o 88.36920 2.892936 946.5406       61.84988 941.5428       87.31495 951.5739       87.62376 88.13492 4.094852 88.60348 4.087604 -0.4685593     5.785872 
1 1 1 -41 13 5  o 56.88754 3.583674 392.5492       49.29496 411.4937       70.44691 374.3735       69.00274 58.23421 5.000132 55.54086 5.135130 2.693348       7.167348 
1 1 1 -41 13 6  o 101.7284 2.671178 1252.931       65.66990 1338.911       94.37568 1172.222       91.43658 105.1118 3.711130 98.34505 3.842953 6.766769       5.342357 
1 1 1 -41 13 7  o 47.86996 4.034123 278.4660       46.32011 329.0649       66.98041 232.0880       64.12585 52.05195 5.318737 43.68798 6.066929 8.363972       8.068246 
1 1 1 -41 13 8  o 88.19518 2.829894 943.9498       60.34554 915.1403       85.90536 972.0151       84.78854 86.86096 4.087835 89.52939 3.914436 -2.668427      5.659789 
1 1 1 -41 13 9  o 82.00879 2.783016 814.7435       55.14299 757.0934       76.54095 876.9558       79.51178 78.99273 4.005017 85.02485 3.865301 -6.032120      5.566032 
1 1 1 -41 13 10 o 139.0931 2.673726 2347.100       89.96426 2302.774       126.1112 2393.032       128.3764 137.7559 3.783914 140.4303 3.778523 -2.674377      5.347452 
1 1 1 -41 13 11 o 92.04811 2.719687 1028.727       60.55535 1057.496       86.33345 1000.867       84.95947 93.31664 3.823999 90.77958 3.868310 2.537056       5.439374 
1 1 1 -41 13 12 o 34.83141 5.080774 153.8257       41.29351 165.9093       61.19283 143.7227       55.95388 36.09385 7.259100 33.56896 7.110733 2.524883       10.16155 
1 1 1 -41 13 13 o 75.90445 2.977878 700.1214       54.46659 793.4050       79.28456 616.7529       74.95264 80.69784 4.060920 71.11105 4.356598 9.586784       5.955755 
1 1 1 -41 13 14 o 138.0226 2.715093 2322.824       90.66228 2311.000       127.6747 2334.851       128.7639 137.6702 3.833212 138.3750 3.846219 -0.7048798     5.430185 
1 1 1 -41 13 15 o 87.53650 2.834222 936.3846       60.00144 901.0642       83.96230 973.2479       85.77650 85.84228 4.042786 89.23073 3.973302 -3.388451      5.668444 
1 1 1 -41 13 16 o 30.79998 5.573034 121.6492       41.81588 157.1145       63.94735 95.15562       55.27024 34.54625 7.831676 27.05370 7.930933 7.492548       11.14607 
1 1 1 -41 13 17 o 60.51532 3.403797 457.1130       49.31396 424.7488       73.59872 483.4808       66.43163 58.43571 5.205825 62.59494 4.386654 -4.159233      6.807595 
1 1 1 -41 13 18 o 46.21857 4.298068 265.4993       47.06332 298.5659       76.16742 245.0781       59.85702 48.33814 6.512939 44.09900 5.610274 4.239143       8.596136 
1 1 1 -41 13 19 o 23.43733 6.835825 45.28717       49.14823 42.17654       53.53026 61.98691       124.0310 20.18322 7.770613 26.69145 11.24863 -6.508228      13.67165 
1 1 1 -41 13 20 o 16.58955 7.628075 -29.88174      70.25092 -29.88174      70.25092 0.000000       0.000000 16.58955 7.628075 ?        ?        ?              ?        
1 1 1 -41 15 1  o 165.8912 2.901624 3339.546       116.4561 3349.543       164.4858 3329.499       164.9025 166.1415 4.092114 165.6408 4.114885 0.5007477      5.803247 
1 1 1 -41 15 2  o 89.00528 2.956308 963.6368       63.28457 1095.076       90.20048 836.2147       88.81148 95.01375 3.923919 82.99681 4.422883 12.01694       5.912617 
1 1 1 -41 15 3  o 91.47923 2.901488 1015.236       64.20751 1010.815       89.97530 1019.823       91.65425 91.27823 4.074308 91.68023 4.132136 -0.4020004     5.802976 
1 1 1 -41 15 4  o 78.36568 3.003706 745.3201       56.93771 748.1133       79.81767 742.4262       81.24548 78.51788 4.201730 78.21349 4.293538 0.3043976      6.007412 
1 1 1 -41 15 5  o 73.05304 3.087578 647.9890       54.54527 672.0228       77.25809 624.1033       77.01978 74.40827 4.291612 71.69780 4.440114 2.710472       6.175156 
1 1 1 -41 15 6  o 45.47653 4.223099 254.9601       45.86230 214.6255       66.23645 292.1059       63.56424 41.94918 6.526362 49.00388 5.361423 -7.054691      8.446198 
1 1 1 -41 15 7  o 65.36659 4.158044 503.0175       60.22028 564.5449       112.9670 478.5920       71.17685 67.97849 6.868749 62.75471 4.688027 5.223778       8.316088 
1 1 1 -41 15 8  o 218.8054 4.675829 5850.828       247.3724 5854.849       343.9440 5846.520       356.0444 218.9227 6.493734 218.6881 6.729407 0.2346802      9.351658 
1 1 1 -41 15 9  o 103.7643 2.696923 1307.622       67.68564 1349.336       96.11497 1266.584       95.33369 105.4108 3.768806 102.1178 3.858714 3.292953       5.393846 
1 1 1 -41 15 10 o 119.5922 2.685899 1736.549       77.67053 1663.735       108.0093 1814.526       111.7728 116.9961 3.815814 122.1884 3.780977 -5.192215      5.371799 
1 1 1 -41 15 11 o 102.3739 2.731065 1275.701       67.62490 1255.013       96.21889 1295.897       95.06367 101.5449 3.916518 103.2029 3.807328 -1.658058      5.462130 
1 1 1 -41 15 12 o 69.37583 4.508642 587.9842       75.67566 587.9842       75.67566 0.000000       0.000000 69.37583 4.508642 ?        ?        ?              ?        
1 1 1 -41 15 13 o 126.8888 2.752035 1964.356       84.47032 1916.518       118.3615 2014.010       120.5877 125.3114 3.904070 128.4662 3.879823 -3.154755      5.504070 
1 1 1 -41 15 14 o 80.66446 3.020835 797.2269       58.94030 818.1987       83.47991 776.3809       83.22898 81.73430 4.221583 79.59462 4.322038 2.139679       6.041670 
1 1 1 -41 15 15 o 83.54616 3.003495 858.3602       60.63551 823.3749       86.59988 892.0074       84.92769 81.83590 4.373923 85.25642 4.117370 -3.420517      6.006991 
1 1 1 -41 15 16 o 71.96310 3.267051 638.6001       56.53998 659.1152       85.27766 622.5083       75.52660 72.91553 4.834070 71.01067 4.396165 1.904861       6.534102 
1 1 1 -41 15 17 o 18.06093 5.486200 -3.682076      42.67823 32.79778       68.77225 -26.52980      54.42622 21.09244 8.582823 15.02943 6.835841 6.063004       10.97240 
1 1 1 -41 15 18 o 51.17689 4.787666 363.7993       53.27049 230.8557       78.68343 476.3023       72.38214 40.83406 8.248459 61.51972 4.863118 -20.68566      9.575333 
1 1 1 -41 15 19 o 19.15223 5.735209 20.41680       46.45511 -8.544553      74.58668 38.77189       59.37862 18.27068 8.183273 20.03378 8.037693 -1.763103      11.47042 
1 1 1 -41 17 1  o 76.78120 3.081400 716.5457       57.20726 682.9978       79.83376 751.9536       82.01699 74.93085 4.403759 78.63155 4.311265 -3.700691      6.162800 
1 1 1 -41 17 2  o 35.57291 5.206218 170.7096       43.92757 91.28019       66.34603 232.7077       58.61563 27.46986 8.811818 43.67597 5.547133 -16.20611      10.41244 
1 1 1 -41 17 3  o 28.73861 5.698146 99.11029       44.32177 158.8350       64.24436 44.86670       61.22546 35.28579 7.738475 22.19143 8.366090 13.09436       11.39629 
1 1 1 -41 17 4  o 104.0129 2.811140 1311.022       70.55802 1184.269       97.37473 1451.146       102.3817 98.72142 4.076923 109.3044 3.871527 -10.58298      5.622280 
1 1 1 -41 17 5  o 98.67426 2.870983 1184.410       68.47405 1224.440       95.95115 1142.866       97.74771 100.3870 3.950666 96.96149 4.166822 3.425514       5.741966 
1 1 1 -41 17 6  o 64.71875 3.284277 506.7657       51.25916 562.0035       75.91604 460.4810       69.49200 67.94203 4.618412 61.49548 4.670779 6.446556       6.568554 
1 1 1 -41 17 7  o 145.9482 2.794742 2588.483       98.64325 2646.278       141.9923 2534.571       137.1395 147.5168 3.978514 144.3796 3.926035 3.137192       5.589484 
1 1 1 -41 17 8  o 122.3978 6.455199 1840.571       191.1550 0.000000       0.000000 1840.571       191.1550 ?        ?        122.3978 6.455199 ?              ?        
1 1 1 -41 17 9  o 77.18576 3.104651 727.5953       57.89968 696.0462       82.71374 757.9073       81.07586 75.52305 4.526846 78.84848 4.250069 -3.325432      6.209301 
1 1 1 -41 17 10 o 68.38589 3.333443 575.7510       54.77308 516.4016       79.17072 630.2366       75.85714 64.92986 5.039852 71.84192 4.364316 -6.912056      6.666886 
1 1 1 -41 17 11 o 75.68706 3.107854 697.8668       56.79446 748.5115       83.54836 654.3589       77.43819 78.22611 4.414524 73.14799 4.375730 5.078117       6.215708 
1 1 1 -41 17 12 o 76.64374 3.138575 719.8860       58.19543 722.4778       81.97598 717.2528       82.62946 76.78860 4.412529 76.49888 4.464548 0.2897186      6.277150 
1 1 1 -41 17 13 o 27.87722 5.925806 92.57993       45.48928 151.0571       68.82614 47.22158       60.61621 33.77512 8.445095 21.97933 8.315110 11.79579       11.85161 
1 1 1 -41 17 14 o 47.60015 4.589001 283.3789       52.68255 304.3546       78.39272 266.1037       71.14259 49.16979 6.589843 46.03051 6.388246 3.139282       9.178001 
1 1 1 -41 17 15 o 23.53757 5.987059 46.98356       47.65026 115.8524       71.57928 -7.824483      63.85548 29.39200 9.117059 17.68315 7.762651 11.70885       11.97412 
1 1 1 -41 17 16 o 33.37003 5.701908 159.4470       50.73653 63.22404       77.62321 231.2189       67.03929 24.26721 9.353294 42.47286 6.524025 -18.20565      11.40382 
1 1 1 -41 17 17 o 41.43472 5.787468 237.7421       55.94421 252.0072       80.34544 224.3171       77.94335 42.74321 8.065183 40.12624 8.302527 2.616970       11.57494 
1 1 1 -41 17 18 o 20.05193 6.086513 21.12455       52.81776 17.07072       79.34237 24.35064       70.77998 20.20788 8.765164 19.89598 8.447157 0.3118992      12.17303 
1 1 1 -41 17 19 o 22.43514 6.906714 38.82263       74.62102 -112.2070      149.4329 88.99464       86.12830 20.13886 9.776279 24.73143 9.758851 -4.592571      13.81343 
1 1 1 -41 19 1  o 52.29136 4.411388 334.2272       51.14056 513.1440       78.51797 202.4050       67.39658 64.74816 5.012326 39.83456 7.260714 24.91360       8.822776 
1 1 1 -41 19 2  o 92.31533 2.921264 1038.780       65.23959 1057.654       92.74815 1020.295       91.78481 93.14796 4.115566 91.48270 4.146957 1.665253       5.842528 
1 1 1 -41 19 3  o 67.80905 3.404800 564.5034       55.56892 529.5341       81.17194 595.3468       76.23302 65.78137 5.100358 69.83672 4.511874 -4.055351      6.809601 
1 1 1 -41 19 4  o 100.8378 2.847245 1237.114       69.40292 1308.152       100.2526 1171.736       96.17546 103.6183 3.999048 98.05719 4.053988 5.561119       5.694489 
1 1 1 -41 19 5  o 43.95425 4.484052 235.3655       47.36497 276.6425       71.05267 202.3527       63.54306 47.40171 6.195611 40.50679 6.483925 6.894917       8.968103 
1 1 1 -41 19 6  o 124.6306 2.763937 1883.055       83.11864 2043.692       122.9943 1748.025       112.7657 129.4931 3.925869 119.7680 3.891650 9.725098       5.527874 
1 1 1 -41 19 7  f 87.34428 3.137623 938.1685       65.87137 857.8405       95.91962 1009.863       90.61860 83.72204 4.735495 90.96653 4.117498 -7.244492      6.275245 
1 1 1 -41 19 8  o 59.55303 3.801959 439.4692       54.15323 365.7024       76.80450 512.3958       76.36585 54.45963 5.829208 64.64643 4.882613 -10.18680      7.603919 
1 1 1 -41 19 9  o 38.23523 5.372105 191.3049       48.07150 154.5657       72.25483 220.4811       64.38967 34.29902 8.695390 42.17143 6.310962 -7.872414      10.74421 
1 1 1 -41 19 10 o 35.80305 5.744446 167.9931       48.53343 169.0798       71.09497 167.0446       66.41687 35.85670 8.350892 35.74942 7.890326 0.1072807      11.48889 
1 1 1 -41 19 11 o 65.34374 3.614139 526.3190       57.00522 539.4107       83.90359 515.0947       77.68964 66.06092 5.249689 64.62656 4.968780 1.434357       7.228279 
1 1 1 -41 19 12 o 47.04865 4.674041 280.7843       52.43998 262.5057       79.53329 294.8422       69.74892 45.50654 7.223918 48.59076 5.933097 -3.084217      9.348082 
1 1 1 -41 19 13 o 56.51660 4.177746 404.7130       56.51091 350.6452       81.71844 454.2664       78.23249 52.68193 6.411447 60.35126 5.357948 -7.669327      8.355493 
1 1 1 -41 19 14 o 91.65964 3.129430 1043.811       69.18589 952.2081       97.85637 1135.366       97.83089 87.52968 4.620952 95.78960 4.221388 -8.259926      6.258859 
1 1 1 -41 19 15 o 18.06430 5.668476 -10.34838      49.36761 -16.07503      72.41128 -5.374881      67.48177 18.05340 8.076126 18.07520 7.956296 -0.2179909E-01 11.33695 
1 1 1 -41 19 16 o 49.59755 5.034820 326.9141       60.25018 324.4532       82.19506 329.7719       88.57546 49.55962 6.855126 49.63547 7.375967 -0.7584763E-01 10.06964 
1 1 1 -41 19 17 o 20.67961 6.346503 13.39401       60.74428 -31.55639      85.99333 58.16098       85.81770 18.16779 8.384794 23.19143 9.529304 -5.023642      12.69301 
1 1 1 -41 21 1  f 73.88165 3.417279 666.8542       60.89354 730.2422       90.41180 614.2277       82.38040 77.07135 4.848750 70.69195 4.816723 6.379402       6.834559 
1 1 1 -41 21 2  o 49.89804 4.275730 302.8657       51.13640 359.2823       78.75944 261.7506       67.23563 53.84078 6.046289 45.95529 6.047301 7.885490       8.551460 
1 1 1 -41 21 3  o 123.1610 4.093873 1855.349       121.9860 1855.349       121.9860 0.000000       0.000000 123.1610 4.093873 ?        ?        ?              ?        
1 1 1 -41 21 4  o 21.02966 5.900593 2.100138       46.65863 85.99814       78.57946 -43.58814      57.98767 27.17935 9.592715 14.87998 6.873704 12.29937       11.80119 
1 1 1 -41 21 5  o 49.02896 4.576992 299.8981       53.76382 292.9960       81.32731 305.2560       71.65493 48.42413 6.941803 49.63379 5.967141 -1.209663      9.153983 
1 1 1 -41 21 6  o 59.57480 4.011603 446.0168       56.86329 375.9789       83.39017 506.8860       77.74043 54.98722 6.268315 64.16238 5.007998 -9.175167      8.023206 
1 1 1 -41 21 7  o 114.7005 4.086564 1611.516       113.4034 0.000000       0.000000 1611.516       113.4034 ?        ?        114.7005 4.086564 ?              ?        
1 1 1 -41 21 8  o 54.06002 4.221778 362.0261       55.06370 400.9235       80.87325 328.4110       75.18156 56.77502 5.887695 51.34502 6.052164 5.429996       8.443557 
1 1 1 -41 21 9  o 50.80562 4.469528 326.3085       54.39183 290.1723       79.42816 358.2178       74.63840 47.98217 6.842146 53.62907 5.752542 -5.646900      8.939055 
1 1 1 -41 21 10 o 17.63985 5.544362 -18.71542      48.02644 -56.98468      76.71731 5.947716       61.58749 16.86735 7.831889 18.41236 7.849925 -1.545012      11.08872 
1 1 1 -41 21 11 o 42.75196 5.552290 239.4851       54.91763 268.0548       84.11475 218.2589       72.50298 44.91271 8.036098 40.59120 7.663734 4.321510       11.10458 
1 1 1 -41 21 12 o 49.22791 4.874130 311.5710       57.96136 305.6656       83.76667 316.9955       80.28371 48.68761 7.111324 49.76820 6.667656 -1.080589      9.748260 
1 1 1 -41 21 13 o 76.75577 3.705784 743.3798       68.73074 717.3748       98.40900 768.1448       96.03439 75.34954 5.398237 78.16199 5.078423 -2.812454      7.411568 
1 1 1 -41 21 14 o 50.90512 4.976144 342.3569       61.16422 337.6434       88.83553 346.6053       84.33813 50.42063 7.282426 51.38961 6.783384 -0.9689751     9.952288 
1 1 1 -41 21 15 o 25.91092 6.779397 87.81902       58.52263 45.62473       82.27447 131.0316       83.26135 22.34558 9.270254 29.47625 9.894609 -7.130667      13.55879 
1 1 1 -41 21 16 o 20.28638 6.389326 10.19160       64.11320 34.79916       85.02271 -22.24515      97.61561 21.22688 9.140278 19.34589 8.930245 1.880991       12.77865 
1 1 1 -41 23 1  o 20.03112 5.968804 11.04475       50.59817 -26.08537      78.09338 37.90988       66.42713 18.55329 8.337110 21.50895 8.543950 -2.955662      11.93761 
1 1 1 -41 23 2  o 114.7516 3.018336 1622.009       83.79678 1626.979       118.5591 1617.047       118.4540 114.9295 4.263842 114.5736 4.273295 0.3559036      6.036672 
1 1 1 -41 23 3  o 82.30231 3.369513 837.9149       67.01823 836.0726       97.02422 839.5959       92.68105 82.17147 4.880415 82.43314 4.647151 -0.2616730     6.739025 
1 1 1 -41 23 4  o 88.22677 3.252154 962.0673       69.36225 921.9416       98.36023 1001.760       97.82802 86.35204 4.708088 90.10149 4.487753 -3.749451      6.504308 
1 1 1 -41 23 5  o 54.22271 4.438365 366.3921       57.94362 411.5893       87.10909 330.5223       77.60179 57.18679 6.296010 51.25862 6.257525 5.928177       8.876731 
1 1 1 -41 23 6  o 48.33398 6.492146 318.4329       64.75198 298.9887       126.5352 325.3312       75.36786 45.81098 11.44865 50.85698 6.125383 -5.045998      12.98429 
1 1 1 -41 23 7  o 26.13751 6.576646 83.13824       53.14680 56.80346       81.75186 102.4150       69.94384 24.34497 9.538470 27.93005 9.056857 -3.585079      13.15329 
1 1 1 -41 23 8  o 92.39497 3.264138 1047.340       72.36247 1256.572       108.2675 878.4082       97.28347 100.7277 4.442696 84.06222 4.783391 16.66550       6.528275 
1 1 1 -41 23 9  o 48.75858 5.339081 314.9821       60.79075 273.3404       87.63436 353.6058       84.39909 44.95641 8.364984 52.56074 6.637033 -7.604332      10.67816 
1 1 1 -41 23 10 o 46.98814 5.201279 287.9026       59.02035 294.1568       86.44536 282.4417       80.77737 47.37715 7.541720 46.59913 7.164891 0.7780228      10.40256 
1 1 1 -41 23 11 o 51.54253 4.912180 345.1976       60.53546 420.5572       89.00468 280.3305       82.57642 57.01233 6.452704 46.07274 7.408148 10.93959       9.824360 
1 1 1 -41 23 12 o 55.56851 4.906249 403.5275       65.38551 484.5339       98.11652 338.8133       87.69651 60.69730 6.681446 50.43972 7.186333 10.25759       9.812497 
1 1 1 -41 23 13 o 27.69190 6.968289 111.3571       58.67658 97.23283       79.55013 128.2113       86.89836 26.26264 9.602719 29.12116 10.10030 -2.858522      13.93658 
1 1 1 -41 23 14 o 29.22329 7.400274 136.6955       65.68247 118.8698       86.04468 161.5874       101.6786 27.55068 10.00018 30.89590 10.91113 -3.345221      14.80055 
1 1 1 -41 25 5  o 39.89304 9.377666 250.5690       103.0747 247.7097       126.7313 256.1570       177.1654 40.14270 12.06980 39.64337 14.35557 0.4993362      18.75533 
1 1 1 -41 25 6  o 60.79455 8.293779 566.3786       113.4392 610.3510       142.7897 491.1362       186.7834 66.95723 8.814487 54.63186 14.05176 12.32537       16.58756 
1 1 1 -41 25 7  o 87.21290 5.825284 1031.175       118.5094 1046.639       150.5109 1005.949       192.2396 89.37827 6.960393 85.04752 9.342841 4.330750       11.65057 
1 1 1 -41 25 8  o 25.98331 8.225400 -22.09261      97.60643 -90.08923      116.0997 141.8203       180.2578 19.47174 9.225724 32.49488 13.62038 -13.02314      16.45080 
1 1 1 -41 25 9  o 40.44486 8.613256 305.6096       109.9739 401.6657       129.7117 60.04759       207.3947 51.26997 10.79825 29.61976 13.42202 21.65021       17.22651 
1 1 1 -41 25 10 o 31.41023 9.126878 132.6300       103.5684 82.55801       124.0126 248.0666       188.2956 26.78208 11.26522 36.03839 14.36295 -9.256311      18.25376 
1 1 1 -41 25 11 o 36.85072 9.875649 249.9639       110.0743 206.1868       128.0094 374.1821       215.6308 33.86090 12.21164 39.84053 15.52384 -5.979630      19.75130 
1 1 1 -41 25 12 o 26.86977 7.841371 91.39815       103.4791 203.5693       118.2108 -276.3831      214.0481 32.93995 11.75061 20.79959 10.38612 12.14037       15.68274 
1 1 1 -40 0  1  o 104.6426 2.473179 1329.533       88.32439 1329.533       88.32439 1329.533       88.32439 104.6426 3.497603 104.6426 3.497603 0.000000       0.000000 
1 1 1 -40 0  2  o 96.63590 2.459454 1134.443       81.08050 1134.443       81.08050 1134.443       81.08050 96.63590 3.478193 96.63590 3.478193 0.000000       0.000000 
1 1 1 -40 0  3  o 168.1209 2.738667 3426.036       157.3466 3426.036       157.3466 3426.036       157.3466 168.1209 3.873059 168.1209 3.873059 0.000000       0.000000 
1 1 1 -40 0  4  o 218.2668 3.180708 5773.688       237.3080 5773.688       237.3080 5773.688       237.3080 218.2668 4.498201 218.2668 4.498201 0.000000       0.000000 
1 1 1 -40 0  5  o 251.2064 3.505541 7648.156       301.0380 7648.156       301.0380 7648.156       301.0380 251.2064 4.957583 251.2064 4.957583 0.000000       0.000000 
1 1 1 -40 0  6  o 288.5288 3.900897 10091.09       384.7802 10091.09       384.7802 10091.09       384.7802 288.5288 5.516702 288.5288 5.516702 0.000000       0.000000 
1 1 1 -40 0  7  o 57.00942 2.702850 398.6219       52.17731 398.6219       52.17731 398.6219       52.17731 57.00942 3.822407 57.00942 3.822407 0.000000       0.000000 
1 1 1 -40 0  9  o 43.65403 3.021688 237.2422       44.13995 237.2422       44.13995 237.2422       44.13995 43.65403 4.273313 43.65403 4.273313 0.000000       0.000000 
1 1 1 -40 0  10 o 80.35236 2.332510 785.3275       63.88114 785.3275       63.88114 785.3275       63.88114 80.35236 3.298667 80.35236 3.298667 0.000000       0.000000 
1 1 1 -40 0  11 o 236.6331 3.345693 6788.777       270.6368 6788.777       270.6368 6788.777       270.6368 236.6331 4.731524 236.6331 4.731524 0.000000       0.000000 
1 1 1 -40 0  12 o 60.62240 2.687350 450.1139       55.23885 450.1139       55.23885 450.1139       55.23885 60.62240 3.800487 60.62240 3.800487 0.000000       0.000000 
1 1 1 -40 0  13 o 90.60847 3.472946 1003.331       106.9445 1003.331       106.9445 1003.331       106.9445 90.60847 4.911487 90.60847 4.911487 0.000000       0.000000 
1 1 1 -40 0  14 o 43.62646 3.527515 239.5669       50.87444 239.5669       50.87444 239.5669       50.87444 43.62646 4.988660 43.62646 4.988660 0.000000       0.000000 
1 1 1 -40 0  15 o 96.07683 2.399487 1122.227       78.65457 1122.227       78.65457 1122.227       78.65457 96.07683 3.393386 96.07683 3.393386 0.000000       0.000000 
1 1 1 -40 0  16 o 32.28264 4.654490 141.3623       45.47705 141.3623       45.47705 141.3623       45.47705 32.28264 6.582443 32.28264 6.582443 0.000000       0.000000 
1 1 1 -40 0  17 o 10.45036 4.761621 0.3050132      39.34257 0.3050132      39.34257 0.3050132      39.34257 10.45036 6.733949 10.45036 6.733949 0.000000       0.000000 
1 1 1 -40 0  18 o 8.090872 3.943906 -27.09733      36.32877 -27.09733      36.32877 -27.09733      36.32877 8.090872 5.577525 8.090872 5.577525 0.000000       0.000000 
1 1 1 -40 0  19 o 8.605962 4.151748 -22.15470      37.95292 -22.15470      37.95292 -22.15470      37.95292 8.605962 5.871459 8.605962 5.871459 0.000000       0.000000 
1 1 1 -40 2  1  o 147.8181 3.014333 2701.690       93.79183 2761.640       109.1948 2533.016       183.1601 151.0527 2.987935 144.5834 5.236129 6.469376       6.028665 
1 1 1 -40 2  2  o 139.7554 2.947695 2426.834       87.01768 2495.767       101.6640 2237.954       168.2852 143.6004 2.926234 135.9104 5.117889 7.690048       5.895391 
1 1 1 -40 2  3  o 117.9430 2.774722 1622.129       67.45022 1568.963       76.69276 1803.688       141.7246 113.8601 2.784071 122.0259 4.800549 -8.165764      5.549444 
1 1 1 -40 2  4  o 91.88289 2.682078 1022.257       52.28013 1022.386       60.76408 1021.892       102.5794 91.91273 2.732556 91.85306 4.615985 0.5966949E-01  5.364157 
1 1 1 -40 2  5  o 341.5629 5.212180 13947.27       365.6829 13762.22       417.0484 14562.76       760.5873 337.0262 5.114704 346.0996 9.083342 -9.073486      10.42436 
1 1 1 -40 2  6  o 137.0036 2.876043 2308.789       83.43657 2348.447       97.31016 2198.691       162.1380 139.2961 2.887467 134.7112 4.974839 4.584900       5.752086 
1 1 1 -40 2  7  o 443.9938 6.546590 24002.60       609.4771 24020.25       704.4203 23950.03       1215.561 444.9614 6.543456 443.0261 11.34083 1.935303       13.09318 
1 1 1 -40 2  8  o 114.5679 3.360069 1587.388       93.03600 1689.471       134.7318 1494.349       128.6260 118.0833 4.716061 111.0525 4.787382 7.030785       6.720138 
1 1 1 -40 2  9  o 49.18332 3.456550 323.2639       34.69382 356.9802       40.82233 235.5741       65.83436 54.30281 3.107228 44.06382 6.175443 10.23899       6.913101 
1 1 1 -40 2  10 o 460.2905 6.742073 26098.70       660.3752 26409.51       771.5003 25246.88       1277.227 466.3234 6.838275 454.2576 11.62154 12.06573       13.48415 
1 1 1 -40 2  11 o 201.8479 3.475311 4980.112       148.2257 5023.494       172.3073 4856.633       290.7021 203.6654 3.496908 200.0304 6.006894 3.635010       6.950621 
1 1 1 -40 2  12 o 260.9116 3.603675 8257.150       227.4752 8287.814       322.8351 8226.913       320.5739 261.3915 5.104897 260.4317 5.087822 0.9598083      7.207351 
1 1 1 -40 2  13 o 195.9234 3.614452 4656.863       161.8241 4652.710       198.5492 4665.081       279.2887 195.8997 4.189210 195.9472 5.891313 -0.4747009E-01 7.228904 
1 1 1 -40 2  14 o 115.6323 2.454286 1620.770       68.65958 1618.974       97.31076 1622.551       96.88923 115.5678 3.480340 115.6967 3.461403 -0.1288834     4.908572 
1 1 1 -40 2  15 o 149.1302 2.586301 2696.051       93.26589 2776.399       134.5637 2621.768       129.3845 151.2641 3.676967 146.9962 3.638093 4.267899       5.172602 
1 1 1 -40 2  16 o 38.07974 3.593366 178.7847       32.51567 140.0224       45.86272 217.9601       46.10646 33.85074 5.600017 42.30874 4.504323 -8.458000      7.186732 
1 1 1 -40 2  17 o 43.50749 3.214354 232.1001       33.64034 259.5129       47.45391 204.4067       47.69627 46.12614 4.252287 40.88884 4.821446 5.237297       6.428708 
1 1 1 -40 2  18 o 56.06680 2.773339 383.3744       37.59652 400.3272       54.23170 367.6876       52.16739 57.25970 3.914730 54.87391 3.929443 2.385796       5.546678 
1 1 1 -40 2  19 o 54.93571 2.659426 369.2005       35.34049 377.9873       50.10516 360.5016       49.85379 55.59195 3.725361 54.27946 3.796298 1.312485       5.318852 
1 1 1 -40 2  20 o 39.94634 4.012619 196.3475       38.77995 196.3475       38.77995 0.000000       0.000000 39.94634 4.012619 ?        ?        ?              ?        
1 1 1 -40 4  1  o 110.2393 2.916495 1521.646       67.26151 1575.098       78.34509 1371.802       131.1740 114.0784 2.838611 106.4002 5.095690 7.678238       5.832990 
1 1 1 -40 4  2  o 117.7724 2.822737 1605.615       67.96257 1545.606       76.92155 1819.155       145.1036 113.0068 2.813462 122.5379 4.894467 -9.531044      5.645474 
1 1 1 -40 4  3  o 199.8051 3.467865 4839.002       145.4062 4841.474       168.0702 4831.648       289.9363 199.9812 3.473755 199.6290 6.003114 0.3521881      6.935730 
1 1 1 -40 4  4  o 172.0320 3.186303 3532.513       113.5931 3484.844       130.0517 3685.901       233.2882 169.6752 3.168074 174.3888 5.529323 -4.713547      6.372606 
1 1 1 -40 4  5  o 198.6268 3.452775 4909.005       147.5153 5073.341       174.3482 4494.943       276.7484 204.7090 3.520288 192.5445 5.940892 12.16452       6.905550 
1 1 1 -40 4  6  o 242.2178 3.922165 7209.821       202.0921 7321.202       236.1882 6905.414       390.4630 245.8805 3.970377 238.5552 6.765325 7.325348       7.844330 
1 1 1 -40 4  7  o 236.9623 3.861960 6889.018       194.2399 6980.607       226.6075 6635.336       377.1340 240.0904 3.901189 233.8342 6.666308 6.256210       7.723920 
1 1 1 -40 4  8  o 79.66232 3.058475 779.2540       55.25602 800.0045       67.77837 738.1321       95.41456 81.28578 3.446468 78.03886 5.053607 3.246925       6.116951 
1 1 1 -40 4  9  o 148.0886 2.989048 2709.135       93.26007 2765.878       108.5925 2549.673       182.0426 151.1559 2.969426 145.0214 5.188463 6.134476       5.978096 
1 1 1 -40 4  10 o 367.2810 5.520123 16462.39       426.4247 16522.04       493.9646 16287.92       844.8354 369.0758 5.531946 365.4862 9.554297 3.589569       11.04025 
1 1 1 -40 4  11 f 23.57635 5.521418 65.92312       33.44287 73.47413       37.53031 36.81142       73.69080 24.16193 6.340497 22.99077 9.041145 1.171164       11.04284 
1 1 1 -40 4  12 o 101.9137 2.860488 1235.841       59.56833 1216.568       67.73643 1301.606       125.1281 100.2407 2.793031 103.5867 4.992849 -3.345932      5.720976 
1 1 1 -40 4  13 o 349.2611 5.325947 14852.13       388.0046 14833.88       447.1200 14907.79       780.7909 349.5106 5.287635 349.0115 9.246825 0.4990845      10.65189 
1 1 1 -40 4  14 o 51.60143 4.746516 381.1841       41.35816 411.6434       46.12170 256.1570       93.44316 58.27651 3.271219 44.92634 8.911610 13.35017       9.493032 
1 1 1 -40 4  15 o 47.70205 4.171279 272.7363       43.83608 289.4706       82.01177 266.0430       51.86705 48.62823 6.970845 46.77586 4.583186 1.852367       8.342558 
1 1 1 -40 4  16 o 60.58308 3.859869 446.3311       56.57523 0.000000       0.000000 446.3311       56.57523 ?        ?        60.58308 3.859869 ?              ?        
1 1 1 -40 4  17 o 54.81497 2.831534 368.4838       37.30996 327.0509       53.47035 407.7982       52.08541 51.76501 4.269474 57.86493 3.720475 -6.099918      5.663068 
1 1 1 -40 4  18 o 65.31421 2.561207 520.4555       40.46460 517.3553       57.67773 523.4603       56.78390 65.11672 3.661115 65.51169 3.582648 -0.3949661     5.122415 
1 1 1 -40 4  19 o 25.18447 4.760551 82.59667       29.66327 74.26242       42.67324 90.38907       41.26271 24.00627 6.949156 26.36267 6.508503 -2.356398      9.521102 
1 1 1 -40 4  20 o 14.49611 6.080509 6.205088       35.96720 6.205088       35.96720 0.000000       0.000000 14.49611 6.080509 ?        ?        ?              ?        
1 1 1 -40 6  1  o 224.8262 3.737514 6337.747       182.7211 6637.515       218.2835 5635.931       333.9946 234.1193 3.853730 215.5331 6.405061 18.58627       7.475028 
1 1 1 -40 6  2  o 277.6916 4.358289 9552.508       260.3163 9803.010       307.0670 8912.552       490.7973 284.4749 4.461560 270.9082 7.488205 13.56674       8.716578 
1 1 1 -40 6  3  o 382.4681 5.659060 18204.62       470.4752 18797.50       559.6325 16775.73       868.8002 393.7313 5.874904 371.2049 9.673952 22.52643       11.31812 
1 1 1 -40 6  4  o 416.5247 6.207367 20973.27       536.4899 20855.25       615.9095 21344.44       1092.227 414.6739 6.139145 418.3754 10.79058 -3.701447      12.41473 
1 1 1 -40 6  5  o 207.9656 3.567087 5406.908       159.8425 5623.557       189.4722 4872.100       297.6910 215.5097 3.633927 200.4215 6.139301 15.08820       7.134174 
1 1 1 -40 6  6  o 198.5614 3.483048 4772.275       144.1611 4766.880       166.0123 4788.816       290.7023 198.4226 3.458172 198.7002 6.047110 -0.2775726     6.966095 
1 1 1 -40 6  7  o 31.26225 5.078481 118.7645       32.65281 117.7084       36.80852 122.6651       70.74157 31.16532 4.881737 31.35918 8.906881 -0.1938610     10.15696 
1 1 1 -40 6  8  o 216.5440 3.668851 5696.029       166.3288 5707.358       192.1068 5662.106       332.4142 217.0933 3.657581 215.9947 6.361129 1.098663       7.337702 
1 1 1 -40 6  9  o 283.0927 4.442769 9782.558       264.6899 9839.938       306.8458 9615.705       523.2471 284.9635 4.450703 281.2219 7.690515 3.741638       8.885537 
1 1 1 -40 6  10 o 141.2873 3.202812 2472.457       103.5967 2596.444       129.1439 2248.662       173.5049 146.4130 3.645794 136.1616 5.266897 10.25134       6.405624 
1 1 1 -40 6  11 o 60.65333 3.901019 480.8949       43.53007 501.9666       48.52458 394.0512       98.51031 64.38446 3.115146 56.92220 7.153157 7.462261       7.802037 
1 1 1 -40 6  12 o 100.3813 3.237628 1248.219       71.84605 1289.199       86.44632 1156.693       129.1930 103.1578 3.463714 97.60485 5.470981 5.552994       6.475256 
1 1 1 -40 6  13 o 134.3696 3.048359 2195.112       83.64827 2199.082       95.50474 2182.034       173.3374 134.7375 2.929774 134.0016 5.346625 0.7358551      6.096718 
1 1 1 -40 6  14 o 52.89100 4.249798 365.9788       41.11093 380.9145       45.72898 303.0339       93.87705 56.04799 3.372323 49.73400 7.801960 6.313980       8.499597 
1 1 1 -40 6  15 o 96.13531 2.820968 1120.543       65.61201 1120.543       65.61201 0.000000       0.000000 96.13531 2.820968 ?        ?        ?              ?        
1 1 1 -40 6  16 o 50.38921 4.088712 278.3041       39.95644 258.6062       44.06925 369.3040       94.72110 46.09064 3.952033 54.68778 7.159029 -8.597137      8.177424 
1 1 1 -40 6  17 o 80.22374 2.487375 779.7242       48.15157 853.2654       71.05401 717.2684       65.48019 83.70506 3.508605 76.74242 3.526729 6.962639       4.974749 
1 1 1 -40 6  18 o 76.03902 2.496660 699.1133       45.71054 796.2432       68.30900 620.3492       61.51275 80.78477 3.494992 71.29327 3.566270 9.491493       4.993320 
1 1 1 -40 6  19 o 16.59304 4.525067 12.12348       28.20391 49.68305       41.26411 -20.80753      38.63799 20.45524 6.965184 12.73084 5.778507 7.724393       9.050135 
1 1 1 -40 6  20 o 48.23422 2.875849 286.9394       33.25667 288.6336       50.58137 285.6493       44.13834 48.29591 4.328905 48.17253 3.787165 0.1233711      5.751698 
1 1 1 -40 8  1  o 126.8625 3.032884 1845.198       77.38715 1768.006       86.91843 2140.393       169.9726 120.8524 2.972721 132.8726 5.287388 -12.02016      6.065768 
1 1 1 -40 8  2  o 422.1580 6.241873 21885.32       559.0274 22104.94       651.6208 21273.05       1088.000 426.8205 6.310263 417.4956 10.77147 9.324890       12.48375 
1 1 1 -40 8  3  o 130.1763 3.059726 2046.065       81.16374 2040.294       92.46572 2065.437       169.4158 129.8275 2.943822 130.5251 5.364849 -0.6975861     6.119452 
1 1 1 -40 8  4  o 465.8409 6.816363 26796.35       678.8812 27221.04       796.0076 25663.30       1300.181 473.4940 6.948650 458.1879 11.72892 15.30606       13.63273 
1 1 1 -40 8  5  o 43.10403 4.293058 186.0518       38.76100 153.0169       43.55445 311.8382       84.98899 35.53035 5.066765 50.67770 6.931758 -15.14735      8.586116 
1 1 1 -40 8  6  f 185.2058 3.380160 4223.198       132.0065 4294.659       153.6133 4021.416       258.1276 188.3345 3.371293 182.0770 5.859720 6.257507       6.760321 
1 1 1 -40 8  7  o 139.0882 3.004625 2250.447       84.73332 2177.375       95.66981 2516.359       182.5023 134.1135 2.948494 144.0629 5.236170 -9.949463      6.009251 
1 1 1 -40 8  8  o 184.2844 3.386299 4186.659       131.2666 4261.460       152.6001 3973.825       257.4075 187.5976 3.362212 180.9711 5.879082 6.626495       6.772598 
1 1 1 -40 8  9  o 187.5620 3.422774 4261.388       132.8519 4257.875       152.4792 4272.457       270.6914 187.5104 3.361110 187.6135 5.963595 -0.1030579     6.845548 
1 1 1 -40 8  10 o 131.1778 3.091921 2058.697       81.48264 2037.622       92.12348 2134.444       174.6485 129.7271 2.935197 132.6285 5.442842 -2.901413      6.183842 
1 1 1 -40 8  11 o 198.0263 3.569207 4822.043       147.4773 4886.267       170.5600 4631.767       293.5755 200.8308 3.510303 195.2219 6.215684 5.608887       7.138415 
1 1 1 -40 8  12 o 91.37304 3.242583 992.2218       57.26887 978.7281       63.80056 1048.186       129.9311 89.89117 2.933629 92.85491 5.783701 -2.963745      6.485166 
1 1 1 -40 8  13 f 219.2021 3.805234 5654.228       166.9735 5511.756       187.8975 6189.173       364.0914 213.1824 3.643068 225.2219 6.681862 -12.03947      7.610468 
1 1 1 -40 8  14 o 137.9867 3.079501 2270.537       86.04792 2235.230       97.49130 2395.003       183.0479 135.7818 2.967714 140.1916 5.396849 -4.409851      6.159002 
1 1 1 -40 8  15 o 42.66512 5.210370 207.9005       38.59963 198.6326       41.83770 260.9161       100.0642 40.39139 4.281311 44.93885 9.500641 -4.547466      10.42074 
1 1 1 -40 8  16 o 74.62022 3.575583 685.0740       49.85804 686.9896       55.21893 676.6211       115.9982 75.19347 3.035327 74.04697 6.475027 1.146500       7.151167 
1 1 1 -40 8  17 o 21.76044 5.971408 35.12605       36.69088 28.99935       40.65553 62.02261       85.18336 17.90218 6.800834 25.61871 9.817307 -7.716532      11.94282 
1 1 1 -40 8  18 o 21.47615 5.853422 40.76204       35.36388 39.80963       39.03107 45.12790       83.56641 18.99860 6.754761 23.95370 9.561558 -4.955093      11.70684 
1 1 1 -40 8  19 o 37.48090 3.841630 172.5117       34.10881 188.2747       54.98311 162.6507       43.48814 38.75848 5.863545 36.20332 4.965011 2.555164       7.683261 
1 1 1 -40 8  20 o 26.23126 5.025212 91.51143       32.59279 99.57320       48.41027 84.82745       44.07981 27.23299 7.227511 25.22954 6.983847 2.003447       10.05042 
1 1 1 -40 10 1  o 162.2731 2.801334 3183.631       109.8715 3043.051       151.4155 3339.970       159.6771 158.4975 3.948622 166.0486 3.974705 -7.551071      5.602669 
1 1 1 -40 10 2  o 312.4128 4.187688 11822.05       316.1438 12242.49       461.0318 11448.86       434.3500 317.6347 5.999302 307.1909 5.844254 10.44373       8.375377 
1 1 1 -40 10 3  o 180.3089 2.895159 3938.220       126.2901 3914.639       177.5132 3962.387       179.7094 179.7632 4.081571 180.8546 4.107135 -1.091400      5.790318 
1 1 1 -40 10 4  o 298.2173 4.031253 10787.00       290.8309 10700.81       408.1828 10875.88       414.4836 297.0105 5.680423 299.4243 5.721607 -2.413788      8.062506 
1 1 1 -40 10 5  o 109.8515 2.564451 1460.300       68.12772 1515.868       97.84412 1408.007       94.91684 111.8788 3.614803 107.8242 3.638520 4.054588       5.128901 
1 1 1 -40 10 6  o 251.2312 3.546334 7650.379       215.5170 7542.027       301.4042 7763.736       308.2866 249.4138 4.994896 253.0485 5.035568 -3.634735      7.092668 
1 1 1 -40 10 7  o 224.0016 3.274420 6081.881       177.4502 6032.500       249.9097 6132.095       252.0084 223.0846 4.630322 224.9186 4.631135 -1.833923      6.548839 
1 1 1 -40 10 8  o 136.9907 2.620859 2273.312       86.86185 2261.797       122.9814 2284.774       122.7015 136.6438 3.720036 137.3375 3.692822 -0.6936951     5.241717 
1 1 1 -40 10 9  o 119.9940 2.565147 1743.927       74.45896 1765.662       106.3605 1723.037       104.2723 120.7264 3.641463 119.2616 3.613817 1.464813       5.130295 
1 1 1 -40 10 10 o 149.6392 2.702601 2713.667       97.84235 2711.778       138.1103 2715.570       138.6312 149.5873 3.816180 149.6910 3.827920 -0.1036987     5.405201 
1 1 1 -40 10 11 o 187.3496 2.949127 4256.420       133.6613 4331.803       190.5039 4183.333       187.5813 188.9835 4.166559 185.7157 4.174829 3.267838       5.898255 
1 1 1 -40 10 12 o 147.0997 2.661391 2624.412       94.69760 2610.466       132.4757 2638.985       135.4181 146.7034 3.732446 147.4959 3.794847 -0.7925110     5.322783 
1 1 1 -40 10 13 o 92.71600 2.572820 1043.042       57.63794 973.0029       80.71875 1115.905       82.32983 89.53365 3.726369 95.89835 3.548491 -6.364708      5.145641 
1 1 1 -40 10 14 o 138.8911 3.715140 2344.264       124.8395 2344.264       124.8395 0.000000       0.000000 138.8911 3.715140 ?        ?        ?              ?        
1 1 1 -40 10 15 o 127.4916 3.219986 2011.026       80.97457 2031.039       91.41660 1938.132       174.4712 129.3287 2.921647 125.6545 5.739097 3.674240       6.439973 
1 1 1 -40 10 16 o 28.70845 5.698872 123.8051       39.61028 144.7670       42.36573 -21.79655      111.6560 34.33669 5.099811 23.08022 10.19316 11.25646       11.39774 
1 1 1 -40 10 17 o 79.79461 3.834164 777.1725       55.21165 772.3794       60.47057 801.1898       135.3609 79.62055 3.139183 79.96867 6.996341 -0.3481140     7.668328 
1 1 1 -40 10 18 o 19.98586 5.958565 16.29718       38.52821 13.71393       42.26275 29.00654       93.74252 16.34128 6.697771 23.63045 9.856869 -7.289165      11.91713 
1 1 1 -40 10 19 o 36.33981 5.882930 202.7960       42.69035 220.7658       47.20330 122.0702       100.0477 42.17032 4.626613 30.50929 10.81804 11.66104       11.76586 
1 1 1 -40 10 20 o 13.93568 6.526289 -46.56983      55.15094 -46.56983      55.15094 0.000000       0.000000 13.93568 6.526289 ?        ?        ?              ?        
1 1 1 -40 12 1  f 159.5830 4.012174 3085.759       154.9062 3085.759       154.9062 0.000000       0.000000 159.5830 4.012174 ?        ?        ?              ?        
1 1 1 -40 12 2  o 187.0728 2.994819 4239.985       135.5279 4313.250       193.5085 4169.446       189.8739 188.6583 4.239569 185.4874 4.231054 3.170959       5.989638 
1 1 1 -40 12 3  o 317.7488 4.259936 12246.15       327.2617 12552.72       473.5023 11965.76       452.8255 321.5409 6.086723 313.9567 5.961545 7.584229       8.519872 
1 1 1 -40 12 4  o 64.48772 3.192175 504.1527       49.76422 502.4935       71.76755 505.6893       69.06471 64.38278 4.607401 64.59264 4.419477 -0.2098618     6.384350 
1 1 1 -40 12 5  o 152.9176 2.750863 2832.673       101.7649 2875.936       144.8541 2790.512       142.9984 154.0706 3.886052 151.7647 3.894558 2.305923       5.501726 
1 1 1 -40 12 6  o 134.1247 2.685896 2178.092       87.12128 2132.468       121.1180 2227.006       125.4103 132.6716 3.773362 135.5778 3.823335 -2.906235      5.371792 
1 1 1 -40 12 7  o 191.4890 3.032136 4443.814       140.4546 4379.101       196.6658 4511.182       200.6599 190.0675 4.276797 192.9104 4.299348 -2.842941      6.064272 
1 1 1 -40 12 8  o 177.0127 2.909060 3798.307       124.5753 3855.832       176.5317 3741.242       175.8225 178.3498 4.091172 175.6756 4.136764 2.674225       5.818119 
1 1 1 -40 12 9  o 51.19308 3.561705 318.5099       44.03216 295.7589       62.18407 341.3883       62.35806 49.35128 5.208089 53.03487 4.859916 -3.683590      7.123410 
1 1 1 -40 12 10 o 175.8764 2.895810 3752.882       123.2075 3814.952       174.2934 3690.885       174.1901 177.3341 4.062435 174.4187 4.127891 2.915436       5.791619 
1 1 1 -40 12 11 o 50.37969 3.556905 309.3866       43.16700 343.6606       61.22015 275.4969       60.87603 53.17513 4.758647 47.58425 5.287869 5.590881       7.113810 
1 1 1 -40 12 12 o 140.0642 2.656822 2381.833       90.03063 2373.279       127.2886 2390.397       127.3565 139.8118 3.763079 140.3167 3.751539 -0.5048676     5.313644 
1 1 1 -40 12 13 o 118.5045 2.606124 1707.141       74.68693 1649.332       105.6161 1764.965       105.6304 116.4880 3.747546 120.5210 3.622628 -4.033089      5.212248 
1 1 1 -40 12 14 o 60.86582 3.208703 453.8538       46.99992 434.3502       69.23446 470.5242       64.00856 59.61574 4.800197 62.11590 4.259249 -2.500160      6.417405 
1 1 1 -40 12 15 f 69.97566 2.939351 598.1830       49.70350 636.7507       70.79971 560.7035       69.79379 72.21674 4.052204 67.73458 4.258965 4.482162       5.878702 
1 1 1 -40 12 16 o 41.90771 4.460062 231.4482       41.83699 175.3384       64.39585 272.4293       55.03391 36.74403 7.497710 47.07138 4.832491 -10.32735      8.920124 
1 1 1 -40 12 17 o 48.24850 3.870532 291.7596       44.33054 273.7958       68.40621 304.7661       58.20718 46.82006 6.038948 49.67694 4.843054 -2.856884      7.741064 
1 1 1 -40 12 18 o 24.01215 6.951369 30.14904       55.54609 11.85074       63.32175 91.23141       115.6926 18.98805 8.021620 29.03624 11.35516 -10.04820      13.90274 
1 1 1 -40 12 19 o 69.89101 4.521977 685.1817       56.96704 723.1143       63.63826 532.1832       127.8074 76.64955 3.431677 63.13248 8.367599 13.51707       9.043955 
1 1 1 -40 12 20 o 25.66988 8.605095 90.96741       62.97260 90.96741       62.97260 0.000000       0.000000 25.66988 8.605095 ?        ?        ?              ?        
1 1 1 -40 14 1  f 125.5356 2.736626 1909.045       83.07754 1829.688       116.0364 1992.505       118.9984 122.8584 3.903796 128.2127 3.836255 -5.354370      5.473251 
1 1 1 -40 14 2  o 95.33978 2.895064 1098.797       66.63988 1005.031       91.78146 1203.344       96.91387 91.04665 4.166667 99.63290 4.020507 -8.586258      5.790129 
1 1 1 -40 14 3  o 255.5883 3.633263 7928.219       224.6554 8013.222       319.7000 7845.300       315.7580 256.9407 5.142893 254.2358 5.133522 2.704880       7.266526 
1 1 1 -40 14 4  o 197.6276 4.435865 4736.649       212.0939 0.000000       0.000000 4736.649       212.0939 ?        ?        197.6276 4.435865 ?              ?        
1 1 1 -40 14 5  o 114.5074 2.733279 1582.345       75.55193 1459.614       103.1302 1724.512       110.9961 109.7349 3.884531 119.2799 3.846254 -9.545021      5.466557 
1 1 1 -40 14 6  o 133.4131 2.703271 2157.470       87.22957 2229.298       123.9991 2087.101       122.7332 135.6144 3.779291 131.2118 3.866221 4.402557       5.406542 
1 1 1 -40 14 7  o 99.86684 3.150805 1201.442       73.95867 1174.181       93.55127 1246.877       120.7737 98.40182 3.929563 101.3318 4.926338 -2.930016      6.301609 
1 1 1 -40 14 8  o 45.24503 4.045816 249.1848       44.26936 241.6305       62.71460 256.6871       62.49862 44.55684 5.817709 45.93324 5.623945 -1.376400      8.091632 
1 1 1 -40 14 9  o 46.59454 3.866797 263.9369       43.54778 280.8928       62.67250 248.1080       60.55385 48.04374 5.391851 45.14534 5.544042 2.898403       7.733593 
1 1 1 -40 14 10 o 79.31775 2.891214 763.6431       55.46392 738.7397       77.42184 789.8979       79.49491 77.98900 4.103249 80.64649 4.074286 -2.657494      5.782427 
1 1 1 -40 14 11 o 66.44473 3.175135 536.6097       50.94653 584.2224       73.38657 492.3159       70.78250 69.29609 4.377292 63.59337 4.600571 5.702721       6.350271 
1 1 1 -40 14 13 o 30.02056 5.575199 118.7084       41.98745 82.61951       63.11642 147.3578       56.23587 26.14364 8.609877 33.89748 7.085296 -7.753836      11.15040 
1 1 1 -40 14 14 o 121.7541 3.924588 1809.462       115.6059 0.000000       0.000000 1809.462       115.6059 ?        ?        121.7541 3.924588 ?              ?        
1 1 1 -40 14 15 o 29.01098 5.089410 107.2146       43.02884 9.695977       64.06370 187.3654       58.07941 19.19277 8.086130 38.82919 6.182465 -19.63642      10.17882 
1 1 1 -40 14 16 o 50.55923 3.871495 317.0333       47.19410 322.7861       69.94357 312.2250       63.94427 50.93050 5.676329 50.18797 5.266230 0.7425346      7.742989 
1 1 1 -40 14 17 o 72.38193 3.142604 647.6248       54.92604 651.8314       80.31341 643.9285       75.28455 72.55556 4.575253 72.20829 4.309396 0.3472672      6.285207 
1 1 1 -40 14 18 o 47.18198 4.187638 277.2846       47.26940 321.7398       73.89098 246.4890       61.49989 50.26064 6.076606 44.10333 5.763690 6.157314       8.375277 
1 1 1 -40 14 19 o 26.42346 5.669240 96.82635       45.82046 14.52456       72.35431 151.9329       59.20540 19.70482 8.457352 33.14211 7.552108 -13.43728      11.33848 
1 1 1 -40 14 20 o 21.49235 6.766012 19.57906       60.99273 23.74777       130.1423 18.40571       69.04491 23.84805 10.73511 19.13666 8.238519 4.711395       13.53202 
1 1 1 -40 16 1  o 59.05518 3.582824 425.4011       50.99783 464.4613       71.78555 385.6002       72.46287 61.81641 4.799887 56.29394 5.320489 5.522465       7.165648 
1 1 1 -40 16 2  o 146.3353 2.819742 2597.944       99.79937 2571.816       139.1484 2625.622       143.2147 145.5821 3.950644 147.0885 4.024449 -1.506409      5.639484 
1 1 1 -40 16 3  o 174.6559 2.943837 3698.576       124.2697 3617.166       171.2531 3789.122       180.6076 172.6370 4.100174 176.6749 4.225314 -4.037857      5.887674 
1 1 1 -40 16 4  f 132.6185 2.734310 2133.757       87.69798 2130.092       122.3022 2137.637       125.8199 132.5065 3.815002 132.7305 3.918107 -0.2239838     5.468620 
1 1 1 -40 16 5  o 165.1646 4.047304 3311.048       161.7280 3311.048       161.7280 0.000000       0.000000 165.1646 4.047304 ?        ?        ?              ?        
1 1 1 -40 16 6  o 215.1640 3.265235 5626.222       169.9742 5657.256       240.6142 5595.308       240.1461 215.7580 4.609479 214.5700 4.625986 1.188065       6.530470 
1 1 1 -40 16 7  f 166.5817 2.895582 3369.963       116.6956 3354.437       164.3258 3385.759       165.7484 166.1960 4.086797 166.9675 4.103130 -0.7714996     5.791165 
1 1 1 -40 16 8  o 96.18050 4.344191 1146.873       98.70017 1219.512       129.0183 1044.378       153.2564 100.0251 5.331388 92.33592 6.860341 7.689163       8.688381 
1 1 1 -40 16 9  o 49.70929 4.091153 299.5901       47.16026 430.9285       70.97352 195.7534       63.10678 59.45816 4.933811 39.96041 6.527452 19.49775       8.182305 
1 1 1 -40 16 10 o 79.94555 3.014979 778.7365       58.28372 767.3796       83.42867 789.5630       81.45792 79.36555 4.344912 80.52554 4.181165 -1.159988      6.029958 
1 1 1 -40 16 11 o 166.4723 2.897640 3377.508       116.6982 3420.535       166.0398 3335.505       164.0506 167.5203 4.096779 165.4243 4.098983 2.095963       5.795279 
1 1 1 -40 16 12 f 42.36472 4.706612 227.5677       46.44283 208.1031       69.62783 243.1687       62.33570 40.29654 7.415117 44.43289 5.798691 -4.136349      9.413223 
1 1 1 -40 16 13 f 79.08673 3.121133 766.7812       59.64768 747.7288       85.80526 784.5974       82.97504 78.10679 4.540700 80.06667 4.283447 -1.959885      6.242266 
1 1 1 -40 16 15 o 53.96686 3.857124 356.4809       49.52225 392.8979       78.86962 332.7783       63.62926 56.10761 5.810128 51.82611 5.074648 4.281498       7.714249 
1 1 1 -40 16 16 o 59.37016 3.795436 449.3588       53.29755 382.3196       80.09303 502.6378       71.40171 55.07164 6.011245 63.66868 4.635328 -8.597046      7.590872 
1 1 1 -40 16 17 o 46.52348 4.769971 288.4384       50.78835 239.5806       76.45911 327.0195       67.94373 42.16952 7.780908 50.87743 5.519781 -8.707909      9.539943 
1 1 1 -40 16 18 o 43.29872 5.186627 248.0255       52.74161 296.9740       80.71030 211.5459       69.67611 47.37239 7.042086 39.22504 7.616655 8.147354       10.37325 
1 1 1 -40 16 19 f 46.50006 5.289345 316.2093       54.45394 215.7019       81.80957 396.1615       72.96596 37.84645 9.055804 55.15366 5.468190 -17.30721      10.57869 
1 1 1 -40 18 1  o 51.55867 4.069376 333.4756       49.42141 261.9996       72.69857 394.8906       67.38802 46.21119 6.502440 56.90614 4.894645 -10.69495      8.138752 
1 1 1 -40 18 2  o 90.37963 2.926377 993.2921       63.93847 1048.372       91.27250 940.2167       89.59611 92.84815 4.063164 87.91111 4.212531 4.937042       5.852753 
1 1 1 -40 18 3  o 55.28047 3.814401 372.2147       50.94863 389.8161       74.41555 356.6844       69.90069 56.50322 5.443625 54.05773 5.344676 2.445492       7.628802 
1 1 1 -40 18 4  o 183.5701 3.033055 4095.382       134.5880 3987.790       185.6919 4214.455       195.3473 181.0456 4.239382 186.0947 4.338815 -5.049011      6.066109 
1 1 1 -40 18 5  o 103.1090 2.812447 1292.679       70.08225 1375.317       99.98620 1212.871       98.25892 106.3603 3.885602 99.85776 4.067128 6.502510       5.624894 
1 1 1 -40 18 6  o 161.9969 2.888292 3190.380       113.1468 3088.187       157.1517 3300.373       163.0380 159.3076 4.077371 164.6862 4.091940 -5.378571      5.776585 
1 1 1 -40 18 7  o 157.6666 4.099475 3026.795       156.3761 3026.795       156.3761 0.000000       0.000000 157.6666 4.099475 ?        ?        ?              ?        
1 1 1 -40 18 8  o 46.88217 6.954883 345.8465       69.32809 412.7583       80.29794 149.9108       137.4073 58.00190 5.722157 35.76244 12.67827 22.23946       13.90977 
1 1 1 -40 18 9  o 60.25417 3.569683 445.1223       51.95854 435.1621       75.06477 454.2838       71.99244 59.58260 5.207322 60.92573 4.884092 -1.343132      7.139366 
1 1 1 -40 18 10 o 31.74998 5.796453 133.3715       45.64486 98.32285       67.79546 162.4319       61.73280 28.01991 8.899063 35.48005 7.429816 -7.460144      11.59291 
1 1 1 -40 18 11 o 76.54361 3.250965 717.8640       59.92586 722.6340       89.24747 713.9476       80.86688 76.72749 4.807758 76.35973 4.377277 0.3677597      6.501930 
1 1 1 -40 18 12 o 103.5974 2.885473 1313.766       72.29939 1268.817       101.3446 1360.352       103.1734 101.7827 4.115519 105.4120 4.045531 -3.629349      5.770946 
1 1 1 -40 18 13 o 85.78989 3.179813 907.0128       65.91096 860.2949       93.69740 952.7753       92.73441 83.55430 4.635072 88.02549 4.354418 -4.471191      6.359626 
1 1 1 -40 18 14 o 63.92683 5.533060 510.1759       85.57578 510.1759       85.57578 0.000000       0.000000 63.92683 5.533060 ?        ?        ?              ?        
1 1 1 -40 18 15 o 60.66948 4.038311 474.5623       57.72228 382.5787       85.55610 551.4123       78.20198 54.81092 6.451810 66.52803 4.858595 -11.71711      8.076621 
1 1 1 -40 18 16 o 38.24845 6.194867 207.2566       56.00837 180.7132       84.44025 228.1083       74.84122 35.51664 9.598552 40.98026 7.834113 -5.463615      12.38973 
1 1 1 -40 18 17 o 38.66898 5.809859 203.9332       56.71909 352.5819       85.79849 88.54394       75.59305 51.59436 6.873456 25.74360 9.368750 25.85076       11.61972 
1 1 1 -40 18 18 f 24.32694 6.791480 76.66720       59.13217 66.35871       83.03012 87.27676       84.23390 23.49930 9.477581 25.15458 9.729967 -1.655289      13.58296 
1 1 1 -40 20 1  o 73.98576 3.249641 668.8209       57.99728 680.6530       85.67755 658.8133       78.79510 74.56070 4.749576 73.41084 4.436462 1.149864       6.499282 
1 1 1 -40 20 2  o 124.5575 4.029694 1892.619       121.4351 1892.619       121.4351 0.000000       0.000000 124.5575 4.029694 ?        ?        ?              ?        
1 1 1 -40 20 3  o 46.54031 4.614768 270.8576       51.19767 244.8092       76.90053 291.5951       68.61472 44.40596 7.157902 48.67466 5.826557 -4.268700      9.229535 
1 1 1 -40 20 4  o 49.17131 4.271570 293.7126       50.34901 329.8273       77.92254 267.8279       65.96943 51.69981 6.229768 46.64282 5.845957 5.056984       8.543139 
1 1 1 -40 20 5  o 121.5832 2.824093 1802.502       83.02754 1721.267       116.1309 1887.443       118.7503 118.7701 4.041461 124.3963 3.945707 -5.626266      5.648187 
1 1 1 -40 20 6  o 110.1284 4.039522 1480.504       107.6296 0.000000       0.000000 1480.504       107.6296 ?        ?        110.1284 4.039522 ?              ?        
1 1 1 -40 20 7  o 37.02089 5.502524 163.4367       48.82070 267.1669       78.34052 97.57324       62.42467 46.32808 6.989399 27.71369 8.500552 18.61439       11.00505 
1 1 1 -40 20 8  o 29.20288 6.226597 105.9201       48.67380 145.9959       72.26147 72.63616       65.85413 33.32134 8.824029 25.08442 8.787409 8.236921       12.45319 
1 1 1 -40 20 9  o 75.38124 3.302139 698.7540       60.14619 672.4003       86.09434 723.8777       84.06122 73.95616 4.811693 76.80632 4.523727 -2.850159      6.604279 
1 1 1 -40 20 10 o 113.2798 2.911537 1573.121       79.72922 1656.987       113.3957 1491.127       112.1233 116.2972 4.030188 110.2623 4.203067 6.034836       5.823074 
1 1 1 -40 20 11 o 96.85020 3.027581 1153.374       70.90655 1200.724       100.7441 1106.892       99.81635 98.84510 4.212716 94.85532 4.349484 3.989784       6.055162 
1 1 1 -40 20 12 o 22.27201 6.158513 34.77721       48.48351 80.19013       77.08723 5.056681       62.36213 26.11684 9.467552 18.42717 7.878743 7.689667       12.31703 
1 1 1 -40 20 13 o 55.95327 4.309676 396.9826       57.90529 385.5455       86.51543 406.2639       77.93582 55.05671 6.495027 56.84983 5.666379 -1.793118      8.619352 
1 1 1 -40 20 14 o 68.48250 3.674755 588.6386       60.64583 599.9010       90.16066 579.3324       81.95734 68.97543 5.402819 67.98958 4.982453 0.9858475      7.349510 
1 1 1 -40 20 15 o 60.63401 4.469891 477.1309       65.42229 490.7782       90.50488 462.1960       94.67834 61.70528 6.062438 59.56273 6.570126 2.142551       8.939782 
1 1 1 -40 20 16 o 36.13101 6.653925 201.0780       59.60172 231.0888       78.46132 160.1344       91.64514 40.14692 8.350030 32.11510 10.36223 8.031822       13.30785 
1 1 1 -40 20 17 o 31.84068 7.173829 161.5766       64.53928 105.6434       86.76904 230.8427       96.55842 26.33078 9.951566 37.35058 10.33545 -11.01980      14.34766 
1 1 1 -40 22 1  o 33.33018 6.117732 150.9575       50.41768 114.2498       77.37688 178.0409       66.46366 29.76547 9.512836 36.89489 7.694967 -7.129419      12.23546 
1 1 1 -40 22 2  f 20.77870 6.067035 20.58770       48.52477 30.54359       77.42007 14.14601       62.27492 22.28855 9.092177 19.26886 8.035419 3.019688       12.13407 
1 1 1 -40 22 3  o 105.5346 2.970357 1358.814       75.62835 1507.107       111.0193 1230.412       103.3060 110.9025 4.137663 100.1668 4.262844 10.73563       5.940715 
1 1 1 -40 22 4  o 114.4570 4.079819 1604.827       112.9758 1604.827       112.9758 0.000000       0.000000 114.4570 4.079819 ?        ?        ?              ?        
1 1 1 -40 22 5  o 119.8952 4.247095 1763.390       123.1959 1763.390       123.1959 0.000000       0.000000 119.8952 4.247095 ?        ?        ?              ?        
1 1 1 -40 22 6  o 58.29590 4.153569 424.2888       58.20233 405.6913       86.16821 439.8925       78.92852 57.01211 6.247088 59.57969 5.475622 -2.567581      8.307137 
1 1 1 -40 22 7  o 53.37550 4.381777 360.3732       55.79472 319.7578       82.84644 394.0857       75.47854 50.41681 6.791976 56.33418 5.537953 -5.917362      8.763554 
1 1 1 -40 22 8  o 42.74989 5.444250 236.1106       54.31652 305.5682       79.80511 176.1675       74.13792 49.23523 6.699655 36.26454 8.583360 12.97070       10.88850 
1 1 1 -40 22 9  o 68.49820 3.685786 578.7782       60.42528 707.7943       89.51720 470.7881       81.89863 75.56503 4.896472 61.43137 5.510413 14.13366       7.371573 
1 1 1 -40 22 10 o 26.21265 6.518312 85.32246       51.62517 66.20478       79.89211 99.02802       67.64482 24.94683 9.519969 27.47847 8.906386 -2.531637      13.03662 
1 1 1 -40 22 11 o 105.4758 3.130889 1378.523       79.71245 1255.120       110.8345 1510.747       114.7271 100.5133 4.557736 110.4382 4.293823 -9.924950      6.261779 
1 1 1 -40 22 12 o 111.1169 3.161975 1538.711       84.97389 1558.023       119.0991 1518.687       121.2728 111.8786 4.400067 110.3553 4.542219 1.523315       6.323950 
1 1 1 -40 22 13 o 30.25990 6.616736 126.3667       54.99475 178.0633       81.61954 83.38124       74.42593 35.04689 9.422314 25.47290 9.292190 9.573986       13.23347 
1 1 1 -40 22 14 o 21.48401 6.482736 28.52180       59.51102 32.71737       83.25510 24.13846       85.09774 21.67850 9.180252 21.28951 9.155677 0.3889923      12.96547 
1 1 1 -40 22 15 o 35.50856 6.821970 197.8740       65.14104 108.9291       90.63375 292.9164       93.68890 26.95437 10.17475 44.06275 9.090192 -17.10838      13.64394 
1 1 1 -40 24 1  o 79.44246 3.485079 784.4137       66.92802 829.2502       96.53373 742.9130       92.87337 81.64416 4.887105 77.24077 4.969839 4.403389       6.970158 
1 1 1 -40 24 2  o 14.66877 4.980246 -94.44093      51.21126 -142.0344      82.49918 -64.60521      65.31969 14.51421 7.093893 14.82333 6.992001 -0.3091259     9.960491 
1 1 1 -40 24 3  o 23.57076 6.512405 52.84574       53.65583 58.95393       79.06726 47.63174       73.05093 24.28613 9.417692 22.85539 8.997375 1.430740       13.02481 
1 1 1 -40 24 4  o 56.52363 4.500934 404.4653       60.76571 405.0517       93.55508 404.0373       79.91849 56.35440 6.861787 56.69285 5.826620 -0.3384438     9.001867 
1 1 1 -40 24 5  o 18.59225 5.807691 -14.23834      52.19242 -50.80150      80.27879 12.53123       68.69097 17.51886 8.090944 19.66565 8.333890 -2.146791      11.61538 
1 1 1 -40 24 6  o 27.88336 6.701692 100.9723       57.04470 45.90799       90.36552 137.4525       73.55233 24.11984 9.829239 31.64687 9.112452 -7.527033      13.40338 
1 1 1 -40 24 7  o 28.95621 6.694758 104.2496       55.92408 163.9938       84.91113 58.47996       74.32002 34.18529 9.775153 23.72713 9.150165 10.45816       13.38952 
1 1 1 -40 24 8  o 20.85458 6.195160 22.54677       52.21735 19.18460       82.27431 24.81459       67.57079 21.41685 9.100515 20.29232 8.408367 1.124533       12.39032 
1 1 1 -40 24 9  o 69.81351 3.860463 616.0699       65.12766 626.8389       94.74422 606.4228       89.67365 70.33002 5.568134 69.29700 5.348698 1.033012       7.720925 
1 1 1 -40 24 10 o 47.76537 5.557958 319.2910       59.99277 225.5530       87.75591 401.5382       82.20142 39.67197 9.304094 55.85878 6.082548 -16.18681      11.11592 
1 1 1 -40 24 11 o 90.49968 3.447985 1032.354       75.16132 906.8932       102.8001 1176.449       110.1706 84.49107 5.028985 96.50829 4.718443 -12.01723      6.895970 
1 1 1 -40 24 12 o 57.98267 5.089877 454.3905       71.27185 421.7949       97.74173 491.4007       104.1505 55.72457 7.249884 60.24077 7.146089 -4.516201      10.17975 
1 1 1 -40 24 13 o 56.25466 5.007980 434.0836       67.53793 363.4998       92.15362 515.9879       99.26888 50.94456 7.476740 61.56477 6.664669 -10.62021      10.01596 
1 1 1 -40 26 9  o 77.37553 10.92852 941.1064       204.5819 0.000000       0.000000 941.1064       204.5819 ?        ?        77.37553 10.92852 ?              ?        
1 1 1 -40 26 10 o 33.33340 8.873268 217.1533       105.7973 266.9839       126.8535 103.2957       191.7499 38.17554 12.17808 28.49125 12.90867 9.684290       17.74654 
1 1 1 -40 26 11 o 29.29260 8.885221 136.5667       102.6934 84.67579       121.3069 267.8168       192.9255 25.20141 10.88453 33.38379 14.04691 -8.182375      17.77044 
1 1 1 -39 1  1  o 178.0352 2.808407 3837.474       120.9634 3816.248       170.2260 3859.125       171.9226 177.5382 3.963070 178.5321 3.980287 -0.9938812     5.616815 
1 1 1 -39 1  2  o 43.75457 3.424522 233.0605       35.50815 175.4407       49.11307 296.1639       51.39698 38.05368 5.334554 49.45547 4.295571 -11.40179      6.849044 
1 1 1 -39 1  3  o 126.5837 2.458256 1939.583       75.28441 1944.623       106.4039 1934.532       106.5327 126.7485 3.469865 126.4189 3.483121 0.3296051      4.916513 
1 1 1 -39 1  4  o 209.8504 3.086678 5320.072       156.4868 5107.736       214.3805 5562.246       228.9487 205.3813 4.314417 214.3194 4.415443 -8.938080      6.173357 
1 1 1 -39 1  5  o 228.0753 3.763468 6279.884       179.3311 6257.769       206.6193 6347.413       361.0551 227.3543 3.756345 228.7962 6.522625 -1.441910      7.526937 
1 1 1 -39 1  6  o 412.9930 6.111856 20780.38       530.8887 20839.61       614.8112 20606.78       1052.618 414.6011 6.129274 411.3849 10.57597 3.216217       12.22371 
1 1 1 -39 1  7  o 185.5900 3.276642 4231.621       129.2242 4298.696       150.9481 4047.591       250.0290 188.4439 3.310879 182.7361 5.655406 5.707794       6.553284 
1 1 1 -39 1  8  o 291.0582 5.549150 10269.45       390.7587 10269.45       390.7587 0.000000       0.000000 291.0582 5.549150 ?        ?        ?              ?        
1 1 1 -39 1  9  o 112.9852 2.688949 1585.042       64.31778 1629.346       75.22304 1464.604       124.0262 116.0258 2.679747 109.9445 4.662698 6.081284       5.377899 
1 1 1 -39 1  10 o 142.6972 2.490800 2465.630       85.98913 2472.876       122.1549 2458.512       121.0663 142.9046 3.533154 142.4898 3.511861 0.4147797      4.981600 
1 1 1 -39 1  11 o 179.6100 2.798052 3907.797       121.5872 3908.432       172.1137 3907.164       171.7874 179.6244 3.960479 179.5957 3.953604 0.2870178E-01  5.596104 
1 1 1 -39 1  12 o 85.46907 2.892352 894.7638       56.97042 918.0314       71.03751 852.8257       95.37106 87.06583 3.372389 83.87231 4.699977 3.193520       5.784703 
1 1 1 -39 1  13 o 62.78141 3.213524 475.8252       46.65371 485.1874       78.88071 470.7883       57.85830 63.23236 5.156192 62.33046 3.836746 0.9018974      6.427047 
1 1 1 -39 1  14 o 82.53358 2.425474 824.9401       48.36949 768.2029       67.49393 884.8470       69.35356 79.61481 3.504036 85.45235 3.354613 -5.837540      4.850948 
1 1 1 -39 1  15 o 85.97537 2.391342 896.0991       49.71126 939.9424       70.90373 853.7124       69.71599 88.04641 3.328550 83.90434 3.434359 4.142075       4.782684 
1 1 1 -39 1  16 o 110.1083 2.365337 1470.452       62.98594 1527.934       90.30891 1416.005       87.89143 112.2042 3.326743 108.0124 3.363340 4.191811       4.730674 
1 1 1 -39 1  17 o 61.77028 2.587627 463.2478       38.61827 498.3041       55.92567 431.2966       53.39138 64.00399 3.611619 59.53658 3.706679 4.467415       5.175255 
1 1 1 -39 1  18 o 50.06931 2.803754 305.9701       33.95645 297.2757       47.72018 314.8877       48.32894 49.34525 3.997187 50.79336 3.932765 -1.448116      5.607508 
1 1 1 -39 1  19 f 89.75531 2.254052 981.6388       48.93305 1015.121       69.89728 949.4569       68.52665 91.26041 3.165742 88.25020 3.209530 3.010216       4.508104 
1 1 1 -39 3  1  o 232.7206 3.819433 6626.515       188.0444 6695.869       218.8255 6430.696       367.6956 235.1690 3.846056 230.2723 6.600009 4.896683       7.638865 
1 1 1 -39 3  2  o 38.90248 4.543452 211.6365       34.48027 236.8808       40.27060 142.2962       66.74195 44.23390 3.762968 33.57107 8.271148 10.66283       9.086904 
1 1 1 -39 3  3  o 204.5270 3.511676 5008.417       148.8281 4954.369       170.4961 5181.440       305.0527 202.3071 3.483381 206.7469 6.098649 -4.439819      7.023351 
1 1 1 -39 3  4  o 29.30208 4.901240 111.6926       31.17009 118.9727       35.82172 88.99464       63.25150 31.34110 4.724218 27.26306 8.588968 4.078039       9.802480 
1 1 1 -39 3  5  o 143.8958 2.914492 2467.994       87.18666 2431.525       99.93784 2584.176       178.3772 141.7411 2.914283 146.0505 5.048170 -4.309402      5.828985 
1 1 1 -39 3  6  o 206.9522 3.514089 5231.467       153.9512 5277.806       179.1345 5100.536       301.1123 208.7966 3.546121 205.1079 6.067974 3.688614       7.028178 
1 1 1 -39 3  7  o 462.5685 6.773790 26197.67       662.6715 26368.89       770.4471 25710.89       1299.092 466.1714 6.831168 458.9656 11.69923 7.205750       13.54758 
1 1 1 -39 3  8  o 199.5563 3.644504 4877.981       167.8156 5005.054       209.5579 4650.803       280.1961 203.2775 4.261011 195.8352 5.913834 7.442276       7.289009 
1 1 1 -39 3  9  o 335.2930 5.065824 13818.21       361.7989 14007.79       423.0075 13301.61       698.2773 339.9462 5.143225 330.6399 8.729119 9.306366       10.13165 
1 1 1 -39 3  10 o 80.69444 2.765426 780.8806       46.43317 773.5052       53.31508 804.0452       94.48681 79.93900 2.756697 81.44989 4.794887 -1.510895      5.530851 
1 1 1 -39 3  11 o 209.0418 3.563340 5327.345       156.6277 5357.338       181.4687 5239.738       310.1455 210.3226 3.566264 207.7611 6.170197 2.561569       7.126680 
1 1 1 -39 3  12 o 132.4168 2.901954 2100.105       79.57079 2077.541       91.12895 2172.516       163.2485 130.9951 2.875405 133.8386 5.041567 -2.843521      5.803909 
1 1 1 -39 3  13 o 111.8672 3.001235 1483.470       75.24255 1430.786       89.95550 1606.187       137.2900 108.6774 3.421262 115.0571 4.931998 -6.379791      6.002469 
1 1 1 -39 3  14 o 151.2172 3.165740 2741.879       108.8340 2872.100       191.8044 2680.042       132.1720 153.7529 5.156238 148.6814 3.674351 5.071503       6.331480 
1 1 1 -39 3  15 o 90.01583 2.409795 982.7551       52.47396 962.9358       74.11935 1002.671       74.29974 89.10384 3.438214 90.92783 3.377445 -1.823990      4.819590 
1 1 1 -39 3  16 o 109.1776 2.383440 1441.883       62.83241 1569.595       91.82987 1329.459       86.15796 113.7108 3.337950 104.6443 3.403121 9.066490       4.766879 
1 1 1 -39 3  17 o 63.81979 2.531424 495.3857       38.99805 541.3076       55.87114 451.7557       54.45911 66.71505 3.461476 60.92453 3.694673 5.790524       5.062848 
1 1 1 -39 3  18 o 45.00823 3.029711 247.6879       32.98601 253.6351       47.03996 241.9342       46.26814 45.54140 4.269315 44.47506 4.299948 1.066345       6.059422 
1 1 1 -39 3  19 o 17.32535 4.373472 24.88660       26.24741 -12.81899      38.64052 57.18897       35.76492 13.37105 5.946173 21.27965 6.414986 -7.908600      8.746943 
1 1 1 -39 3  20 o 10.38632 4.796460 -21.61418      28.20435 -21.61418      28.20435 0.000000       0.000000 10.38632 4.796460 ?        ?        ?              ?        
1 1 1 -39 5  1  o 149.1280 3.005196 2593.421       91.62458 2511.496       103.8341 2881.618       194.7491 144.0481 2.979408 154.2078 5.219955 -10.15968      6.010391 
1 1 1 -39 5  2  o 44.97343 3.916331 231.6890       37.18135 218.8494       42.57727 272.9328       76.30997 42.51160 4.139692 47.43526 6.649327 -4.923656      7.832662 
1 1 1 -39 5  3  o 184.0365 3.321888 4089.545       127.4732 4076.879       146.7416 4128.495       257.3375 183.5200 3.304971 184.5530 5.763412 -1.032959      6.643775 
1 1 1 -39 5  4  o 274.3916 4.335795 9101.110       248.2439 9074.120       285.8931 9183.819       500.4699 273.7268 4.317019 275.0563 7.520626 -1.329468      8.671590 
1 1 1 -39 5  5  o 234.7755 3.866163 6643.312       188.8616 6608.051       217.0765 6753.123       383.0785 233.6133 3.840721 235.9377 6.711016 -2.324326      7.732327 
1 1 1 -39 5  6  o 207.3866 3.533559 5318.679       156.5148 5446.198       183.7473 4981.559       298.7621 212.0927 3.580906 202.6805 6.092722 9.412262       7.067117 
1 1 1 -39 5  7  o 128.7640 2.848777 2063.692       77.50565 2126.344       90.61452 1892.921       149.6024 132.5435 2.825772 124.9845 4.947438 7.559036       5.697554 
1 1 1 -39 5  8  o 157.2083 3.059262 2970.772       99.63541 2949.427       114.2288 3038.667       203.7242 156.0931 3.024750 158.3234 5.318573 -2.230331      6.118524 
1 1 1 -39 5  9  o 303.6410 4.700524 11169.59       298.0345 11146.97       343.4656 11238.55       599.6179 303.2911 4.680813 303.9908 8.152895 -0.6996765     9.401048 
1 1 1 -39 5  10 o 106.0068 2.835757 1360.115       61.75354 1359.079       70.63766 1363.474       127.1925 105.9603 2.755440 106.0534 4.957178 -0.9311676E-01 5.671513 
1 1 1 -39 5  11 o 21.80414 5.526391 49.82876       32.58654 54.66423       36.38544 30.23200       73.24879 21.20631 6.487369 22.40198 8.948633 -1.195675      11.05278 
1 1 1 -39 5  12 f 217.1029 3.703987 5681.276       166.4609 5646.536       190.8397 5791.791       340.3752 215.8920 3.653675 218.3138 6.444279 -2.421829      7.407974 
1 1 1 -39 5  13 o 117.1960 2.917325 1581.904       68.60300 1520.639       77.03236 1816.776       150.8293 112.0571 2.841395 122.3350 5.096038 -10.27795      5.834649 
1 1 1 -39 5  14 o 190.0804 3.638718 4431.632       157.7321 4514.199       194.1364 4271.267       270.5580 192.8688 4.160473 187.2919 5.970891 5.576920       7.277436 
1 1 1 -39 5  15 o 143.8852 3.238850 2458.235       103.8734 2370.471       123.6529 2668.650       191.4633 139.7571 3.657026 148.0133 5.346660 -8.256180      6.477701 
1 1 1 -39 5  16 o 58.43562 2.724222 416.0062       38.42157 384.4349       54.49934 447.2026       54.17474 56.21484 4.007172 60.65638 3.691628 -4.441540      5.448444 
1 1 1 -39 5  17 o 114.6277 2.417827 1586.995       66.80472 1747.223       99.72358 1456.552       89.97845 119.8345 3.439644 109.4209 3.398881 10.41364       4.835653 
1 1 1 -39 5  18 o 46.70210 3.144654 272.4984       33.43572 394.1533       48.74859 164.4284       45.94624 56.85222 3.544152 36.55198 5.195612 20.30024       6.289309 
1 1 1 -39 5  19 o 49.02402 2.886868 292.9573       34.11570 329.4990       50.40031 262.0558       46.34782 51.83832 4.018648 46.20972 4.145660 5.628601       5.773736 
1 1 1 -39 5  20 o 37.15801 4.742410 171.2626       42.63377 171.2626       42.63377 0.000000       0.000000 37.15801 4.742410 ?        ?        ?              ?        
1 1 1 -39 7  1  o 468.0402 6.936473 26366.54       668.3027 26087.17       763.5594 27281.38       1381.713 463.6240 6.807295 472.4564 12.08798 -8.832397      13.87295 
1 1 1 -39 7  2  o 143.8118 3.064631 2564.456       92.45815 2627.554       107.5286 2385.485       181.0948 147.3340 3.016605 140.2896 5.335537 7.044464       6.129262 
1 1 1 -39 7  3  o 366.8008 5.562323 16156.38       420.0456 15989.09       479.9009 16704.34       868.5372 363.1888 5.461562 370.4128 9.691703 -7.223969      11.12465 
1 1 1 -39 7  4  o 88.88338 3.264531 1068.680       57.41419 1175.593       66.64294 760.8566       113.0813 98.55421 2.794967 79.21255 5.900578 19.34166       6.529063 
1 1 1 -39 7  5  o 373.2386 5.629908 16790.98       435.1986 16664.89       498.9283 17192.15       889.9210 370.7582 5.562180 375.7189 9.790077 -4.960632      11.25982 
1 1 1 -39 7  6  o 148.7895 3.068361 2725.552       95.28374 2769.936       110.2850 2594.884       189.2310 151.2706 3.013421 146.3084 5.345900 4.962204       6.136722 
1 1 1 -39 7  7  o 58.32198 3.319234 378.4373       39.12847 353.7672       43.83937 475.0744       86.76617 54.05494 3.352174 62.58902 5.729938 -8.534077      6.638468 
1 1 1 -39 7  8  o 216.6556 3.675174 5739.350       167.4449 5790.174       194.1718 5591.910       330.7193 218.6615 3.670385 214.6497 6.368350 4.011841       7.350348 
1 1 1 -39 7  9  o 183.8096 3.344845 4166.726       129.4030 4243.571       150.5021 3948.840       253.4249 187.2070 3.322906 180.4122 5.806053 6.794830       6.689690 
1 1 1 -39 7  10 o 200.1613 3.544312 4863.826       147.0766 4869.188       169.0316 4847.115       298.4191 200.5122 3.484373 199.8103 6.173146 0.7019501      7.088624 
1 1 1 -39 7  11 o 150.3291 3.114423 2725.822       96.23350 2713.794       110.0108 2765.021       198.6041 149.7067 3.037329 150.9514 5.438119 -1.244720      6.228845 
1 1 1 -39 7  12 o 165.3354 3.249860 3338.052       111.1940 3359.379       127.8592 3271.862       225.2481 166.5405 3.173290 164.1303 5.672441 2.410187       6.499720 
1 1 1 -39 7  13 o 93.15723 3.220485 1063.876       58.10666 1071.073       65.10519 1035.693       128.8285 94.03403 2.861727 92.28042 5.770321 1.753616       6.440969 
1 1 1 -39 7  14 o 85.02979 3.359022 920.2971       54.37887 948.2804       60.98845 811.7787       120.1017 88.46202 2.849630 81.59756 6.083727 6.864464       6.718045 
1 1 1 -39 7  15 o 49.62747 3.633423 299.0863       43.62550 299.0863       43.62550 0.000000       0.000000 49.62747 3.633423 ?        ?        ?              ?        
1 1 1 -39 7  16 o 122.1080 3.216932 1865.464       88.12230 1951.852       107.7183 1690.660       153.2287 126.7007 3.514052 117.5152 5.389439 9.185455       6.433865 
1 1 1 -39 7  17 o 63.64296 3.707451 520.3550       52.54743 564.8635       64.67532 433.9084       90.13460 68.04247 3.928767 59.24345 6.288526 8.799023       7.414902 
1 1 1 -39 7  18 f 21.25321 4.909806 55.05498       29.14454 47.18449       43.79138 61.31290       39.04838 20.43772 7.165436 22.06869 6.714260 -1.630974      9.819612 
1 1 1 -39 7  19 o 26.11169 4.813559 89.84678       30.81820 78.86622       45.65633 99.03737       41.76961 24.65681 7.202525 27.56657 6.387881 -2.909767      9.627117 
1 1 1 -39 7  20 o 28.96925 4.281653 106.9238       28.78432 131.0837       44.92196 90.09471       37.49232 31.72649 6.073621 26.21201 6.036667 5.514482       8.563307 
1 1 1 -39 9  1  o 132.6028 2.571656 2129.439       82.48827 2080.540       116.5152 2178.576       116.7974 131.0751 3.674179 134.1306 3.599175 -3.055527      5.143311 
1 1 1 -39 9  3  o 343.2028 6.394401 14293.59       530.9492 14293.59       530.9492 0.000000       0.000000 343.2028 6.394401 ?        ?        ?              ?        
1 1 1 -39 9  4  o 163.6470 2.751337 3243.405       108.9303 3238.779       154.3818 3247.992       153.7217 163.5303 3.902074 163.7638 3.879850 -0.2335510     5.502673 
1 1 1 -39 9  5  o 121.2308 2.523413 1779.896       74.00021 1745.965       104.7824 1813.659       104.5223 120.0767 3.606845 122.3850 3.530031 -2.308296      5.046825 
1 1 1 -39 9  6  o 183.1670 2.895232 4063.660       128.2947 4100.692       182.6231 4027.575       180.2719 183.9904 4.102592 182.3437 4.086344 1.646683       5.790463 
1 1 1 -39 9  7  o 60.96207 2.928916 452.4492       42.98080 417.8883       62.34687 483.7495       59.33313 58.72715 4.388069 63.19699 3.880598 -4.469841      5.857831 
1 1 1 -39 9  8  o 139.3079 2.580003 2349.208       86.93350 2408.996       124.6184 2292.532       121.3325 141.0334 3.652226 137.5824 3.645123 3.451080       5.160007 
1 1 1 -39 9  9  o 162.2263 2.727091 3187.626       107.0238 3128.251       150.3306 3248.646       152.3998 160.6941 3.866740 163.7584 3.846612 -3.064301      5.454182 
1 1 1 -39 9  10 o 83.06458 2.634208 834.4772       52.89235 872.5043       76.73349 800.0532       73.00768 84.86410 3.737306 81.26505 3.713321 3.599052       5.268416 
1 1 1 -39 9  11 o 137.6662 2.619249 2295.708       87.22223 2240.719       122.1172 2352.976       124.6227 135.9833 3.711837 139.3490 3.696501 -3.365646      5.238497 
1 1 1 -39 9  12 o 102.3568 2.533881 1267.005       62.67571 1205.397       86.19820 1336.114       91.29490 99.72339 3.572720 104.9902 3.594145 -5.266762      5.067761 
1 1 1 -39 9  13 o 139.1969 3.368521 2365.273       103.6539 2381.056       123.8556 2328.376       189.3688 140.1071 3.653871 138.2867 5.660120 1.820313       6.737041 
1 1 1 -39 9  14 o 166.0810 3.473881 3450.826       132.1252 3679.648       165.6409 3050.565       219.0743 174.0499 3.933613 158.1121 5.726960 15.93781       6.947761 
1 1 1 -39 9  15 o 67.59315 3.761633 563.0583       46.16418 565.4738       50.74304 551.4575       111.2052 68.25125 3.073007 66.93507 6.867034 1.316185       7.523266 
1 1 1 -39 9  16 o 50.54407 5.600945 384.9719       44.25115 412.1029       48.31942 243.9025       110.1806 58.19597 3.431835 42.89217 10.66325 15.30380       11.20189 
1 1 1 -39 9  17 o 63.09518 4.161148 571.2767       47.91599 629.1940       54.38234 370.2558       101.3152 71.89455 3.126509 54.29581 7.712688 17.59874       8.322296 
1 1 1 -39 9  18 o 43.49592 4.817871 237.3412       39.14362 234.8078       43.71439 247.5907       87.92725 43.74982 4.129960 43.24202 8.705800 0.5078011      9.635742 
1 1 1 -39 9  19 o 56.50119 4.190348 434.4658       45.27903 460.9280       51.44419 343.4860       95.38842 61.32780 3.467182 51.67458 7.629858 9.653229       8.380696 
1 1 1 -39 9  20 o 64.80900 2.776051 512.4470       43.08118 628.0666       64.77480 420.7342       57.69066 71.33849 3.753011 58.27950 4.091546 13.05899       5.552103 
1 1 1 -39 11 1  o 28.04865 5.480065 99.83121       40.04996 59.48128       59.90181 132.4491       53.85751 23.70416 8.374433 32.39312 7.070596 -8.688959      10.96013 
1 1 1 -39 11 2  o 87.47842 2.740251 928.2139       57.90976 878.8649       82.44816 976.2644       81.35629 85.17662 4.000905 89.78023 3.745485 -4.603607      5.480502 
1 1 1 -39 11 3  o 200.8683 3.072530 4883.634       149.2312 4731.915       206.8237 5048.405       215.5352 197.6189 4.325832 204.1177 4.364509 -6.498856      6.145060 
1 1 1 -39 11 4  o 67.38803 3.007060 549.6411       48.95417 592.8754       70.38419 509.1270       68.13395 69.95469 4.158685 64.82137 4.344533 5.133324       6.014119 
1 1 1 -39 11 5  o 91.01137 2.682774 1002.142       59.03848 1043.369       85.15195 963.9785       81.92740 92.81188 3.792178 89.21086 3.795851 3.601021       5.365547 
1 1 1 -39 11 6  f 20.33381 5.421882 34.43878       37.34293 11.33272       55.47044 53.58988       50.50048 18.48696 7.635902 22.18065 7.699363 -3.693691      10.84376 
1 1 1 -39 11 7  o 171.1286 2.840531 3547.129       117.5877 3485.988       164.6241 3610.816       168.0159 169.6239 4.011476 172.6334 4.022752 -3.009537      5.681063 
1 1 1 -39 11 8  o 37.11726 4.523707 169.4566       39.80919 176.0734       58.22598 163.6488       54.55094 38.07254 6.321246 36.16198 6.472832 1.910557       9.047414 
1 1 1 -39 11 9  o 118.4270 2.611792 1698.196       74.79665 1667.441       103.8520 1731.344       107.8162 117.3153 3.658962 119.5387 3.727979 -2.223381      5.223584 
1 1 1 -39 11 10 f 96.06912 2.691741 1119.919       62.46881 1147.941       86.68459 1089.644       90.10303 97.32679 3.681351 94.81145 3.928043 2.515335       5.383481 
1 1 1 -39 11 11 f 261.9031 3.661983 8333.150       232.0084 8263.362       325.0265 8405.651       331.2819 260.7914 5.151376 263.0148 5.206132 -2.223450      7.323967 
1 1 1 -39 11 12 o 101.2197 2.607167 1242.939       63.82686 1246.289       89.23435 1239.429       91.33182 101.3631 3.638731 101.0763 3.734825 0.2867355      5.214334 
1 1 1 -39 11 13 o 36.43366 4.547040 166.7825       38.38781 219.4584       55.40444 118.1465       53.23749 42.42978 5.397237 30.43755 7.319298 11.99223       9.094080 
1 1 1 -39 11 14 o 110.0229 2.567602 1472.005       68.26489 1384.346       96.23264 1560.796       96.85262 106.7102 3.727471 113.3356 3.532178 -6.625465      5.135204 
1 1 1 -39 11 15 o 78.00072 2.729478 741.5796       51.48246 757.8675       72.22042 724.7513       73.40850 78.88266 3.784218 77.11877 3.934449 1.763885       5.458955 
1 1 1 -39 11 16 o 74.50871 2.776410 676.7532       49.97723 729.7603       72.15010 627.8604       69.29339 77.32102 3.856888 71.69640 3.994773 5.624626       5.552819 
1 1 1 -39 11 17 o 77.35738 4.031891 720.0947       65.83232 697.9280       75.85477 787.7454       132.5165 75.45856 4.155010 79.25620 6.910895 -3.797638      8.063782 
1 1 1 -39 11 18 o 47.58560 5.808186 343.2342       46.90083 369.1704       51.90960 227.9595       109.4362 54.82706 3.913366 40.34415 10.93735 14.48291       11.61637 
1 1 1 -39 11 19 o 51.36602 5.248897 353.3217       54.41732 362.4968       63.44319 327.7811       105.8506 53.92348 4.863006 48.80856 9.303486 5.114925       10.49779 
1 1 1 -39 11 20 o 40.69382 6.613359 215.4176       65.11077 215.4176       65.11077 0.000000       0.000000 40.69382 6.613359 ?        ?        ?              ?        
1 1 1 -39 13 1  o 219.2966 3.275926 5830.106       173.7905 5887.008       247.8914 5775.104       243.7155 220.3469 4.649992 218.2463 4.615663 2.100586       6.551852 
1 1 1 -39 13 2  o 216.6333 3.266392 5688.520       171.1768 5769.916       244.3778 5610.113       239.8468 218.1533 4.630178 215.1133 4.608549 3.039978       6.532784 
1 1 1 -39 13 3  o 218.8904 4.649478 5808.969       246.2256 0.000000       0.000000 5808.969       246.2256 ?        ?        218.8904 4.649478 ?              ?        
1 1 1 -39 13 4  o 351.3046 4.636145 14980.80       393.7482 15385.57       570.3921 14612.32       544.2178 355.8163 6.625906 346.7928 6.486349 9.023499       9.272289 
1 1 1 -39 13 5  o 110.6902 2.686758 1481.649       71.88306 1415.403       99.12713 1555.120       104.3932 108.0860 3.790711 113.2943 3.808568 -5.208313      5.373517 
1 1 1 -39 13 6  o 105.6540 2.683866 1351.305       68.55488 1281.547       95.51246 1425.430       98.45706 102.8422 3.838720 108.4659 3.751903 -5.623657      5.367732 
1 1 1 -39 13 7  o 42.05537 4.626285 220.1133       44.55682 292.7234       64.77306 154.8926       61.38878 49.10348 5.452302 35.00725 7.475456 14.09623       9.252569 
1 1 1 -39 13 8  f 204.7334 4.469185 5084.091       221.3702 0.000000       0.000000 5084.091       221.3702 ?        ?        204.7334 4.469185 ?              ?        
1 1 1 -39 13 9  o 138.7165 2.690524 2333.069       90.27824 2336.724       126.4858 2329.274       128.8937 138.8305 3.765777 138.6026 3.843776 0.2279205      5.381049 
1 1 1 -39 13 10 o 36.11999 4.872344 165.3783       41.13650 138.5000       61.22185 187.5018       55.54340 32.99637 7.793303 39.24361 5.850072 -6.247242      9.744687 
1 1 1 -39 13 11 o 134.2245 2.652721 2186.387       86.14353 2196.912       121.8893 2175.885       121.7615 134.5480 3.744433 133.9010 3.758581 0.6470490      5.305442 
1 1 1 -39 13 12 o 83.42044 2.738870 845.8681       55.25010 822.8539       78.57912 868.3697       77.69917 82.29080 3.946877 84.55007 3.798395 -2.259270      5.477741 
1 1 1 -39 13 13 o 74.56828 2.939680 678.7601       52.89024 631.0762       75.56175 724.5640       74.05714 71.97240 4.339441 77.16415 3.966880 -5.191750      5.879361 
1 1 1 -39 13 14 o 59.95266 3.321744 439.3932       48.17484 443.5449       68.79950 435.3995       67.47871 60.22721 4.721611 59.67811 4.673577 0.5490990      6.643488 
1 1 1 -39 13 15 o 181.4838 4.152710 4025.967       182.3358 4025.967       182.3358 0.000000       0.000000 181.4838 4.152710 ?        ?        ?              ?        
1 1 1 -39 13 16 o 17.39399 5.210444 5.549412       37.37766 8.075279       58.55122 3.812045       48.55975 18.30285 7.721830 16.48513 6.997734 1.817720       10.42089 
1 1 1 -39 13 17 o 130.4735 3.814896 2087.986       120.4224 0.000000       0.000000 2087.986       120.4224 ?        ?        130.4735 3.814896 ?              ?        
1 1 1 -39 13 18 o 45.35614 4.114280 262.7225       44.37111 233.3426       66.65714 286.0992       59.45850 42.84748 6.430120 47.86479 5.134469 -5.017303      8.228560 
1 1 1 -39 13 19 o 26.39727 6.072669 91.49664       43.76805 110.7794       69.58934 78.87670       56.29711 28.31354 9.018550 24.48101 8.134801 3.832529       12.14534 
1 1 1 -39 13 20 o 44.99944 6.314628 266.2590       68.74755 266.2590       68.74755 0.000000       0.000000 44.99944 6.314628 ?        ?        ?              ?        
1 1 1 -39 15 1  o 92.11673 2.916428 1028.805       64.83911 934.6676       90.50391 1128.072       92.93720 87.78080 4.261529 96.45266 3.982658 -8.671860      5.832855 
1 1 1 -39 15 2  o 161.6727 4.127483 3169.646       161.4449 0.000000       0.000000 3169.646       161.4449 ?        ?        161.6727 4.127483 ?              ?        
1 1 1 -39 15 3  o 216.1625 3.270722 5650.943       170.7417 5986.657       250.8367 5361.099       233.0712 222.1191 4.667699 210.2058 4.582912 11.91331       6.541445 
1 1 1 -39 15 4  o 197.5871 3.117567 4730.591       148.9163 4607.234       205.7400 4866.332       215.8203 194.8903 4.363412 200.2839 4.453935 -5.393616      6.235135 
1 1 1 -39 15 5  o 144.0808 2.781412 2514.997       96.91622 2433.086       134.8766 2602.435       139.3535 141.6572 3.935460 146.5045 3.931560 -4.847260      5.562824 
1 1 1 -39 15 6  o 116.8671 3.804586 1656.048       107.5727 1656.048       107.5727 0.000000       0.000000 116.8671 3.804586 ?        ?        ?              ?        
1 1 1 -39 15 7  o 130.4980 3.202865 2111.276       98.85624 2358.934       132.0364 1795.360       149.1260 139.4515 3.913527 121.5445 5.071261 17.90699       6.405730 
1 1 1 -39 15 8  o 48.60046 4.556468 309.5884       47.68929 171.1142       67.85999 444.7093       67.03327 36.69661 7.878791 60.50430 4.579329 -23.80769      9.112936 
1 1 1 -39 15 9  o 95.95335 2.792344 1119.921       64.69624 1172.512       90.23886 1064.298       92.80365 98.28888 3.794783 93.61781 4.097361 4.671066       5.584689 
1 1 1 -39 15 10 o 138.6414 2.723926 2334.302       91.35591 2311.207       127.9814 2358.296       130.4474 137.9449 3.834768 139.3379 3.869580 -1.393066      5.447853 
1 1 1 -39 15 11 o 90.32720 2.831051 993.0614       61.82287 969.2931       88.43885 1015.776       86.45634 89.25807 4.095371 91.39633 3.909901 -2.138260      5.662102 
1 1 1 -39 15 12 o 25.92278 5.750406 79.44628       40.81228 110.6335       61.22584 54.50743       54.75011 29.39588 8.264257 22.44967 7.998171 6.946203       11.50081 
1 1 1 -39 15 13 o 84.53706 2.928390 870.7646       59.82363 903.7535       87.21076 841.4458       82.21672 86.03775 4.189660 83.03636 4.092508 3.001389       5.856780 
1 1 1 -39 15 14 o 57.60171 3.633575 408.2077       50.60467 405.8263       72.75988 410.4391       70.42867 57.42041 5.237492 57.78300 5.037872 -0.3625832     7.267150 
1 1 1 -39 15 15 o 31.02228 5.787316 127.3571       43.90923 120.1513       66.71045 132.8651       58.32496 30.22869 8.670792 31.81588 7.667431 -1.587193      11.57463 
1 1 1 -39 15 16 o 76.25572 3.091558 701.9252       56.38191 867.8532       86.53740 579.5363       74.32159 83.96247 4.260066 68.54898 4.481379 15.41349       6.183116 
1 1 1 -39 15 17 o 47.80730 4.187547 292.3764       47.51459 261.5226       72.01122 316.1664       63.23290 45.31530 6.568301 50.29931 5.196115 -4.984009      8.375093 
1 1 1 -39 15 18 o 22.97732 5.488435 52.43179       45.48620 -51.51954      71.73467 122.3323       58.82397 16.14957 7.523405 29.80508 7.993126 -13.65551      10.97687 
1 1 1 -39 15 19 o 59.02894 5.180528 445.1944       73.98460 0.000000       0.000000 445.1944       73.98460 ?        ?        59.02894 5.180528 ?              ?        
1 1 1 -39 15 20 o 24.50779 10.93637 47.88816       131.9077 47.88816       131.9077 0.000000       0.000000 24.50779 10.93637 ?        ?        ?              ?        
1 1 1 -39 17 1  o 117.0725 2.740346 1655.393       77.41414 1543.817       104.9986 1788.282       114.5893 112.7750 3.848297 121.3701 3.902384 -8.595093      5.480692 
1 1 1 -39 17 2  o 102.1806 2.808109 1267.306       69.41115 1239.268       97.52219 1296.091       98.81496 101.0338 3.989649 103.3275 3.952796 -2.293755      5.616217 
1 1 1 -39 17 3  f 143.4053 3.903660 2496.173       135.4377 2496.173       135.4377 0.000000       0.000000 143.4053 3.903660 ?        ?        ?              ?        
1 1 1 -39 17 4  o 282.7780 3.922703 9739.810       268.3629 9802.486       381.1673 9678.203       377.8987 283.6778 5.553771 281.8781 5.541301 1.799713       7.845406 
1 1 1 -39 17 5  o 43.96719 4.729005 243.6356       47.86326 184.9742       67.92574 301.4858       67.45447 38.19328 7.618099 49.74111 5.605223 -11.54783      9.458011 
1 1 1 -39 17 6  o 92.88107 2.836182 1047.756       63.73030 1035.310       90.00272 1060.271       90.25432 92.32619 4.029289 93.43596 3.992562 -1.109764      5.672364 
1 1 1 -39 17 7  o 62.05370 3.489095 471.2202       52.12247 431.4160       75.21979 507.9861       72.29195 59.49540 5.225723 64.61201 4.624603 -5.116611      6.978190 
1 1 1 -39 17 8  o 138.6655 4.219058 2366.394       140.5332 2512.790       191.6995 2196.312       206.6270 143.4398 5.523939 133.8912 6.378706 9.548615       8.438115 
1 1 1 -39 17 9  o 20.80342 5.552617 27.59414       42.51495 -30.51528      63.64511 74.41789       57.13139 16.64964 7.499832 24.95719 8.190161 -8.307547      11.10523 
1 1 1 -39 17 10 o 100.6968 4.021855 1235.200       97.98156 1235.200       97.98156 0.000000       0.000000 100.6968 4.021855 ?        ?        ?              ?        
1 1 1 -39 17 11 o 23.48132 5.944925 59.61983       43.69094 32.63818       68.29892 78.30930       56.84313 21.67588 8.646684 25.28677 8.161090 -3.610886      11.88985 
1 1 1 -39 17 12 o 96.48963 2.929753 1139.258       68.28850 1106.384       98.42922 1169.765       94.82086 95.11356 4.277395 97.86571 4.004710 -2.752151      5.859506 
1 1 1 -39 17 13 o 84.37599 3.092216 878.5665       62.66358 773.9567       89.88567 977.4836       87.40574 79.37520 4.680620 89.37679 4.042154 -10.00159      6.184433 
1 1 1 -39 17 14 o 59.14101 3.900742 429.3223       54.95295 545.8134       82.09464 334.7495       73.96933 66.43864 5.107304 51.84338 5.897338 14.59526       7.801484 
1 1 1 -39 17 15 o 67.16353 3.525026 557.4120       57.10435 590.0095       84.88271 530.4615       77.18107 68.91307 5.091143 65.41398 4.876833 3.499092       7.050053 
1 1 1 -39 17 16 o 30.36578 6.263109 120.1182       48.48019 162.2617       77.44503 92.96157       62.16785 34.19887 9.171396 26.53269 8.531802 7.666174       12.52622 
1 1 1 -39 17 17 o 31.84703 6.311333 138.3680       51.49722 190.8121       78.09952 98.02661       68.49763 36.79181 8.876179 26.90225 8.974695 9.889561       12.62267 
1 1 1 -39 17 18 o 20.43620 6.005012 27.75187       50.75877 -14.27921      78.73962 57.63783       66.39597 18.51566 8.341002 22.35673 8.641085 -3.841076      12.01002 
1 1 1 -39 17 19 o 37.20471 8.207691 219.2045       75.37870 332.1832       143.5647 176.2046       88.56921 41.64716 12.91064 32.76226 10.13806 8.884899       16.41538 
1 1 1 -39 19 1  o 61.30532 3.586051 460.5300       52.92746 444.7646       78.03137 473.9636       72.02980 60.29623 5.349051 62.31441 4.777728 -2.018177      7.172101 
1 1 1 -39 19 2  o 24.95775 5.245254 44.09349       43.15188 157.3766       65.51721 -42.69921      57.34749 34.98683 7.924047 14.92867 6.874607 20.05815       10.49051 
1 1 1 -39 19 3  o 89.83574 3.021543 982.7477       65.64429 943.8478       92.16202 1022.805       93.52303 88.02383 4.327623 91.64764 4.217887 -3.623802      6.043087 
1 1 1 -39 19 4  o 23.82867 6.056026 60.53392       44.68514 43.93931       69.20175 72.40143       58.52119 22.85746 8.825359 24.79988 8.295471 -1.942421      12.11205 
1 1 1 -39 19 5  o 88.47006 2.988434 954.8995       63.84817 923.6573       92.15997 983.7347       88.53876 87.05424 4.375726 89.88589 4.071360 -2.831657      5.976868 
1 1 1 -39 19 6  o 94.96024 2.857897 1100.412       65.49085 1014.077       92.87190 1185.810       92.36628 91.22099 4.208112 98.69948 3.868088 -7.478485      5.715795 
1 1 1 -39 19 7  o 133.4076 2.832024 2167.417       91.32043 2038.942       127.5915 2302.351       130.7600 129.3390 4.077463 137.4762 3.931379 -8.137238      5.664048 
1 1 1 -39 19 8  o 63.10099 5.268713 488.3638       80.43462 488.3638       80.43462 0.000000       0.000000 63.10099 5.268713 ?        ?        ?              ?        
1 1 1 -39 19 9  o 108.5713 2.831248 1436.704       74.29642 1351.402       103.1164 1528.795       107.1412 105.2133 4.050930 111.9293 3.956491 -6.716057      5.662496 
1 1 1 -39 19 10 o 94.94424 2.978722 1101.951       68.28351 1200.459       97.96132 1008.857       95.23147 99.09996 4.085816 90.78854 4.335580 8.311424       5.957445 
1 1 1 -39 19 11 o 76.95262 3.264546 726.8223       60.52496 818.5840       87.11144 641.1824       84.15550 81.69690 4.407246 72.20835 4.817179 9.488548       6.529091 
1 1 1 -39 19 12 o 91.15376 3.061202 1020.600       67.50145 1012.391       94.56709 1029.128       96.38170 90.78776 4.305369 91.51975 4.352887 -0.7319946     6.122404 
1 1 1 -39 19 13 o 61.49364 3.743157 468.2531       55.56837 512.2672       81.25314 429.5793       76.16454 64.21793 5.229756 58.76934 5.356730 5.448597       7.486314 
1 1 1 -39 19 14 o 113.4191 4.188340 1588.194       114.9292 1588.194       114.9292 0.000000       0.000000 113.4191 4.188340 ?        ?        ?              ?        
1 1 1 -39 19 15 o 64.60323 3.795341 521.0800       59.04228 594.3315       87.94167 460.9648       79.66702 68.73914 5.287963 60.46733 5.445722 8.271801       7.590681 
1 1 1 -39 19 16 o 76.12210 3.675392 734.1387       67.57970 679.7183       94.29070 791.6213       96.90726 73.13400 5.329019 79.11021 5.063158 -5.976212      7.350783 
1 1 1 -39 19 17 o 23.91805 6.715607 62.14433       60.64661 14.64518       89.17786 103.0135       82.72025 20.95584 9.187078 26.88026 9.797709 -5.924419      13.43121 
1 1 1 -39 19 18 o 38.32692 7.032215 239.6237       65.78528 244.1404       92.67586 235.0364       93.39719 38.81369 9.852082 37.84015 10.03716 0.9735336      14.06443 
1 1 1 -39 21 1  o 142.9937 2.904730 2498.979       100.4880 2516.316       142.0112 2481.592       142.2122 143.4966 4.090520 142.4908 4.125224 1.005798       5.809460 
1 1 1 -39 21 2  o 32.97813 6.142516 144.6877       49.74421 121.1897       77.42596 161.2049       64.91419 30.73307 9.473710 35.22319 7.821178 -4.490126      12.28503 
1 1 1 -39 21 3  o 200.1013 3.202171 4899.709       154.9850 5033.578       221.9784 4772.379       216.4885 202.7687 4.524884 197.4339 4.532220 5.334869       6.404342 
1 1 1 -39 21 4  o 40.42354 5.178174 204.0692       48.28741 221.5221       78.46136 193.4288       61.26350 41.33829 8.134849 39.50880 6.409228 1.829491       10.35635 
1 1 1 -39 21 5  o 123.9106 2.871126 1871.112       85.96064 1990.455       125.2557 1764.862       118.1855 127.6370 4.056192 120.1841 4.064574 7.452934       5.742252 
1 1 1 -39 21 6  o 18.91725 5.695645 -8.153509      46.16785 36.49219       72.67469 -38.36200      59.78027 22.36524 8.920095 15.46925 7.084730 6.895994       11.39129 
1 1 1 -39 21 7  o 131.1078 2.948387 2102.957       93.48279 2128.382       134.4858 2079.187       130.0357 131.8574 4.215699 130.3581 4.123085 1.499283       5.896774 
1 1 1 -39 21 8  o 31.69706 6.357529 129.3743       51.57240 167.0627       76.80306 98.42643       69.59701 35.47550 8.949193 27.91861 9.032421 7.556889       12.71506 
1 1 1 -39 21 9  o 50.41204 4.522762 318.1379       54.87458 310.6324       81.25566 324.4312       74.40483 49.77392 6.747602 51.05016 6.024232 -1.276241      9.045525 
1 1 1 -39 21 10 o 100.7070 3.018394 1246.770       73.53313 1274.799       104.6749 1219.461       103.3214 101.8319 4.248705 99.58216 4.288510 2.249725       6.036788 
1 1 1 -39 21 11 o 112.5930 4.242018 1561.901       115.5544 0.000000       0.000000 1561.901       115.5544 ?        ?        112.5930 4.242018 ?              ?        
1 1 1 -39 21 12 o 25.29379 6.565647 74.68411       52.79799 64.03404       78.25645 83.58234       71.53121 24.60616 9.414351 25.98143 9.154282 -1.375271      13.13129 
1 1 1 -39 21 13 o 67.16571 3.757963 556.2725       60.47534 658.0410       93.48154 483.0278       79.30615 72.33428 5.341698 61.99715 5.287287 10.33714       7.515925 
1 1 1 -39 21 14 o 55.63411 4.628235 401.2153       62.29436 404.9845       88.31957 397.4837       87.87715 55.90274 6.530126 55.36547 6.560465 0.5372620      9.256471 
1 1 1 -39 21 15 o 24.82566 6.664238 75.36715       57.09851 37.53240       84.39966 107.2979       77.53531 22.17033 9.307750 27.48100 9.540131 -5.310667      13.32848 
1 1 1 -39 21 16 o 48.66161 5.831925 340.9584       66.31969 345.0083       88.37686 335.7380       100.3381 49.97238 7.309812 47.35083 9.089117 2.621548       11.66385 
1 1 1 -39 23 1  o 43.14825 5.356394 242.1444       53.98858 225.6801       81.02345 255.2922       72.40428 41.24997 8.403989 45.04654 6.643554 -3.796566      10.71279 
1 1 1 -39 23 2  o 103.5699 4.265700 1318.430       106.8873 0.000000       0.000000 1318.430       106.8873 ?        ?        103.5699 4.265700 ?              ?        
1 1 1 -39 23 3  o 106.2572 3.050310 1388.110       78.38625 1384.295       112.3177 1391.732       109.4478 106.0902 4.375932 106.4242 4.250739 -0.3339844     6.100620 
1 1 1 -39 23 4  o 78.77429 3.399913 768.2734       64.58274 711.0989       92.47027 822.7211       90.23820 75.82639 5.040567 81.72221 4.564025 -5.895821      6.799827 
1 1 1 -39 23 5  o 66.17461 3.854100 549.6347       60.98333 470.4955       88.12729 622.3511       84.47548 61.39531 5.932980 70.95390 4.920985 -9.558594      7.708200 
1 1 1 -39 23 6  o 23.35058 6.526985 46.76561       54.53944 48.92955       78.74994 44.77097       75.60688 23.65931 9.332858 23.04185 9.127095 0.6174526      13.05397 
1 1 1 -39 23 7  o 24.67513 5.533451 40.47500       51.93761 -112.9612      78.73550 158.6717       69.10496 14.96740 7.224983 34.38286 8.383073 -19.41547      11.06690 
1 1 1 -39 23 8  o 67.78760 3.763589 575.9849       61.32485 510.5275       87.65807 638.7316       85.82388 63.85723 5.673872 71.71796 4.946271 -7.860722      7.527179 
1 1 1 -39 23 9  o 56.70557 4.258083 399.4290       57.90368 479.9446       87.88914 337.6779       76.96938 61.72919 5.884944 51.68195 6.155690 10.04725       8.516167 
1 1 1 -39 23 10 o 30.72282 6.539109 122.2941       54.16013 184.6372       83.02532 76.11288       71.45770 36.33609 9.380143 25.10955 9.113326 11.22654       13.07822 
1 1 1 -39 23 11 o 47.32313 5.281156 297.8527       58.60445 283.1462       86.90221 310.1195       79.36774 45.63955 8.170232 49.00671 6.694007 -3.367157      10.56231 
1 1 1 -39 23 12 o 21.13607 6.281390 25.25435       55.36861 -5.505091      84.22315 48.66598       73.47813 19.84911 8.805126 22.42302 8.960646 -2.573908      12.56278 
1 1 1 -39 23 13 o 50.86906 5.564305 363.4668       64.83006 417.5994       87.73830 298.3706       96.21384 56.35101 6.435543 45.38710 9.079083 10.96391       11.12861 
1 1 1 -39 23 14 o 29.87856 7.224289 141.0417       63.24313 155.4854       86.30918 124.2947       92.93668 31.34521 10.05000 28.41191 10.38070 2.933294       14.44858 
1 1 1 -39 23 15 o 22.90087 6.938587 53.19899       68.24982 28.32981       90.47153 86.04269       103.9698 20.92448 9.211409 24.87726 10.37911 -3.952780      13.87717 
1 1 1 -39 25 3  o 25.44104 7.881931 8.295559       94.83475 58.26294       122.6957 -65.85366      149.4649 27.09869 11.28790 23.78339 11.00375 3.315296       15.76386 
1 1 1 -39 25 4  o 42.71398 8.776288 291.9092       100.0040 344.7948       122.6999 187.2695       172.5932 49.09519 10.63743 36.33278 13.96202 12.76241       17.55258 
1 1 1 -39 25 5  o 27.78263 6.650815 102.3172       55.60910 56.00491       86.47027 134.9793       72.61745 24.36092 9.725589 31.20435 9.074486 -6.843437      13.30163 
1 1 1 -39 25 6  o 51.37173 5.328407 358.4654       62.12180 276.6276       92.03288 426.9594       84.19622 44.81684 8.801964 57.92661 6.007755 -13.10977      10.65681 
1 1 1 -39 25 7  o 46.83470 5.603023 295.1342       61.46780 282.0745       91.66072 305.8068       82.86104 45.20288 8.697104 48.46652 7.066530 -3.263634      11.20605 
1 1 1 -39 25 8  o 43.03964 5.926897 253.3737       60.12059 332.2835       87.84596 183.8495       82.45644 50.28661 7.220497 35.79266 9.400895 14.49395       11.85379 
1 1 1 -39 25 9  o 19.71790 6.141201 0.2175874      56.91429 -7.928148      83.99447 7.132448       77.38864 19.63337 8.746582 19.80242 8.622916 -0.1690464     12.28240 
1 1 1 -39 25 10 f 74.74386 3.888632 718.3692       70.27589 724.6246       97.99551 711.7460       100.8356 75.16685 5.388620 74.32087 5.607904 0.8459778      7.777263 
1 1 1 -39 25 11 o 73.97962 3.998601 710.8398       71.46513 668.4277       98.10549 758.7897       104.3139 71.62953 5.661075 76.32971 5.648670 -4.700180      7.997202 
1 1 1 -39 25 12 o 55.27223 5.075899 423.6822       67.85661 420.1422       94.69118 427.4191       97.28902 55.10985 7.101955 55.43461 7.254050 -0.3247566     10.15180 
1 1 1 -38 0  1  o 92.25881 2.393323 1034.096       75.31791 1034.096       75.31791 1034.096       75.31791 92.25881 3.384670 92.25881 3.384670 0.000000       0.000000 
1 1 1 -38 0  2  o 356.5034 4.649939 15406.39       566.7543 15406.39       566.7543 15406.39       566.7543 356.5034 6.576007 356.5034 6.576007 0.000000       0.000000 
1 1 1 -38 0  3  o 69.10860 2.575959 582.7309       60.52343 582.7309       60.52343 582.7309       60.52343 69.10860 3.642956 69.10860 3.642956 0.000000       0.000000 
1 1 1 -38 0  4  o 14.10446 5.662761 31.27391       42.39447 31.27391       42.39447 31.27391       42.39447 14.10446 8.008353 14.10446 8.008353 0.000000       0.000000 
1 1 1 -38 0  5  o 577.9904 7.231499 40558.07       1429.090 40558.07       1429.090 40558.07       1429.090 577.9904 10.22688 577.9904 10.22688 0.000000       0.000000 
1 1 1 -38 0  6  o 335.8078 4.413215 13669.81       506.6694 13669.81       506.6694 13669.81       506.6694 335.8078 6.241229 335.8078 6.241229 0.000000       0.000000 
1 1 1 -38 0  7  o 453.1929 5.757903 24917.43       892.1716 24917.43       892.1716 24917.43       892.1716 453.1929 8.142904 453.1929 8.142904 0.000000       0.000000 
1 1 1 -38 0  8  o 114.0961 3.268846 1583.581       127.1333 1583.581       127.1333 1583.581       127.1333 114.0961 4.622846 114.0961 4.622846 0.000000       0.000000 
1 1 1 -38 0  9  o 57.92070 2.457780 410.3657       48.30563 410.3657       48.30563 410.3657       48.30563 57.92070 3.475826 57.92070 3.475826 0.000000       0.000000 
1 1 1 -38 0  10 f 63.91880 2.378460 498.5392       51.68761 498.5392       51.68761 498.5392       51.68761 63.91880 3.363651 63.91880 3.363651 0.000000       0.000000 
1 1 1 -38 0  11 o 49.77654 2.847019 305.7681       47.75797 305.7681       47.75797 305.7681       47.75797 49.77654 4.026293 49.77654 4.026293 0.000000       0.000000 
1 1 1 -38 0  12 o 10.70733 5.063578 -18.57228      51.25291 -18.57228      51.25291 -18.57228      51.25291 10.70733 7.160980 10.70733 7.160980 0.000000       0.000000 
1 1 1 -38 0  13 o 17.85389 6.081435 56.86829       43.06331 56.86829       43.06331 56.86829       43.06331 17.85389 8.600448 17.85389 8.600448 0.000000       0.000000 
1 1 1 -38 0  14 o 77.72793 2.470363 735.8917       65.39630 735.8917       65.39630 735.8917       65.39630 77.72793 3.493621 77.72793 3.493621 0.000000       0.000000 
1 1 1 -38 0  15 o 150.5433 2.571547 2749.880       132.2819 2749.880       132.2819 2749.880       132.2819 150.5433 3.636716 150.5433 3.636716 0.000000       0.000000 
1 1 1 -38 0  16 o 264.3781 3.643440 8495.374       329.2928 8495.374       329.2928 8495.374       329.2928 264.3781 5.152602 264.3781 5.152602 0.000000       0.000000 
1 1 1 -38 0  17 o 13.64310 5.488492 29.68476       39.93059 29.68476       39.93059 29.68476       39.93059 13.64310 7.761900 13.64310 7.761900 0.000000       0.000000 
1 1 1 -38 0  18 o 20.16274 5.742955 69.13145       38.61687 69.13145       38.61687 69.13145       38.61687 20.16274 8.121765 20.16274 8.121765 0.000000       0.000000 
1 1 1 -38 0  19 o 37.16355 2.969719 174.3824       36.51877 174.3824       36.51877 174.3824       36.51877 37.16355 4.199817 37.16355 4.199817 0.000000       0.000000 
1 1 1 -38 2  1  o 321.9543 4.926898 12544.18       331.4191 12518.13       382.0182 12623.44       666.3654 321.4847 4.911582 322.4238 8.542461 -0.9390564     9.853795 
1 1 1 -38 2  2  o 316.4691 4.840491 12205.93       323.2114 12271.60       375.1122 12016.66       636.8433 318.3138 4.870835 314.6244 8.366385 3.689362       9.680983 
1 1 1 -38 2  3  o 132.9384 2.850644 2092.351       78.36729 2050.243       89.49335 2230.815       162.2859 130.1606 2.841902 135.7163 4.942496 -5.555771      5.701287 
1 1 1 -38 2  4  o 26.64897 4.455925 110.1053       30.27638 145.1119       34.88819 3.328971       60.93137 34.61987 4.165341 18.67806 7.878516 15.94181       8.911851 
1 1 1 -38 2  5  o 164.5394 3.083444 3305.720       107.1602 3335.114       124.5387 3221.892       210.3149 166.0006 3.100933 163.0782 5.330547 2.922394       6.166889 
1 1 1 -38 2  6  o 328.9092 4.977871 13252.75       347.8717 13398.33       405.8385 12849.49       675.4305 332.5688 5.043935 325.2496 8.583445 7.319183       9.955742 
1 1 1 -38 2  7  o 313.0168 4.767728 12034.74       318.2506 12207.80       372.3645 11565.74       613.0068 317.4505 4.848306 308.5832 8.210899 8.867249       9.535457 
1 1 1 -38 2  8  o 236.5846 4.087267 6852.026       222.8361 7011.138       277.6369 6563.950       373.5762 240.5652 4.770260 232.6039 6.638346 7.961319       8.174535 
1 1 1 -38 2  9  o 111.1520 2.681551 1536.615       63.01739 1582.292       73.68698 1412.255       121.5867 114.3394 2.663743 107.9645 4.654817 6.374908       5.363101 
1 1 1 -38 2  10 o 147.9578 2.922477 2618.754       89.81825 2588.065       102.9900 2716.240       183.5589 146.2199 2.911294 149.6956 5.068319 -3.475723      5.844954 
1 1 1 -38 2  11 o 159.3917 3.043740 3119.943       102.4951 3165.279       119.3125 2992.267       200.2263 161.6947 3.049917 157.0887 5.268342 4.605988       6.087481 
1 1 1 -38 2  12 o 219.6971 4.528248 5861.945       240.6886 5842.951       340.0070 5881.023       340.7644 219.3399 6.407196 220.0542 6.400621 -0.7143555     9.056496 
1 1 1 -38 2  13 o 244.0556 3.428327 7224.424       202.4287 7233.849       286.6935 7215.054       285.8632 244.2139 4.852273 243.8974 4.844498 0.3164368      6.856655 
1 1 1 -38 2  14 o 54.56396 2.825728 360.2635       37.25348 387.0520       53.93916 335.8303       51.51328 56.50110 3.945890 52.62681 4.045850 3.874294       5.651455 
1 1 1 -38 2  15 o 128.0949 2.436594 1987.797       75.47616 2053.937       108.7731 1926.382       104.8157 130.1472 3.454494 126.0427 3.437212 4.104492       4.873188 
1 1 1 -38 2  16 o 43.02601 3.092391 225.4075       31.84904 270.0293       45.99632 184.3082       44.14350 47.13876 4.033134 38.91325 4.688856 8.225506       6.184783 
1 1 1 -38 2  17 o 18.21012 4.749528 32.13388       27.56525 27.88207       37.47178 37.14823       40.69352 17.42495 6.549794 18.99530 6.879846 -1.570343      9.499057 
1 1 1 -38 2  18 o 78.01590 2.336351 739.0582       43.98825 816.4414       63.76967 668.8136       60.75719 81.91501 3.217721 74.11678 3.388276 7.798225       4.672702 
1 1 1 -38 2  19 o 38.76870 2.900563 184.6362       27.10903 175.4355       39.39305 192.9133       37.36333 37.82433 4.304731 39.71307 3.888748 -1.888737      5.801126 
1 1 1 -38 4  1  o 146.5297 2.992631 2471.643       88.87049 2372.759       100.1602 2837.597       192.6838 140.0180 2.956712 153.0414 5.203962 -13.02338      5.985262 
1 1 1 -38 4  2  o 335.2094 5.108274 13581.16       356.7262 13532.97       410.4631 13729.92       721.1427 334.2386 5.075926 336.1802 8.866388 -1.941681      10.21655 
1 1 1 -38 4  3  o 327.2959 4.986418 13028.67       343.2094 13065.39       397.3902 12920.88       680.8661 328.4228 5.001285 326.1691 8.628129 2.253693       9.972836 
1 1 1 -38 4  4  o 370.9421 5.617957 16371.30       425.4715 16093.82       483.5327 17323.02       895.5101 364.4501 5.483848 377.4342 9.806791 -12.98410      11.23591 
1 1 1 -38 4  5  o 315.7231 4.815447 12238.88       323.8478 12409.48       378.6275 11773.94       625.0690 320.0721 4.889472 311.3742 8.297421 8.697906       9.630895 
1 1 1 -38 4  6  o 199.9460 3.448999 4912.687       146.3743 4990.869       170.8775 4697.204       283.6847 203.0465 3.478461 196.8454 5.956734 6.201080       6.897997 
1 1 1 -38 4  7  o 215.4642 3.606097 5702.693       164.9246 5789.409       192.5036 5463.415       319.7724 218.6738 3.638645 212.2546 6.227037 6.419220       7.212193 
1 1 1 -38 4  8  o 87.65310 2.862559 897.4767       56.63951 843.7887       67.80628 1021.416       103.0233 83.48544 3.357043 91.82076 4.637589 -8.335327      5.725117 
1 1 1 -38 4  9  o 147.2914 2.924136 2602.003       89.51144 2577.859       102.7235 2678.168       182.4512 145.9336 2.909460 148.6492 5.073198 -2.715652      5.848273 
1 1 1 -38 4  10 o 331.2023 5.053345 13306.92       349.7649 13289.06       403.3227 13361.09       702.4164 331.1017 5.034879 331.3030 8.763286 -0.2013550     10.10669 
1 1 1 -38 4  11 o 112.4337 2.803749 1490.581       64.21311 1457.235       72.80479 1607.377       136.2562 109.7191 2.742681 115.1483 4.890985 -5.429161      5.607498 
1 1 1 -38 4  12 o 182.2262 3.281704 4021.290       144.6813 4021.290       144.6813 0.000000       0.000000 182.2262 3.281704 ?        ?        ?              ?        
1 1 1 -38 4  13 o 185.6988 3.353059 4186.199       130.0771 4189.541       150.0361 4176.086       261.0123 185.9754 3.334556 185.4222 5.818311 0.5531616      6.706117 
1 1 1 -38 4  14 o 81.95207 3.091865 772.0439       55.39605 720.2684       64.62250 915.5265       107.5774 77.08957 3.464861 86.81458 5.121842 -9.725006      6.183731 
1 1 1 -38 4  15 o 124.4243 2.447374 1877.534       73.66985 1853.497       103.8357 1901.896       104.5376 123.6215 3.471766 125.2271 3.450420 -1.605637      4.894748 
1 1 1 -38 4  16 o 36.55276 3.704803 166.1018       31.46926 131.6738       43.95802 202.2957       45.07138 32.34256 5.832304 40.76297 4.570174 -8.420410      7.409606 
1 1 1 -38 4  17 o 27.10207 4.439780 93.15508       28.88108 121.7021       42.16890 67.93360       39.63665 30.99842 5.836933 23.20571 6.691548 7.792711       8.879560 
1 1 1 -38 4  18 o 57.47481 2.587033 402.6800       35.96857 410.3683       51.35907 395.2792       50.38929 58.01300 3.659228 56.93661 3.658005 1.076397       5.174066 
1 1 1 -38 4  19 o 13.88556 4.119175 2.100926       23.28810 15.48812       36.07608 -7.462889      30.49230 15.61226 6.264604 12.15886 5.350247 3.453400       8.238350 
1 1 1 -38 4  20 o 27.39310 5.107440 96.02225       32.60383 96.02225       32.60383 0.000000       0.000000 27.39310 5.107440 ?        ?        ?              ?        
1 1 1 -38 6  1  o 28.58242 4.318332 141.3715       36.32302 205.0254       40.87329 -97.71564      79.21458 41.14703 4.105809 16.01780 7.598309 25.12924       8.636663 
1 1 1 -38 6  2  o 380.3731 5.685770 17668.35       456.3355 17771.85       529.7437 17370.61       898.5081 382.9123 5.718263 377.8340 9.829211 5.078308       11.37154 
1 1 1 -38 6  3  o 53.94935 3.457954 332.6937       38.45159 316.1191       43.56913 391.0768       81.77128 51.10073 3.524110 56.79797 5.950667 -5.697243      6.915909 
1 1 1 -38 6  4  o 85.98927 2.897453 908.0421       51.45513 920.0396       59.21016 871.0292       103.9986 87.18927 2.806926 84.78926 5.069723 2.400009       5.794905 
1 1 1 -38 6  5  o 340.6582 5.224511 13772.60       362.0180 13515.63       410.6011 14669.84       767.2289 333.9871 5.081455 347.3294 9.130218 -13.34229      10.44902 
1 1 1 -38 6  6  f 27.82821 5.362851 95.21729       32.83427 95.92037       37.18738 92.73052       69.93698 27.61769 5.752329 28.03873 9.052701 -0.4210396     10.72570 
1 1 1 -38 6  7  o 96.61157 2.965372 1151.249       64.10883 1187.391       77.82606 1074.955       113.0746 99.03757 3.248050 94.18556 4.962247 4.852013       5.930744 
1 1 1 -38 6  8  o 147.1516 3.018036 2713.372       93.72260 2816.026       109.7378 2436.645       180.1750 152.5241 2.973825 141.7791 5.252670 10.74504       6.036073 
1 1 1 -38 6  9  o 280.3676 4.453095 9263.184       252.2514 9046.982       284.9952 10045.21       542.0256 273.2698 4.310659 287.4655 7.793487 -14.19568      8.906190 
1 1 1 -38 6  10 f 243.1934 3.969578 7199.841       202.5500 7226.177       234.3041 7121.951       402.9428 244.2429 3.965113 242.1439 6.878086 2.099030       7.939155 
1 1 1 -38 6  11 o 213.5774 3.866048 5574.434       189.3532 5664.155       234.2088 5405.116       321.7430 216.1779 4.478055 210.9769 6.303359 5.201065       7.732096 
1 1 1 -38 6  12 o 90.44286 2.978630 953.8785       53.87341 926.2852       60.53885 1058.894       118.1021 87.46623 2.860826 93.41947 5.225382 -5.953239      5.957260 
1 1 1 -38 6  13 o 107.8278 2.972523 1353.750       63.43164 1314.584       71.00053 1508.626       141.1888 104.1893 2.816672 111.4663 5.235450 -7.277084      5.945046 
1 1 1 -38 6  14 o 53.12049 4.453220 331.3344       47.87248 321.5094       54.05865 367.0434       103.0592 51.46386 4.341707 54.77711 7.776519 -3.313255      8.906440 
1 1 1 -38 6  15 o 123.4169 3.016210 1891.951       75.48810 1927.908       86.32755 1775.134       155.6015 126.1184 2.829233 120.7155 5.327807 5.402855       6.032420 
1 1 1 -38 6  16 o 23.81634 5.756883 48.23877       36.14444 28.98315       41.55891 108.0309       73.23312 18.12769 6.878505 29.50499 9.233253 -11.37730      11.51377 
1 1 1 -38 6  17 o 25.74822 4.588525 83.14160       28.76084 107.0542       43.24868 64.18169       38.51037 28.91696 6.355211 22.57948 6.620389 6.337481       9.177050 
1 1 1 -38 6  18 o 79.57826 2.402012 769.0685       46.14565 842.6060       67.37630 704.0965       63.33099 83.15691 3.348933 75.99961 3.444313 7.157303       4.804024 
1 1 1 -38 6  19 o 89.09954 3.399572 969.8184       73.28279 969.8184       73.28279 0.000000       0.000000 89.09954 3.399572 ?        ?        ?              ?        
1 1 1 -38 6  20 o 31.49262 5.759831 127.9826       42.26826 127.9826       42.26826 0.000000       0.000000 31.49262 5.759831 ?        ?        ?              ?        
1 1 1 -38 8  1  o 317.8169 4.869683 12408.29       329.6767 12578.19       385.4428 11945.27       636.3171 322.1776 4.944954 313.4561 8.390630 8.721497       9.739366 
1 1 1 -38 8  2  o 55.92680 3.828637 353.6254       39.95451 340.2080       43.79461 420.2261       97.57205 53.01028 3.414744 58.84333 6.853713 -5.833042      7.657275 
1 1 1 -38 8  3  o 159.7669 2.686239 3090.642       103.8165 3102.352       148.2540 3079.376       145.4242 160.0626 3.828375 159.4712 3.769225 0.5913239      5.372477 
1 1 1 -38 8  4  o 162.0970 2.714149 3181.664       106.4399 3161.178       150.0502 3202.413       151.0118 161.5718 3.838562 162.6222 3.838210 -1.050385      5.428298 
1 1 1 -38 8  5  o 146.3947 2.616441 2594.013       92.64697 2516.687       129.6786 2674.631       132.4093 144.1665 3.717932 148.6229 3.682394 -4.456390      5.232882 
1 1 1 -38 8  6  o 103.6737 2.450308 1301.428       61.45606 1292.024       87.18806 1310.714       86.63853 103.3009 3.488597 104.0466 3.441763 -0.7457352     4.900616 
1 1 1 -38 8  7  o 268.3738 3.691675 8725.988       239.6112 8547.922       333.3894 8916.245       344.6121 265.5469 5.189293 271.2008 5.252151 -5.653870      7.383349 
1 1 1 -38 8  8  o 242.1468 3.420751 7102.798       200.3332 7247.771       287.9727 6966.842       278.8741 244.5370 4.867484 239.7567 4.807676 4.780365       6.841502 
1 1 1 -38 8  9  o 77.57912 2.512303 729.4670       47.09332 715.0335       67.95129 742.8069       65.32628 76.83756 3.655290 78.32067 3.447539 -1.483109      5.024607 
1 1 1 -38 8  10 o 170.7159 3.916725 3530.701       161.7705 0.000000       0.000000 3530.701       161.7705 ?        ?        170.7159 3.916725 ?              ?        
1 1 1 -38 8  11 o 273.2116 4.340482 9267.970       254.4656 9517.848       299.8384 8624.628       481.1099 280.2060 4.422905 266.2173 7.469742 13.98865       8.680964 
1 1 1 -38 8  12 o 207.3888 3.641981 5226.698       156.2936 5232.401       179.4782 5208.804       317.9295 207.8063 3.569855 206.9713 6.349191 0.8350372      7.283961 
1 1 1 -38 8  13 o 62.00327 3.892564 449.5613       43.65906 440.8920       47.65704 494.8245       108.8950 60.31700 3.265765 63.68955 7.067037 -3.372551      7.785129 
1 1 1 -38 8  14 o 106.2246 3.103820 1378.570       64.49517 1384.090       72.46198 1357.525       141.4825 106.8730 2.802462 105.5761 5.539043 1.296913       6.207640 
1 1 1 -38 8  15 o 127.2160 3.049628 1896.014       76.46460 1845.743       85.52105 2096.371       170.7325 123.3687 2.865271 131.0633 5.384342 -7.694618      6.099256 
1 1 1 -38 8  16 o 96.57300 3.093810 1123.661       59.09173 1113.594       66.45438 1161.689       129.1611 95.77693 2.867876 97.36906 5.482877 -1.592133      6.187621 
1 1 1 -38 8  17 f 26.25920 5.843065 85.15919       35.87805 88.42910       39.66797 70.45806       84.11002 26.22730 6.324933 26.29109 9.826539 -0.6378746E-01 11.68613 
1 1 1 -38 8  18 o 79.37953 3.555881 833.4329       61.27314 932.6478       74.93092 633.1945       106.4501 87.40241 3.543524 71.35664 6.166084 16.04577       7.111761 
1 1 1 -38 8  19 o 13.45763 4.219409 -10.91222      27.06151 -10.04230      41.25011 -11.56950      35.85585 14.03593 6.197361 12.87932 5.727685 1.156613       8.438819 
1 1 1 -38 8  20 f 47.71735 2.973045 269.5764       33.43985 374.4694       53.41710 201.9782       42.88195 55.07106 4.009171 40.36363 4.391188 14.70743       5.946089 
1 1 1 -38 10 1  f 171.9612 2.827111 3581.615       117.6167 3561.978       165.7927 3601.511       166.8830 171.4868 3.996064 172.4356 4.000212 -0.9487915     5.654222 
1 1 1 -38 10 2  o 152.4423 2.705979 2814.501       99.79427 2803.987       141.7628 2824.829       140.5064 152.1590 3.850901 152.7257 3.802610 -0.5666504     5.411957 
1 1 1 -38 10 3  o 123.0153 2.561283 1826.509       76.10394 1708.606       104.3148 1960.675       111.2766 118.7846 3.629807 127.2459 3.614580 -8.461342      5.122566 
1 1 1 -38 10 4  o 157.5236 2.723014 2992.619       103.5465 2812.493       140.8766 3204.283       152.7121 152.3909 3.821005 162.6563 3.880612 -10.26541      5.446028 
1 1 1 -38 10 5  o 181.5901 2.897200 3992.172       127.2468 3903.225       177.3740 4086.489       182.6501 179.5080 4.084171 183.6722 4.110307 -4.164200      5.794401 
1 1 1 -38 10 6  o 207.0702 4.407560 5195.286       220.8097 0.000000       0.000000 5195.286       220.8097 ?        ?        207.0702 4.407560 ?              ?        
1 1 1 -38 10 7  o 100.4224 2.539791 1209.344       61.36406 1399.355       91.71296 1055.332       82.56925 107.4964 3.526423 93.34845 3.656023 14.14797       5.079583 
1 1 1 -38 10 8  o 48.75254 3.448949 289.7137       40.45353 267.2904       58.84925 309.8016       55.70039 46.94751 5.181149 50.55756 4.553756 -3.610054      6.897898 
1 1 1 -38 10 9  o 86.32219 2.586391 902.3325       54.00035 872.5693       75.72232 933.1331       77.03054 84.87321 3.687661 87.77118 3.627511 -2.897972      5.172782 
1 1 1 -38 10 10 o 339.5513 4.490888 14006.60       368.8704 13850.92       516.2250 14169.02       527.2734 337.6314 6.319662 341.4713 6.382331 -3.839935      8.981775 
1 1 1 -38 10 11 o 120.7665 2.578474 1766.862       75.32732 1735.680       105.5044 1799.286       107.5839 119.6801 3.643730 121.8529 3.649295 -2.172844      5.156949 
1 1 1 -38 10 12 o 56.85839 3.122343 395.6042       42.54016 338.0523       60.83984 450.6568       59.50413 52.76350 4.765979 60.95329 4.035038 -8.189785      6.244685 
1 1 1 -38 10 13 o 180.6778 2.884533 3962.535       126.0791 4038.819       179.2348 3887.818       177.3850 182.4017 4.061544 178.9540 4.097070 3.447739       5.769066 
1 1 1 -38 10 14 o 104.4447 2.544435 1321.337       64.07626 1175.449       88.45837 1482.392       92.94292 98.38066 3.716438 110.5087 3.476304 -12.12799      5.088870 
1 1 1 -38 10 15 o 86.35667 2.562079 901.7526       53.30131 793.2679       72.69341 1027.897       78.38705 80.75845 3.720530 91.95489 3.523443 -11.19644      5.124157 
1 1 1 -38 10 16 o 39.80525 6.081856 234.9114       42.34688 249.6462       45.81466 148.4830       110.9585 45.22004 4.187658 34.39046 11.42013 10.82957       12.16371 
1 1 1 -38 10 17 f 43.32868 5.361543 232.1563       41.04517 228.2001       44.92995 252.1118       100.9087 43.16571 4.302241 43.49165 9.822184 -0.3259430     10.72309 
1 1 1 -38 10 18 o 42.44075 5.160954 237.1058       40.33744 240.7253       45.01886 222.3676       90.84409 44.27106 4.203124 40.61044 9.427381 3.660622       10.32191 
1 1 1 -38 10 19 o 52.09526 3.994230 284.0219       40.65533 250.5563       44.67397 445.3302       98.08070 45.08161 4.095933 59.10892 6.858486 -14.02731      7.988460 
1 1 1 -38 10 20 o 27.96067 5.921323 114.9026       48.93221 158.2079       58.35308 12.31410       89.81380 34.28374 7.261110 21.63760 9.355454 12.64614       11.84265 
1 1 1 -38 12 1  o 145.2024 2.725712 2554.003       95.71448 2554.797       137.3517 2553.253       133.4539 145.2214 3.909318 145.1833 3.799376 0.3811646E-01  5.451424 
1 1 1 -38 12 2  o 89.17238 2.739749 963.3060       59.08919 994.2457       83.79136 932.6987       83.33994 90.59846 3.822752 87.74630 3.925745 2.852158       5.479498 
1 1 1 -38 12 3  o 233.4112 3.385423 6589.914       190.9254 6877.490       278.9163 6336.347       261.9045 238.1873 4.840085 228.6351 4.734758 9.552216       6.770846 
1 1 1 -38 12 4  o 93.25490 2.695176 1053.491       60.79480 1026.219       85.84321 1080.934       86.11108 92.04251 3.854919 94.46728 3.767692 -2.424767      5.390352 
1 1 1 -38 12 5  o 183.8503 2.963382 4087.693       131.6529 4253.825       192.0422 3940.387       180.8335 187.3645 4.236500 180.3360 4.144708 7.028427       5.926765 
1 1 1 -38 12 6  o 94.59360 2.731348 1083.649       62.49470 1116.454       89.17233 1051.984       87.61008 96.00092 3.839303 93.18627 3.885973 2.814651       5.462695 
1 1 1 -38 12 7  o 209.3910 3.156208 5312.881       159.8612 5234.145       223.4249 5395.471       228.8278 207.8038 4.444018 210.9783 4.483000 -3.174454      6.312415 
1 1 1 -38 12 8  o 78.78019 2.859159 753.3193       54.40033 709.1212       77.44989 796.3584       76.42765 76.49075 4.185136 81.06963 3.896638 -4.578888      5.718317 
1 1 1 -38 12 9  o 113.5097 2.622594 1561.227       72.01669 1535.228       101.6065 1587.474       102.0892 112.5590 3.731119 114.4605 3.686563 -1.901558      5.245189 
1 1 1 -38 12 10 o 33.60845 4.974986 139.7755       40.26009 203.9131       59.23795 84.72012       54.88377 40.95125 5.979027 26.26565 7.953185 14.68560       9.949971 
1 1 1 -38 12 11 o 180.4402 4.158780 3950.976       181.5522 0.000000       0.000000 3950.976       181.5522 ?        ?        180.4402 4.158780 ?              ?        
1 1 1 -38 12 12 o 94.58247 2.625975 1085.653       60.08116 1076.010       85.47095 1095.072       84.47304 94.16423 3.751719 95.00072 3.675267 -0.8364868     5.251950 
1 1 1 -38 12 13 o 43.89806 3.930292 235.7609       41.64217 223.1255       59.85125 247.6166       57.97539 42.73877 5.788272 45.05735 5.318336 -2.318584      7.860584 
1 1 1 -38 12 14 o 33.24131 4.992689 141.4661       38.76856 138.3063       57.65657 144.0737       52.37696 32.82974 7.432047 33.65288 6.668766 -0.8231430     9.985377 
1 1 1 -38 12 15 o 128.4330 2.615827 2010.161       81.22939 2034.609       113.3006 1984.304       116.5183 129.2551 3.623118 127.6109 3.774020 1.644165       5.231655 
1 1 1 -38 12 16 f 41.46766 3.964630 205.3015       39.02426 270.9933       61.32156 160.5890       50.59087 46.89001 5.405434 36.04530 5.801245 10.84471       7.929260 
1 1 1 -38 12 17 o 14.57891 4.622983 -23.72792      34.91704 -65.53101      56.20412 2.547390       44.55926 13.44806 6.385394 15.70977 6.686900 -2.261719      9.245966 
1 1 1 -38 12 18 o 24.58376 5.699810 72.84969       38.31487 95.82655       62.53950 59.04352       48.47813 27.07768 8.541553 22.08984 7.549385 4.987835       11.39962 
1 1 1 -38 12 19 o 74.79201 3.925457 748.4030       55.62525 779.6415       62.65997 632.2427       120.8297 79.70374 3.249445 69.88028 7.146884 9.823456       7.850914 
1 1 1 -38 12 20 o 38.12649 7.225487 197.4797       64.20989 197.4797       64.20989 0.000000       0.000000 38.12649 7.225487 ?        ?        ?              ?        
1 1 1 -38 14 1  o 187.6426 3.011898 4267.434       136.7214 4329.060       194.8803 4207.703       191.8615 188.9762 4.262443 186.3091 4.256488 2.667084       6.023796 
1 1 1 -38 14 2  o 137.7325 2.761196 2297.103       91.97725 2235.187       128.0385 2363.122       132.2128 135.8167 3.896596 139.6484 3.913229 -3.831772      5.522393 
1 1 1 -38 14 3  o 122.6912 2.729074 1818.639       80.88898 1718.771       110.8778 1932.262       118.2681 119.1016 3.847907 126.2808 3.871044 -7.179214      5.458147 
1 1 1 -38 14 4  o 192.8701 3.066673 4483.990       142.6049 4215.513       192.1579 4813.120       212.7596 186.4872 4.258994 199.2529 4.413490 -12.76569      6.133345 
1 1 1 -38 14 5  o 175.0284 4.217463 3713.477       178.5920 0.000000       0.000000 3713.477       178.5920 ?        ?        175.0284 4.217463 ?              ?        
1 1 1 -38 14 6  o 316.1703 4.247997 12137.83       324.8042 12404.17       467.7697 11889.85       451.3549 319.5073 6.051305 312.8332 5.963525 6.674133       8.495995 
1 1 1 -38 14 7  o 69.65226 3.145118 589.3654       52.90584 554.3416       75.31566 623.4824       74.33431 67.59959 4.605098 71.70493 4.284873 -4.105331      6.290236 
1 1 1 -38 14 8  o 41.73027 4.657794 218.3182       45.12243 178.1833       64.92437 255.8173       62.75633 37.58397 7.403461 45.87657 5.654110 -8.292603      9.315589 
1 1 1 -38 14 9  o 153.8929 3.968639 2872.926       147.7619 0.000000       0.000000 2872.926       147.7619 ?        ?        153.8929 3.968639 ?              ?        
1 1 1 -38 14 10 o 172.4684 4.091549 3610.824       170.7260 0.000000       0.000000 3610.824       170.7260 ?        ?        172.4684 4.091549 ?              ?        
1 1 1 -38 14 11 o 114.8892 2.640170 1602.678       73.36950 1620.109       103.0330 1584.746       104.5029 115.5282 3.686261 114.2502 3.780669 1.278000       5.280339 
1 1 1 -38 14 12 o 137.7632 2.661485 2306.191       88.70201 2339.869       126.1476 2273.255       124.7513 138.7589 3.757644 136.7674 3.770163 1.991531       5.322971 
1 1 1 -38 14 13 o 97.78844 3.860394 1164.046       91.33168 1164.046       91.33168 0.000000       0.000000 97.78844 3.860394 ?        ?        ?              ?        
1 1 1 -38 14 14 o 156.8747 2.815203 2998.052       106.7746 3138.106       154.2310 2869.143       147.9678 160.3905 3.974575 153.3588 3.988009 7.031723       5.630405 
1 1 1 -38 14 15 o 15.04268 4.729409 -29.11872      37.07486 -81.20071      56.23664 10.91957       49.30754 12.82590 6.169610 17.25946 7.169740 -4.433560      9.458818 
1 1 1 -38 14 16 o 49.24089 4.042927 309.1134       46.80721 245.6752       69.51519 361.7314       63.30989 44.31163 6.484249 54.17015 4.830690 -9.858521      8.085855 
1 1 1 -38 14 17 o 26.12172 5.561920 79.85744       39.44308 135.7794       62.39930 42.64437       50.90216 31.84443 8.084742 20.39900 7.640469 11.44543       11.12384 
1 1 1 -38 14 18 o 120.0111 3.790954 1775.502       110.0708 0.000000       0.000000 1775.502       110.0708 ?        ?        120.0111 3.790954 ?              ?        
1 1 1 -38 14 19 o 17.92432 5.422948 5.916158       43.07435 -32.70051      68.54874 31.11349       55.37189 16.55117 7.582555 19.29747 7.754890 -2.746298      10.84590 
1 1 1 -38 14 20 o 29.09707 7.399232 122.5270       62.00971 149.7918       115.7958 111.5645       73.42516 30.68622 11.51792 27.50793 9.291503 3.178288       14.79846 
1 1 1 -38 16 1  o 92.07607 2.934129 1028.443       65.29269 965.2780       91.50381 1093.965       93.19505 89.19018 4.240527 94.96195 4.056401 -5.771774      5.868258 
1 1 1 -38 16 2  o 253.7446 3.633540 7819.072       222.9790 7699.903       310.2493 7946.396       320.6895 251.7553 5.093658 255.7339 5.183154 -3.978577      7.267079 
1 1 1 -38 16 3  o 304.3673 4.145842 11264.92       305.2035 11102.42       425.5331 11437.08       437.9819 302.1195 5.821733 306.6151 5.904190 -4.495636      8.291684 
1 1 1 -38 16 4  o 32.15388 5.285126 133.0347       44.03548 53.54155       64.29434 203.2728       60.43577 23.44147 8.623588 40.86629 6.112608 -17.42482      10.57025 
1 1 1 -38 16 5  o 118.0207 3.976012 1689.580       113.5293 0.000000       0.000000 1689.580       113.5293 ?        ?        118.0207 3.976012 ?              ?        
1 1 1 -38 16 6  o 197.7186 3.129266 4729.102       149.4021 4466.130       203.7665 5034.823       219.7055 191.8015 4.391152 203.6357 4.459485 -11.83426      6.258532 
1 1 1 -38 16 7  o 203.0990 6.313676 5030.339       310.2361 5030.339       310.2361 0.000000       0.000000 203.0990 6.313676 ?        ?        ?              ?        
1 1 1 -38 16 8  o 78.50507 3.007280 747.1597       56.93915 668.0231       78.77235 833.7493       82.39821 74.14954 4.390996 82.86058 4.110243 -8.711037      6.014561 
1 1 1 -38 16 9  o 68.62916 3.194957 572.9833       52.72593 492.4869       73.32269 659.1796       75.87421 63.61574 4.763997 73.64258 4.258561 -10.02684      6.389915 
1 1 1 -38 16 10 o 91.48461 2.794339 1017.369       61.83857 1010.611       86.56259 1024.411       88.37135 91.17760 3.924097 91.79162 3.979295 -0.6140137     5.588678 
1 1 1 -38 16 11 f 127.7923 3.894471 1987.333       120.4080 1987.333       120.4080 0.000000       0.000000 127.7923 3.894471 ?        ?        ?              ?        
1 1 1 -38 16 12 o 83.45444 2.964558 851.0714       59.54007 835.0948       88.41011 864.3312       80.54338 82.69758 4.418825 84.21131 3.953276 -1.513733      5.929115 
1 1 1 -38 16 13 o 43.54195 4.433517 234.2525       46.59629 239.7229       68.57716 229.5609       63.50856 43.98590 6.444120 43.09799 6.090781 0.8879128      8.867034 
1 1 1 -38 16 14 o 143.1593 3.909096 2505.730       135.3936 2505.730       135.3936 0.000000       0.000000 143.1593 3.909096 ?        ?        ?              ?        
1 1 1 -38 16 15 o 90.46001 2.954301 1003.036       64.60151 1056.154       93.53471 954.5849       89.33086 92.74928 4.168310 88.17073 4.187693 4.578545       5.908602 
1 1 1 -38 16 16 o 117.7242 2.806154 1698.557       79.76626 1808.599       117.3805 1604.139       108.7287 121.2373 4.001818 114.2110 3.934903 7.026329       5.612309 
1 1 1 -38 16 17 o 64.72338 3.437080 511.2473       53.21906 615.5977       82.77551 437.7189       69.48358 70.22336 4.872119 59.22340 4.849384 10.99996       6.874160 
1 1 1 -38 16 18 o 30.34549 6.290232 128.3393       48.63970 146.8750       75.69548 115.3035       63.47954 31.99186 9.253686 28.69912 8.522757 3.292740       12.58046 
1 1 1 -38 16 19 o 39.54865 5.750578 222.9164       52.94682 231.3094       79.30772 216.1676       71.11643 39.98599 8.461869 39.11131 7.789310 0.8746758      11.50116 
1 1 1 -38 18 1  o 36.20865 5.395385 166.6565       45.73085 174.5076       66.50467 159.6143       62.98514 37.02412 7.676415 35.39318 7.583756 1.630947       10.79077 
1 1 1 -38 18 2  o 175.3373 2.970391 3735.830       125.9931 3719.027       176.7696 3753.180       179.6272 174.9413 4.176505 175.7334 4.224891 -0.7921600     5.940782 
1 1 1 -38 18 3  o 61.88875 3.652252 468.5986       54.03594 381.3060       75.51237 560.2099       77.35776 55.91962 5.581508 67.85788 4.711957 -11.93826      7.304503 
1 1 1 -38 18 4  o 266.4529 3.762275 8651.934       242.5271 8637.458       341.5372 8666.657       344.4514 266.2348 5.302381 266.6710 5.338877 -0.4361572     7.524549 
1 1 1 -38 18 5  o 72.19084 3.203572 634.0215       55.94384 647.5985       79.19673 620.4994       79.03658 72.96622 4.486246 71.41547 4.574394 1.550751       6.407143 
1 1 1 -38 18 6  o 65.25748 3.353795 516.9316       52.86174 548.4673       77.52059 489.5227       72.27077 67.10900 4.774568 63.40596 4.711186 3.703041       6.707591 
1 1 1 -38 18 7  f 150.4029 4.014179 2750.885       146.0681 2750.885       146.0681 0.000000       0.000000 150.4029 4.014179 ?        ?        ?              ?        
1 1 1 -38 18 8  o 110.2292 4.376477 1491.826       115.7314 1499.108       154.2588 1482.451       175.0422 110.6402 5.762815 109.8183 6.588185 0.8219528      8.752954 
1 1 1 -38 18 9  f 91.99770 2.926256 1029.266       64.95519 1140.541       94.00862 927.6099       89.85323 96.76581 4.015535 87.22960 4.257626 9.536209       5.852513 
1 1 1 -38 18 10 o 37.46120 5.165743 172.1610       46.26105 302.9653       71.17197 76.46951       60.87437 49.61346 5.929352 25.30895 8.460637 24.30451       10.33149 
1 1 1 -38 18 11 o 146.3201 4.047916 2614.389       143.2972 0.000000       0.000000 2614.389       143.2972 ?        ?        146.3201 4.047916 ?              ?        
1 1 1 -38 18 12 o 22.51681 5.992874 47.08211       45.99585 13.21148       69.51331 73.46082       61.34557 20.17803 8.457965 24.85559 8.492407 -4.677559      11.98575 
1 1 1 -38 18 13 o 33.64252 6.144529 147.5240       50.27898 178.3894       76.43125 123.9776       66.75702 36.62676 8.745871 30.65829 8.633116 5.968473       12.28906 
1 1 1 -38 18 14 o 32.75389 6.140785 143.3441       49.08477 148.8060       75.08633 139.2683       64.86309 33.21631 9.082514 32.29146 8.267097 0.9248505      12.28157 
1 1 1 -38 18 15 o 31.54920 6.116767 141.3159       50.25346 83.31442       80.38066 178.5341       64.38873 26.44121 9.655039 36.65718 7.512629 -10.21597      12.23353 
1 1 1 -38 18 16 o 39.96243 5.653568 216.7370       53.02698 195.8151       80.32590 232.8973       70.59575 37.46445 8.979142 42.46041 6.872141 -4.995953      11.30714 
1 1 1 -38 18 17 o 46.69727 5.293743 299.2056       56.89543 250.1822       84.53277 339.8056       76.92834 42.17633 8.576374 51.21821 6.208114 -9.041882      10.58749 
1 1 1 -38 18 18 o 38.97189 6.420425 230.7231       60.34024 174.0678       87.05702 283.1049       83.70937 33.37055 9.996942 44.57322 8.059069 -11.20267      12.84085 
1 1 1 -38 18 19 o 59.50198 6.604564 532.2151       91.66230 639.6193       155.3358 474.8364       113.5367 62.52952 10.26796 56.47443 8.309636 6.055084       13.20913 
1 1 1 -38 20 1  o 57.01057 3.796464 392.2676       51.84869 478.8526       78.51143 325.2994       69.04716 62.52858 5.189816 51.49257 5.542415 11.03602       7.592927 
1 1 1 -38 20 3  o 96.74361 2.975507 1141.073       69.63239 1113.812       98.22964 1168.608       98.72234 95.57495 4.248114 97.91225 4.167505 -2.337303      5.951014 
1 1 1 -38 20 4  o 91.41173 3.003888 1004.435       65.77076 1228.997       99.24015 828.5453       87.82942 100.4205 4.084722 82.40291 4.405499 18.01764       6.007777 
1 1 1 -38 20 5  o 26.81977 6.205266 87.41836       46.10788 84.89858       70.76472 89.27728       60.78087 26.83607 9.121341 26.80348 8.415606 0.3258514E-01  12.41053 
1 1 1 -38 20 6  f 22.83459 5.182424 38.88489       43.47355 -80.04365      67.40569 123.5890       56.88604 14.74218 6.997815 30.92700 7.645956 -16.18483      10.36485 
1 1 1 -38 20 7  o 136.9526 2.871701 2288.293       95.13107 2304.647       136.1198 2272.679       133.0055 137.4212 4.094163 136.4840 4.027964 0.9372406      5.743402 
1 1 1 -38 20 8  o 38.22365 5.593305 184.3239       50.97189 237.3302       75.78259 140.5327       68.88092 43.65076 7.175882 32.79653 8.581780 10.85423       11.18661 
1 1 1 -38 20 10 o 67.49265 3.724844 571.5702       59.66813 463.6317       86.60977 669.0822       82.32047 61.16911 5.852379 73.81618 4.609501 -12.64708      7.449687 
1 1 1 -38 20 11 o 47.16049 4.544585 279.2058       51.37615 268.4688       77.14428 287.7633       68.87122 46.22624 6.897836 48.09474 5.918857 -1.868504      9.089170 
1 1 1 -38 20 12 o 68.14837 3.621609 575.3165       59.67828 602.8557       85.55927 549.2234       83.28243 69.75203 5.069999 66.54471 5.172942 3.207321       7.243219 
1 1 1 -38 20 13 o 34.48933 6.410279 162.6842       53.82263 160.7398       82.69466 164.1133       70.89406 34.16385 9.604442 34.81481 8.492432 -0.6509666     12.82056 
1 1 1 -38 20 14 o 21.62012 6.110930 37.21215       50.04157 -8.656453      81.49962 64.96986       63.40007 19.70989 8.706418 23.53034 8.577420 -3.820446      12.22186 
1 1 1 -38 20 15 o 23.24473 6.282967 48.78648       53.76536 -13.20107      78.41474 103.7833       73.86082 18.88601 8.429589 27.60345 9.319052 -8.717440      12.56593 
1 1 1 -38 20 16 o 35.66894 6.386868 181.7231       58.81182 98.81213       79.70229 280.8289       87.13934 26.74227 9.637076 44.59561 8.384215 -17.85334      12.77374 
1 1 1 -38 20 17 o 49.95881 5.879502 361.5512       68.83080 316.6829       97.69338 405.7788       96.99329 45.86761 9.124604 54.05001 7.417263 -8.182396      11.75900 
1 1 1 -38 22 1  o 99.57339 3.078308 1215.404       74.07866 1209.497       107.1153 1220.819       102.5593 99.30998 4.458166 99.83681 4.246019 -0.5268250     6.156616 
1 1 1 -38 22 2  o 58.49461 3.946994 417.5395       55.48761 468.9781       84.61359 378.7280       73.49789 61.59639 5.677833 55.39282 5.484273 6.203568       7.893988 
1 1 1 -38 22 3  o 52.28336 4.759812 359.4442       55.58990 250.8013       82.02045 451.7514       75.60306 43.99510 8.000480 60.57162 5.159028 -16.57652      9.519625 
1 1 1 -38 22 4  o 44.81002 5.172276 263.1273       52.87262 211.0567       80.03984 303.4401       70.42576 40.11240 8.511086 49.50764 5.879725 -9.395245      10.34455 
1 1 1 -38 22 5  f 71.72504 3.500572 632.8964       60.55089 633.3801       89.25829 632.4840       82.41438 71.70218 5.145338 71.74790 4.747790 -0.4572296E-01 7.001143 
1 1 1 -38 22 6  o 62.40866 4.052888 495.1786       59.30714 371.0879       86.06638 607.3789       81.83913 54.54857 6.521505 70.26875 4.813894 -15.72018      8.105776 
1 1 1 -38 22 8  o 35.93403 5.711134 176.2898       54.13601 55.46080       79.04689 283.0246       74.29374 24.32356 9.420856 47.54450 6.458768 -23.22094      11.42227 
1 1 1 -38 22 9  o 23.44772 6.410320 51.80035       51.54901 58.36151       76.15776 46.25259       70.02979 24.23406 9.283615 22.66139 8.842133 1.572668       12.82064 
1 1 1 -38 22 10 o 56.84656 4.340291 408.5580       59.31153 371.8092       85.93158 441.9941       81.96713 54.24294 6.547979 59.45018 5.698811 -5.207249      8.680581 
1 1 1 -38 22 11 o 23.43106 6.481491 48.03772       54.22962 79.45791       79.05238 20.10839       74.53165 26.00105 9.562676 20.86107 8.751807 5.139982       12.96298 
1 1 1 -38 22 12 o 41.11625 5.790006 224.8507       55.04466 262.0382       85.59982 198.6314       71.87609 43.94081 8.357386 38.29169 8.015658 5.649124       11.58001 
1 1 1 -38 22 13 o 23.26234 6.182843 37.62309       52.63985 121.4911       78.84909 -29.81136      70.70327 29.46954 9.619350 17.05514 7.770348 12.41440       12.36569 
1 1 1 -38 22 14 o 19.36073 6.104314 -7.741056      57.97965 -15.63501      80.41028 0.8076395      83.67857 18.74512 8.438128 19.97635 8.823184 -1.231237      12.20863 
1 1 1 -38 22 15 o 53.76833 5.239879 396.9476       68.12302 381.0066       95.90634 413.1806       96.78062 52.56461 7.541394 54.97206 7.276861 -2.407455      10.47976 
1 1 1 -38 22 16 o 52.20638 5.586074 390.8250       67.71447 308.4171       90.97121 493.2120       101.4010 45.08170 8.655354 59.33105 7.064116 -14.24935      11.17215 
1 1 1 -38 24 1  o 111.9098 3.029316 1544.481       82.00453 1557.273       115.2027 1531.341       116.7568 112.4032 4.236250 111.4164 4.331421 0.9867630      6.058632 
1 1 1 -38 24 2  o 22.77880 5.864985 -4.542026      51.45714 137.4642       81.41311 -99.01064      66.40250 31.89227 9.693104 13.66533 6.605750 18.22695       11.72997 
1 1 1 -38 24 3  o 45.26574 5.394927 268.9986       56.94781 231.7017       82.86905 302.3728       78.39019 41.61747 8.517180 48.91401 6.624089 -7.296532      10.78985 
1 1 1 -38 24 4  o 51.39846 4.724408 332.7137       58.61160 359.5378       86.46262 309.9070       79.72532 53.29827 6.705219 49.49864 6.657340 3.799637       9.448816 
1 1 1 -38 24 5  o 129.3418 4.303278 2063.325       134.6606 2063.325       134.6606 0.000000       0.000000 129.3418 4.303278 ?        ?        ?              ?        
1 1 1 -38 24 6  o 46.15906 6.833127 322.8498       67.76476 211.5408       127.6974 366.4826       79.95083 38.38380 12.21577 53.93431 6.127108 -15.55051      13.66625 
1 1 1 -38 24 7  o 37.89374 5.997508 201.2597       55.92098 118.3555       83.20751 269.5505       75.51881 29.80844 9.889014 45.97904 6.788798 -16.17061      11.99502 
1 1 1 -38 24 8  o 31.16258 6.666840 131.6783       54.17897 150.3879       82.82834 117.6867       71.62759 32.87596 9.729038 29.44921 9.117721 3.426754       13.33368 
1 1 1 -38 24 9  o 52.17371 4.964887 353.0717       62.13418 404.8124       88.16740 302.0209       87.57756 56.23362 6.480517 48.11380 7.523516 8.119812       9.929773 
1 1 1 -38 24 10 o 52.49295 4.965118 359.0376       63.01476 349.2435       89.77976 368.5475       88.46738 51.70340 7.177233 53.28251 6.862720 -1.579105      9.930237 
1 1 1 -38 24 11 o 45.51318 6.025095 289.6437       63.80227 188.3061       88.26079 400.5583       92.33727 35.78627 9.872774 55.24009 6.909081 -19.45383      12.05019 
1 1 1 -38 24 12 o 32.20022 6.928346 150.4857       62.96015 81.23707       86.93040 226.8862       91.30910 25.45804 9.874119 38.94239 9.721609 -13.48435      13.85669 
1 1 1 -38 24 13 o 22.41613 6.646170 45.56176       60.93951 60.52081       86.93121 31.10785       85.45083 23.42597 9.604248 21.40630 9.189381 2.019669       13.29234 
1 1 1 -38 24 14 o 37.90134 7.395798 238.8764       69.09241 219.3549       89.46533 267.7254       108.7589 36.59493 9.875869 39.20774 11.01175 -2.612812      14.79160 
1 1 1 -38 26 6  o 29.31270 12.88260 60.35693       176.3106 0.000000       0.000000 60.35693       176.3106 ?        ?        29.31270 12.88260 ?              ?        
1 1 1 -38 26 7  o 38.94759 9.507896 229.7943       102.8385 175.3718       123.8891 350.3867       184.4183 33.75899 12.03093 44.13619 14.72607 -10.37720      19.01579 
1 1 1 -38 26 8  o 28.76053 8.607192 92.69237       99.52100 99.64307       120.1659 77.51339       177.5774 28.20597 11.39263 29.31510 12.90516 -1.109123      17.21438 
1 1 1 -38 26 9  o 41.25596 9.748155 294.6113       107.7093 257.1089       129.0218 380.8448       195.6461 38.92541 12.26738 43.58651 15.15313 -4.661098      19.49631 
1 1 1 -38 26 10 o 26.64779 8.506149 53.07793       107.0604 44.58061       126.0544 75.07436       202.8117 24.64202 10.85934 28.65355 13.09554 -4.011536      17.01230 
1 1 1 -38 26 11 o 26.37332 8.203424 82.71302       102.7136 120.0476       123.9165 0.7430101      183.6120 27.76045 11.43392 24.98618 11.76649 2.774277       16.40685 
1 1 1 -37 1  1  f 99.86436 2.389420 1204.862       57.66428 1163.204       79.26155 1251.704       84.04797 98.03444 3.341809 101.6943 3.416082 -3.659859      4.778839 
1 1 1 -37 1  2  o 365.0427 4.742137 16150.93       418.7902 16268.66       596.0517 16036.15       588.5374 366.3544 6.724813 363.7310 6.687925 2.623322       9.484275 
1 1 1 -37 1  3  o 242.5810 3.410835 7118.575       200.0547 7324.982       289.2415 6929.275       276.9957 245.9468 4.860905 239.2151 4.786103 6.731659       6.821670 
1 1 1 -37 1  4  o 358.9207 4.671502 15613.13       405.6315 15717.03       577.4543 15511.92       569.9191 360.0971 6.628201 357.7444 6.584731 2.352722       9.343004 
1 1 1 -37 1  5  o 227.4774 3.766074 6128.209       175.4530 6009.823       199.5321 6531.826       368.4223 222.8200 3.701317 232.1348 6.559992 -9.314774      7.532148 
1 1 1 -37 1  6  f 181.4784 3.223929 4038.554       124.0709 4094.394       144.6851 3883.403       241.1746 183.9256 3.251468 179.0311 5.568019 4.894470       6.447859 
1 1 1 -37 1  7  f 128.5756 2.757587 2038.211       75.16488 2079.410       87.78718 1925.045       145.4946 131.0816 2.768134 126.0696 4.770175 5.012016       5.515173 
1 1 1 -37 1  8  o 207.7215 3.518337 5223.533       176.8159 5223.533       176.8159 0.000000       0.000000 207.7215 3.518337 ?        ?        ?              ?        
1 1 1 -37 1  9  o 148.8820 2.907450 2755.524       92.48535 2841.477       108.8122 2531.826       175.5418 153.2175 2.935396 144.5466 5.019613 8.670853       5.814901 
1 1 1 -37 1  10 o 92.42043 2.253712 1034.055       50.39238 1038.135       71.22189 1029.966       71.30937 92.60315 3.178963 92.23772 3.195477 0.3654327      4.507425 
1 1 1 -37 1  11 f 211.5552 3.779272 5418.597       182.3167 5402.229       223.0853 5451.517       316.3671 211.1579 4.366780 211.9525 6.169508 -0.7945709     7.558545 
1 1 1 -37 1  12 o 126.3032 2.409810 1930.524       73.61051 1864.257       102.6636 2000.636       105.6005 124.0736 3.420069 128.5328 3.395859 -4.459175      4.819619 
1 1 1 -37 1  13 o 50.95494 2.873710 314.6603       35.42382 317.5271       49.93383 311.7558       50.26146 51.18931 4.031934 50.72057 4.095894 0.4687386      5.747420 
1 1 1 -37 1  14 o 118.1064 2.391702 1688.231       68.30026 1769.750       98.26775 1612.048       94.99755 120.8629 3.360592 115.3500 3.404024 5.512917       4.783405 
1 1 1 -37 1  15 o 68.64020 2.461825 571.3989       40.76374 515.5109       57.02687 629.7925       58.29118 65.20104 3.615119 72.07936 3.342640 -6.878319      4.923650 
1 1 1 -37 1  16 o 60.41768 2.528070 442.7039       36.91771 470.8458       52.92794 416.0396       51.51958 62.28971 3.512096 58.54564 3.637269 3.744072       5.056140 
1 1 1 -37 1  17 o 50.28497 2.783054 306.9913       33.81910 289.4283       46.62690 326.4872       49.12572 48.76962 3.951708 51.80032 3.919893 -3.030701      5.566107 
1 1 1 -37 1  18 o 60.34117 2.442300 442.6210       35.59557 408.0838       49.41796 479.8608       51.31509 57.89005 3.528406 62.79230 3.377820 -4.902248      4.884600 
1 1 1 -37 1  19 o 131.6255 3.336533 2112.214       106.2521 2112.214       106.2521 0.000000       0.000000 131.6255 3.336533 ?        ?        ?              ?        
1 1 1 -37 3  1  o 118.7276 2.768818 1723.739       69.09401 1741.710       80.12603 1671.624       136.4498 119.9693 2.760586 117.4860 4.800477 2.483261       5.537636 
1 1 1 -37 3  2  o 165.0408 3.102245 3428.724       110.6415 3608.030       131.8435 3001.785       203.4443 172.6618 3.156169 157.4199 5.341750 15.24188       6.204490 
1 1 1 -37 3  3  o 71.24854 2.832974 592.4726       41.92371 572.7490       47.83373 657.8228       87.06917 68.79578 2.873890 73.70130 4.883003 -4.905525      5.665947 
1 1 1 -37 3  4  f 248.1610 3.967712 7645.810       212.4556 7885.114       251.4190 7048.186       397.3170 255.2088 4.071929 241.1133 6.811046 14.09557       7.935424 
1 1 1 -37 3  5  o 83.39507 2.761166 866.2955       47.80454 890.8447       55.36864 794.4081       94.74823 85.80006 2.667313 80.99008 4.835451 4.809975       5.522331 
1 1 1 -37 3  6  o 307.5836 4.723225 11514.50       305.9858 11559.01       354.6589 11384.89       605.1785 308.9320 4.745103 306.2351 8.168196 2.696899       9.446450 
1 1 1 -37 3  7  o 295.3626 4.571271 10576.08       282.9767 10573.38       326.8291 10584.18       565.5602 295.4659 4.572051 295.2593 7.917223 0.2065125      9.142542 
1 1 1 -37 3  8  o 204.2606 3.707257 5016.595       171.1591 4947.188       207.1405 5165.973       303.8839 202.1130 4.236122 206.4082 6.085250 -4.295135      7.414513 
1 1 1 -37 3  9  f 74.70738 2.676914 695.9372       41.77723 717.0486       48.56096 635.8120       81.95146 76.97222 2.607660 72.44254 4.675852 4.529686       5.353828 
1 1 1 -37 3  10 f 231.5815 3.822837 6351.683       180.6677 6226.623       205.1385 6784.057       381.4336 226.7543 3.739292 236.4087 6.668885 -9.654358      7.645674 
1 1 1 -37 3  11 o 122.1012 2.833948 1844.918       72.20000 1884.787       83.67589 1728.733       142.8416 124.7824 2.771690 119.4201 4.943963 5.362335       5.667895 
1 1 1 -37 3  12 o 89.71808 2.769337 903.9271       50.41309 850.3126       56.63162 1108.626       110.6562 83.80905 2.792967 95.62710 4.782913 -11.81805      5.538675 
1 1 1 -37 3  13 o 255.1789 4.099939 7950.890       219.9914 7997.265       254.9194 7815.586       435.4268 256.8807 4.101750 253.4771 7.100257 3.403549       8.199879 
1 1 1 -37 3  14 o 13.83504 4.300099 -14.13846      28.44024 -33.00546      41.09690 3.200929       39.39803 12.57002 5.799620 15.10007 6.350420 -2.530053      8.600199 
1 1 1 -37 3  15 o 186.7957 2.866829 4222.077       129.3399 4447.790       189.8059 4026.409       176.7225 191.4363 4.098105 182.1551 4.010035 9.281189       5.733659 
1 1 1 -37 3  16 o 143.4398 3.548561 2497.478       123.1471 0.000000       0.000000 2497.478       123.1471 ?        ?        143.4398 3.548561 ?              ?        
1 1 1 -37 3  17 o 34.53011 3.796322 150.5409       30.14990 188.1343       42.58984 112.7755       42.68713 39.27857 4.481755 29.78165 6.128795 9.496920       7.592645 
1 1 1 -37 3  18 o 30.49221 3.715390 116.1489       26.76098 108.2694       38.06688 123.8480       37.62841 29.19777 5.592473 31.78665 4.892927 -2.588877      7.430780 
1 1 1 -37 3  19 o 63.53766 3.292071 492.2116       50.60609 492.2116       50.60609 0.000000       0.000000 63.53766 3.292071 ?        ?        ?              ?        
1 1 1 -37 5  1  o 386.7768 5.741702 18392.99       473.8489 18661.35       554.6609 17668.05       911.6434 392.4008 5.842456 381.1529 9.886065 11.24786       11.48340 
1 1 1 -37 5  2  o 159.8002 3.115134 3155.272       104.8459 3223.425       122.0803 2963.712       204.6712 163.1972 3.091936 156.4032 5.408896 6.793976       6.230267 
1 1 1 -37 5  3  o 97.90547 2.838849 1191.863       57.46661 1222.572       66.38589 1100.059       114.7820 100.5116 2.729966 95.29933 4.978308 5.212280       5.677699 
1 1 1 -37 5  4  o 165.0773 3.139914 3315.815       108.3573 3331.676       125.1394 3268.293       216.6147 165.9139 3.117519 164.2407 5.451360 1.673218       6.279829 
1 1 1 -37 5  5  o 377.8148 5.708423 16983.64       439.7789 16695.29       499.5233 17977.39       927.3397 371.1839 5.562428 384.4458 9.970144 -13.26190      11.41685 
1 1 1 -37 5  6  o 342.0418 5.241706 13818.14       362.6239 13517.97       410.0241 14895.89       776.9359 334.0351 5.073585 350.0486 9.173912 -16.01346      10.48341 
1 1 1 -37 5  7  o 251.6075 4.036607 7724.421       214.1077 7777.794       248.4704 7570.493       421.9597 253.4351 4.052338 249.7799 6.982502 3.655151       8.073214 
1 1 1 -37 5  8  o 284.2402 4.492384 9507.693       257.8661 9279.297       291.2293 10336.70       554.8445 276.7827 4.349045 291.6977 7.862053 -14.91507      8.984769 
1 1 1 -37 5  9  o 225.6643 3.755483 6036.654       173.1182 5922.429       196.6823 6429.506       364.7533 221.1539 3.675938 230.1748 6.549968 -9.020859      7.510966 
1 1 1 -37 5  10 o 70.69303 2.977520 642.4973       42.83624 678.4620       49.57155 536.4664       85.11594 74.86768 2.736754 66.51839 5.288919 8.349289       5.955039 
1 1 1 -37 5  11 o 105.4624 2.789134 1318.971       60.04637 1295.329       68.21259 1400.357       126.5602 103.4452 2.725536 107.4796 4.867085 -4.034378      5.578267 
1 1 1 -37 5  12 o 119.9825 2.814660 1742.824       81.70452 1742.824       81.70452 0.000000       0.000000 119.9825 2.814660 ?        ?        ?              ?        
1 1 1 -37 5  13 o 314.0879 4.885229 11812.49       314.3405 11649.03       358.0764 12361.69       656.3539 309.8940 4.775955 318.2817 8.523621 -8.387756      9.770458 
1 1 1 -37 5  14 o 133.5259 2.958942 2088.561       80.04871 2030.109       90.44724 2299.822       171.9517 129.4601 2.887733 137.5917 5.165495 -8.131607      5.917883 
1 1 1 -37 5  15 o 19.05458 5.444444 22.94911       31.29388 24.43227       34.36279 15.74063       75.75590 16.61121 6.266328 21.49795 8.905111 -4.886738      10.88889 
1 1 1 -37 5  16 o 116.8809 2.399024 1651.480       67.69074 1801.154       99.30685 1521.587       92.51223 121.8095 3.369735 111.9524 3.415573 9.857101       4.798047 
1 1 1 -37 5  17 o 99.45624 2.334199 1193.979       55.96613 1331.305       83.09425 1079.958       75.71549 104.6568 3.281718 94.25569 3.320281 10.40109       4.668397 
1 1 1 -37 5  18 o 116.9583 3.365610 1665.962       95.23515 1665.962       95.23515 0.000000       0.000000 116.9583 3.365610 ?        ?        ?              ?        
1 1 1 -37 5  19 o 93.40278 3.243091 1064.034       73.28605 1064.034       73.28605 0.000000       0.000000 93.40278 3.243091 ?        ?        ?              ?        
1 1 1 -37 5  20 o 38.04611 3.968967 178.0056       36.53339 178.0056       36.53339 0.000000       0.000000 38.04611 3.968967 ?        ?        ?              ?        
1 1 1 -37 7  1  o 296.9159 4.618328 10767.74       289.5678 10847.72       336.3981 10538.96       568.9379 299.2543 4.646339 294.5776 7.982940 4.676697       9.236655 
1 1 1 -37 7  2  o 305.7002 4.788840 11009.39       295.3194 10755.35       333.4544 11933.37       635.9449 297.9850 4.625299 313.4155 8.386808 -15.43048      9.577680 
1 1 1 -37 7  3  o 304.4220 4.751897 10992.25       294.7054 10786.98       334.4628 11704.94       623.2228 298.4238 4.632464 310.4202 8.298337 -11.99637      9.503795 
1 1 1 -37 7  4  o 307.2557 4.756802 11429.55       304.9670 11407.96       351.3222 11495.54       614.2732 306.8820 4.731859 307.6294 8.253373 -0.7473450     9.513604 
1 1 1 -37 7  5  o 210.1228 3.613987 5241.612       155.5342 5149.660       176.9612 5553.837       326.0845 206.2437 3.546460 214.0018 6.298114 -7.758041      7.227974 
1 1 1 -37 7  6  o 300.7399 4.655672 11070.24       296.2557 11176.60       344.7274 10769.78       579.3951 303.7399 4.691069 297.7400 8.043321 5.999908       9.311344 
1 1 1 -37 7  7  o 133.2634 3.111044 2207.176       94.95844 2342.652       118.8360 1967.876       157.9386 139.0999 3.531173 127.4269 5.123007 11.67303       6.222088 
1 1 1 -37 7  8  o 203.8510 3.529037 5105.485       151.6929 5179.770       176.4097 4894.706       297.1575 206.8312 3.525364 200.8709 6.114591 5.960342       7.058075 
1 1 1 -37 7  9  o 377.9985 5.641246 17587.56       453.9912 17832.87       530.7298 16918.50       876.5109 383.4424 5.720987 372.5546 9.724450 10.88782       11.28249 
1 1 1 -37 7  10 o 127.0547 2.935285 1972.440       76.77545 1987.825       88.09646 1923.855       156.5543 128.1444 2.841557 125.9650 5.137036 2.179428       5.870570 
1 1 1 -37 7  11 o 193.7392 3.463343 4527.716       138.4228 4506.456       158.4941 4596.074       284.1944 192.9025 3.396040 194.5759 6.037042 -1.673309      6.926685 
1 1 1 -37 7  12 o 36.54667 5.392183 164.2229       36.46288 163.6403       40.05190 167.0434       88.12791 36.73806 4.506140 36.35527 9.797818 0.3827820      10.78437 
1 1 1 -37 7  13 o 135.1324 3.295865 2272.205       100.1826 2379.914       122.7285 2057.109       173.4354 140.1354 3.619889 130.1294 5.508840 10.00604       6.591731 
1 1 1 -37 7  14 o 151.9158 3.201187 2787.843       97.91740 2776.055       110.9778 2829.268       208.0433 151.3565 3.030628 152.4752 5.639654 -1.118622      6.402374 
1 1 1 -37 7  15 o 109.6848 2.941496 1429.461       64.36295 1405.408       72.46560 1519.334       140.0767 107.6807 2.781581 111.6889 5.183861 -4.008247      5.882993 
1 1 1 -37 7  16 o 57.25877 3.862048 373.8349       48.36228 341.4710       56.26070 465.4373       94.65166 52.94303 4.392321 61.57452 6.353674 -8.631493      7.724096 
1 1 1 -37 7  17 o 37.73817 4.985383 194.9705       34.94619 205.1141       39.13268 155.0268       77.65456 41.01616 3.943504 34.46019 9.157782 6.555973       9.970766 
1 1 1 -37 7  18 o 41.22816 3.190886 205.7782       31.55760 247.6493       47.42246 172.4993       42.27769 44.96347 4.359352 37.49284 4.660802 7.470638       6.381773 
1 1 1 -37 7  19 f 58.64337 2.606682 416.9741       36.32230 538.3032       54.16671 317.8421       48.96173 66.37846 3.372896 50.90828 3.975265 15.47018       5.213364 
1 1 1 -37 7  20 o 28.32239 3.764804 97.27788       23.52049 121.7998       42.16214 86.19856       28.34012 30.64976 5.899939 25.99502 4.678216 4.654739       7.529607 
1 1 1 -37 9  1  o 156.5013 2.696858 2958.286       101.9746 3122.417       148.9547 2813.506       139.8987 160.5755 3.834181 152.4272 3.793577 8.148285       5.393716 
1 1 1 -37 9  2  o 134.1959 2.568792 2177.867       83.33437 2244.392       120.8349 2117.528       115.0808 136.1466 3.668454 132.2452 3.596835 3.901398       5.137585 
1 1 1 -37 9  3  o 126.6534 2.539911 1937.765       77.73596 2040.316       113.3004 1846.554       106.8532 129.8118 3.607573 123.4951 3.576311 6.316650       5.079821 
1 1 1 -37 9  4  o 99.62586 2.519359 1201.624       60.72075 1210.814       86.46459 1192.682       85.29163 100.0014 3.573797 99.25034 3.551993 0.7510529      5.038718 
1 1 1 -37 9  5  f 399.3290 5.150756 19360.49       497.5492 19574.76       711.2850 19155.19       696.2380 401.4840 7.322731 397.1741 7.245602 4.309967       10.30151 
1 1 1 -37 9  6  o 27.03400 4.984268 88.43748       33.73330 127.4458       50.88340 57.84943       45.05818 31.79924 6.818544 22.26875 7.271807 9.530489       9.968536 
1 1 1 -37 9  7  o 381.7159 4.950818 17668.70       456.7285 17172.60       628.6052 18223.46       664.7310 376.0676 6.908913 387.3641 7.092906 -11.29651      9.901636 
1 1 1 -37 9  8  o 271.2778 3.733469 8902.682       244.6788 8561.855       335.1528 9291.638       358.0358 265.7391 5.212970 276.8166 5.346037 -11.07751      7.466938 
1 1 1 -37 9  9  o 29.74850 4.676096 111.1984       32.64027 116.7565       48.95349 106.7496       43.79647 30.40782 6.822055 29.08919 6.397115 1.318628       9.352193 
1 1 1 -37 9  10 f 183.4916 2.888428 4075.867       128.1595 4192.988       184.9598 3967.704       177.7452 186.0230 4.109684 180.9602 4.059873 5.062775       5.776856 
1 1 1 -37 9  11 o 96.49190 2.527443 1128.139       58.98524 1096.764       83.45094 1159.464       83.38455 95.14893 3.625142 97.83486 3.522814 -2.685928      5.054886 
1 1 1 -37 9  12 o 28.56517 4.717309 96.82784       35.18044 166.4240       52.16827 38.77903       47.64424 37.00697 5.826673 20.12337 7.420369 16.88360       9.434617 
1 1 1 -37 9  13 o 113.5065 2.497950 1561.756       68.57552 1617.254       97.62827 1507.708       96.34531 115.4994 3.493763 111.5137 3.571084 3.985741       4.995901 
1 1 1 -37 9  14 o 200.1723 3.036897 4867.685       147.0721 4901.041       208.5868 4834.708       207.4008 200.8547 4.292423 199.4899 4.297218 1.364822       6.073794 
1 1 1 -37 9  15 o 95.46169 3.217822 1122.782       58.15060 1130.882       64.70272 1088.757       132.6149 96.56799 2.769408 94.35538 5.809293 2.212616       6.435643 
1 1 1 -37 9  16 o 64.94901 4.195783 559.9841       47.35512 580.8371       52.00529 458.7745       114.5706 69.14252 3.108852 60.75549 7.794448 8.387024       8.391566 
1 1 1 -37 9  17 o 39.23172 5.268288 212.7311       38.49834 224.1541       43.09960 167.6383       85.63223 42.82649 4.159666 35.63694 9.680735 7.189545       10.53658 
1 1 1 -37 9  18 o 66.72380 3.550699 537.6635       45.47164 530.4793       50.58982 567.8763       103.7460 65.96790 3.169773 67.47970 6.354713 -1.511803      7.101398 
1 1 1 -37 9  19 o 33.61473 5.710719 148.2231       40.53915 149.3804       45.85403 144.0809       86.74929 34.61948 5.474628 32.60997 10.02386 2.009514       11.42144 
1 1 1 -37 9  20 o 41.96892 3.371762 212.2346       33.24224 299.2644       51.94985 151.8910       43.25794 49.11304 4.372051 34.82479 5.134227 14.28825       6.743524 
1 1 1 -37 11 1  o 154.8866 2.748284 2904.595       102.9675 2967.241       147.2623 2844.671       144.0276 156.5200 3.888834 153.2533 3.884485 3.266632       5.496567 
1 1 1 -37 11 2  o 160.8081 2.764477 3131.413       107.5416 3174.698       153.4640 3089.647       150.7461 161.8994 3.917950 159.7168 3.901153 2.182526       5.528954 
1 1 1 -37 11 3  o 136.2953 2.630222 2249.634       86.72173 2204.735       122.2905 2295.055       122.9986 134.9262 3.746226 137.6644 3.692974 -2.738174      5.260444 
1 1 1 -37 11 4  o 348.8067 4.601644 14762.09       388.2221 15029.72       557.0877 14509.41       541.3102 351.8723 6.543893 345.7411 6.471319 6.131134       9.203288 
1 1 1 -37 11 5  o 415.7508 5.355824 20967.61       537.8833 21717.38       787.5374 20312.05       736.3987 422.6700 7.701360 408.8315 7.445029 13.83856       10.71165 
1 1 1 -37 11 6  o 169.8642 2.829171 3494.863       116.2634 3453.701       163.5533 3536.910       165.3032 168.8530 4.003578 170.8753 3.998525 -2.022247      5.658342 
1 1 1 -37 11 7  o 122.2903 2.584727 1811.225       76.47218 1823.708       108.2697 1798.798       108.0267 122.7111 3.646874 121.8695 3.663817 0.8415985      5.169453 
1 1 1 -37 11 8  o 353.2866 4.639062 15143.84       396.1876 14769.67       546.9993 15556.75       574.6075 348.7182 6.483504 357.8549 6.636850 -9.136658      9.278125 
1 1 1 -37 11 9  o 81.02996 2.716884 795.9763       52.62745 641.2788       72.70733 966.2216       76.27357 72.74525 4.131152 89.31467 3.529791 -16.56941      5.433769 
1 1 1 -37 11 10 o 158.6537 2.747064 3050.232       105.4404 3084.932       149.4530 3015.844       148.7797 159.5530 3.871662 157.7543 3.898163 1.798630       5.494128 
1 1 1 -37 11 11 o 245.3169 3.494794 7304.516       207.4100 7269.396       291.6067 7340.475       295.0681 244.7231 4.925158 245.9108 4.959552 -1.187698      6.989588 
1 1 1 -37 11 12 o 42.76997 3.875110 222.8012       40.03859 210.9004       56.99393 234.3973       56.25946 41.63308 5.658324 43.90686 5.296157 -2.273788      7.750220 
1 1 1 -37 11 13 o 65.81987 2.914837 526.9296       46.34241 505.3031       66.50274 547.3453       64.61420 64.49610 4.261905 67.14365 3.977597 -2.647545      5.829675 
1 1 1 -37 11 14 o 77.09453 2.683153 722.0107       50.03920 737.1318       71.43441 707.4426       70.11622 77.88718 3.790873 76.30188 3.798227 1.585297       5.366306 
1 1 1 -37 11 15 o 142.7140 2.648314 2477.514       91.39207 2593.156       130.5962 2366.528       127.9405 145.9870 3.697548 139.4409 3.792413 6.546097       5.296627 
1 1 1 -37 11 16 o 25.46724 5.332855 80.00954       35.10149 100.3501       53.95733 65.08534       46.21836 27.90528 7.727623 23.02919 7.351274 4.876089       10.66571 
1 1 1 -37 11 17 o 32.42478 4.828264 138.4161       36.94087 106.3206       56.22826 162.7894       48.99920 28.56464 7.879976 36.28492 5.581623 -7.720284      9.656528 
1 1 1 -37 11 18 o 50.82493 5.035228 293.1136       54.63062 259.2713       62.41773 403.9262       112.9466 45.62882 5.654139 56.02103 8.333354 -10.39222      10.07046 
1 1 1 -37 11 19 o 95.28114 3.407691 1127.136       71.34247 1124.707       84.80841 1133.016       131.9461 95.65277 3.664705 94.90952 5.746248 0.7432480      6.815382 
1 1 1 -37 11 20 o 19.77247 7.741223 36.96277       53.81649 36.96277       53.81649 0.000000       0.000000 19.77247 7.741223 ?        ?        ?              ?        
1 1 1 -37 13 1  o 290.8799 3.976548 10263.61       279.7876 10405.74       400.7623 10128.46       390.7853 292.8387 5.656607 288.9211 5.590576 3.917572       7.953097 
1 1 1 -37 13 2  o 221.6608 3.297182 5951.546       176.7361 5819.130       245.3351 6094.399       254.8197 219.1031 4.628166 224.2185 4.697417 -5.115463      6.594365 
1 1 1 -37 13 3  o 79.21091 2.897944 760.1215       55.52940 743.3190       78.09932 777.3003       78.96877 78.32502 4.121397 80.09679 4.075097 -1.771774      5.795888 
1 1 1 -37 13 4  o 80.30440 2.906777 778.6595       56.31985 702.1121       77.38868 864.8490       82.11816 76.12017 4.202187 84.48862 4.017341 -8.368454      5.813553 
1 1 1 -37 13 5  o 182.2075 2.956794 4021.573       130.3103 3965.723       181.8185 4080.563       186.8580 180.9091 4.154083 183.5058 4.208814 -2.596664      5.913588 
1 1 1 -37 13 6  o 126.8600 2.680544 1945.370       82.18163 1843.256       113.2452 2058.975       119.4475 123.3507 3.794685 130.3694 3.787034 -7.018700      5.361088 
1 1 1 -37 13 7  o 190.8231 3.019751 4407.602       139.2983 4273.696       192.2747 4555.522       202.0863 187.7802 4.232239 193.8661 4.308566 -6.085938      6.039503 
1 1 1 -37 13 8  o 315.5136 4.235851 12079.37       323.0989 12437.09       468.1262 11753.94       446.5022 319.9568 6.047409 311.0704 5.932840 8.886414       8.471703 
1 1 1 -37 13 9  o 113.7992 2.661284 1566.903       73.20737 1653.590       105.9381 1487.672       101.2805 116.8075 3.748687 110.7909 3.778502 6.016655       5.322567 
1 1 1 -37 13 10 o 151.1866 2.748879 2762.549       100.3730 2983.655       146.6481 2567.676       137.6743 156.8613 3.864191 145.5120 3.910673 11.34924       5.497757 
1 1 1 -37 13 11 o 37.75090 4.580227 177.4710       40.68002 158.6831       58.12785 195.5056       56.95068 35.43754 7.028035 40.06425 5.875428 -4.626713      9.160454 
1 1 1 -37 13 12 o 40.23254 4.365488 202.2363       40.56965 153.4136       56.57227 253.9287       58.21112 34.80463 6.961543 45.66045 5.269428 -10.85581      8.730976 
1 1 1 -37 13 13 o 93.08184 2.705854 1053.099       60.93364 1050.213       85.77496 1056.040       86.57701 92.95454 3.814060 93.20914 3.839209 -0.2545929     5.411708 
1 1 1 -37 13 14 o 61.55401 3.169311 462.7561       47.15213 448.8773       67.49287 475.9883       65.90195 60.63737 4.600607 62.47064 4.360336 -1.833271      6.338622 
1 1 1 -37 13 15 o 112.9921 2.613728 1556.658       71.42455 1601.271       100.8246 1511.717       101.1956 114.6316 3.635463 111.3525 3.756289 3.279083       5.227456 
1 1 1 -37 13 16 o 20.27073 5.443953 38.10889       36.50952 41.62066       55.98656 35.51058       48.15781 21.01960 7.981803 19.52187 7.405221 1.497728       10.88791 
1 1 1 -37 13 17 o 54.89524 3.494730 380.9745       45.28663 313.6358       67.58997 435.8315       61.00499 50.23668 5.561078 59.55380 4.234026 -9.317123      6.989461 
1 1 1 -37 13 18 o 100.9740 3.890268 1254.677       95.03671 1254.677       95.03671 0.000000       0.000000 100.9740 3.890268 ?        ?        ?              ?        
1 1 1 -37 13 19 f 20.80319 5.478370 18.03592       41.13626 102.0177       65.98425 -35.35542      52.61180 27.43726 8.786329 14.16912 6.546033 13.26814       10.95674 
1 1 1 -37 13 20 o 23.35984 6.310140 63.13064       54.00246 -51.98096      109.2296 100.3688       62.12622 20.00633 9.307930 26.71336 8.522552 -6.707029      12.62028 
1 1 1 -37 15 1  o 50.74016 4.153183 318.2295       49.84000 244.1024       71.08852 389.8893       69.89542 44.80046 6.558654 56.67985 5.097036 -11.87939      8.306366 
1 1 1 -37 15 2  o 135.2519 2.779407 2214.266       90.88361 2144.831       125.6490 2290.454       131.6162 133.0327 3.903899 137.4711 3.957270 -4.438431      5.558814 
1 1 1 -37 15 3  o 103.1856 3.992805 1290.463       99.67809 0.000000       0.000000 1290.463       99.67809 ?        ?        103.1856 3.992805 ?              ?        
1 1 1 -37 15 4  o 139.6656 2.788858 2350.536       93.96233 2150.957       127.5434 2587.423       138.9543 133.2185 3.957230 146.1126 3.930807 -12.89417      5.577716 
1 1 1 -37 15 5  o 128.2954 2.733745 1991.665       84.77813 1918.963       116.9204 2072.266       123.1075 125.8321 3.840577 130.7586 3.891454 -4.926476      5.467490 
1 1 1 -37 15 6  o 173.2612 4.107984 3639.691       172.1997 3639.691       172.1997 0.000000       0.000000 173.2612 4.107984 ?        ?        ?              ?        
1 1 1 -37 15 7  o 188.3698 3.607533 4371.248       158.6771 4567.026       202.3113 4058.299       255.7846 194.0343 4.309624 182.7054 5.786563 11.32886       7.215065 
1 1 1 -37 15 8  o 125.0573 2.716646 1895.765       82.17448 1844.340       114.8275 1949.747       117.6484 123.3192 3.848688 126.7953 3.835135 -3.476120      5.433292 
1 1 1 -37 15 9  o 235.4989 3.429106 6716.433       194.9849 7125.275       287.0679 6366.259       265.6737 242.1169 4.900690 228.8809 4.797741 13.23601       6.858212 
1 1 1 -37 15 10 o 139.3634 3.838563 2357.576       129.4254 2357.576       129.4254 0.000000       0.000000 139.3634 3.838563 ?        ?        ?              ?        
1 1 1 -37 15 11 f 88.87972 2.790946 959.8718       60.00006 963.8553       85.87929 956.0731       83.86244 89.05586 3.985875 88.70358 3.907725 0.3522797      5.581892 
1 1 1 -37 15 12 o 137.3542 2.701113 2292.110       89.70651 2400.527       129.1965 2191.183       124.6537 140.4906 3.801030 134.2178 3.838777 6.272827       5.402225 
1 1 1 -37 15 13 o 34.59496 5.332644 152.7553       43.48309 188.7118       64.04582 122.0076       59.22541 38.45780 7.146482 30.73213 7.916829 7.725670       10.66529 
1 1 1 -37 15 14 o 20.84877 5.720173 33.39673       42.52700 5.639191       62.34560 57.54998       58.15715 18.73607 7.939780 22.96148 8.236589 -4.225414      11.44035 
1 1 1 -37 15 15 o 111.1754 2.730204 1511.279       73.42635 1486.908       103.9807 1535.520       103.7009 110.2702 3.897556 112.0807 3.824280 -1.810493      5.460408 
1 1 1 -37 15 16 o 111.0682 2.751541 1512.357       73.90533 1518.112       106.1943 1506.952       102.9185 111.2523 3.945392 110.8842 3.836378 0.3681030      5.503082 
1 1 1 -37 15 17 o 51.01995 5.010971 323.8760       61.85350 0.000000       0.000000 323.8760       61.85350 ?        ?        51.01995 5.010971 ?              ?        
1 1 1 -37 15 18 o 48.96740 4.193793 297.5517       49.08368 363.4899       76.47878 251.3691       64.00468 53.47767 5.911071 44.45712 5.950700 9.020546       8.387586 
1 1 1 -37 15 19 o 65.08839 3.600964 533.2720       56.40450 614.7048       84.04779 466.5440       76.08179 69.63108 4.989085 60.54569 5.193919 9.085392       7.201928 
1 1 1 -37 15 20 o 26.18023 7.387756 90.46932       65.17999 114.3724       123.9472 81.33254       76.63135 27.94167 11.46334 24.41879 9.322425 3.522882       14.77551 
1 1 1 -37 17 2  o 215.2193 3.280646 5624.235       170.7670 5558.457       237.9784 5694.056       245.1847 213.9303 4.597936 216.5083 4.680762 -2.578003      6.561292 
1 1 1 -37 17 3  o 297.4402 5.752614 10768.80       413.9685 10768.80       413.9685 0.000000       0.000000 297.4402 5.752614 ?        ?        ?              ?        
1 1 1 -37 17 4  o 201.1026 3.157963 4908.371       153.5676 4839.146       213.1713 4983.057       221.4182 199.6382 4.413497 202.5670 4.517959 -2.928802      6.315925 
1 1 1 -37 17 5  o 179.2539 2.985916 3899.420       129.4441 3854.557       180.1762 3947.276       186.0902 178.1952 4.179256 180.3126 4.265748 -2.117340      5.971832 
1 1 1 -37 17 6  o 149.2237 2.801119 2702.172       101.1060 2681.748       141.2996 2723.602       144.7332 148.6500 3.928925 149.7974 3.993572 -1.147415      5.602238 
1 1 1 -37 17 7  o 52.88602 3.922848 343.9951       49.63938 313.0694       73.77192 369.5818       67.10246 50.66004 6.018985 55.11200 5.032572 -4.451958      7.845697 
1 1 1 -37 17 8  o 55.92415 3.845057 386.9286       50.89257 296.0700       72.11553 477.0724       71.83124 49.23445 6.054209 62.61384 4.741773 -13.37939      7.690114 
1 1 1 -37 17 9  o 37.03760 5.242311 174.2672       45.27971 179.8215       66.04217 169.3403       62.20070 37.58475 7.525337 36.49045 7.300452 1.094296       10.48462 
1 1 1 -37 17 10 o 58.57410 3.564599 419.6778       50.36145 409.2317       73.61199 428.8694       69.05037 57.86340 5.258264 59.28480 4.814158 -1.421406      7.129198 
1 1 1 -37 17 11 o 114.1702 3.906151 1587.743       107.8957 1587.743       107.8957 0.000000       0.000000 114.1702 3.906151 ?        ?        ?              ?        
1 1 1 -37 17 12 o 185.1870 3.050207 4187.516       136.6094 4065.007       190.1682 4318.146       196.3707 182.3922 4.309525 187.9818 4.317760 -5.589645      6.100414 
1 1 1 -37 17 13 o 52.03712 4.122765 335.3953       51.04030 331.1846       79.43463 338.3562       66.61066 51.65282 6.356434 52.42142 5.252095 -0.7686005     8.245530 
1 1 1 -37 17 14 o 57.63676 3.887422 408.9631       54.05284 448.3930       79.99451 375.8343       73.32475 60.17946 5.494265 55.09406 5.501023 5.085400       7.774844 
1 1 1 -37 17 15 o 28.27315 6.265053 104.8836       47.33039 96.34650       75.06951 110.5163       60.97710 27.66146 9.394716 28.88484 8.291133 -1.223389      12.53011 
1 1 1 -37 17 16 o 85.31535 3.093308 891.7405       63.49300 986.3342       96.19833 818.7252       84.51688 89.24970 4.455110 81.38100 4.292577 7.868698       6.186616 
1 1 1 -37 17 17 o 51.30168 5.109484 375.6435       55.46399 209.9115       82.73819 510.9010       74.74525 38.72428 9.002028 63.87908 4.836405 -25.15480      10.21897 
1 1 1 -37 17 18 f 20.95318 6.064923 35.77981       49.57699 10.16402       76.84083 54.04705       64.88952 19.83625 8.614937 22.07011 8.539089 -2.233856      12.12985 
1 1 1 -37 17 19 o 18.47439 5.814675 0.6196829E-01  52.39971 -6.832161      73.29443 7.269483       74.94178 17.98704 8.080203 18.96174 8.363736 -0.9746971     11.62935 
1 1 1 -37 19 1  o 84.52454 2.990905 866.2791       61.02769 950.6404       89.04454 791.5522       83.80585 88.39940 4.163472 80.64968 4.295062 7.749718       5.981810 
1 1 1 -37 19 2  o 112.8493 2.838987 1543.846       77.39472 1441.999       106.3793 1658.377       112.8088 108.9034 4.037508 116.7952 3.992232 -7.891838      5.677973 
1 1 1 -37 19 3  o 211.2011 3.251367 5429.726       166.1126 5548.087       237.0817 5315.587       232.8139 213.4636 4.590625 208.9386 4.605617 4.525024       6.502734 
1 1 1 -37 19 4  o 135.7443 2.789100 2233.706       91.45523 2409.548       133.1245 2076.542       125.8558 140.7955 3.908112 130.6931 3.980323 10.10242       5.578200 
1 1 1 -37 19 5  o 37.81797 5.326478 180.4930       46.88237 205.5190       70.02044 160.1573       63.11875 40.23726 7.467678 35.39869 7.597319 4.838570       10.65296 
1 1 1 -37 19 6  o 50.84835 4.067650 315.9170       49.97129 326.2218       73.01399 306.8368       68.53831 51.61728 5.846671 50.07941 5.656814 1.537872       8.135300 
1 1 1 -37 19 7  o 101.8234 2.904713 1263.840       71.47374 1203.515       101.6286 1322.878       100.5385 99.39716 4.226099 104.2497 3.986164 -4.852524      5.809425 
1 1 1 -37 19 8  o 42.57359 8.122877 218.1488       83.73383 158.8340       103.2759 331.9453       143.0481 35.25068 10.95394 49.89650 11.99732 -14.64583      16.24575 
1 1 1 -37 19 9  o 23.68182 5.931236 51.66673       44.72365 100.9985       67.40074 12.85940       59.78032 28.36491 8.854928 18.99872 7.893572 9.366194       11.86247 
1 1 1 -37 19 10 f 55.57646 3.871219 379.4255       52.00103 403.5178       75.07550 357.2075       72.09609 57.27936 5.417485 53.87355 5.531384 3.405807       7.742439 
1 1 1 -37 19 11 o 29.79671 6.126599 116.8982       47.57471 87.97643       72.86559 138.3884       62.81028 27.06594 9.255473 32.52748 8.029763 -5.461533      12.25320 
1 1 1 -37 19 12 o 39.53470 5.278678 197.8945       49.20155 243.2191       73.50963 161.1107       66.22251 44.05566 6.896682 35.01374 7.993344 9.041924       10.55736 
1 1 1 -37 19 13 o 42.54794 4.999066 229.6872       50.25009 255.3510       75.22446 209.0074       67.52597 44.99138 6.910786 40.10450 7.225213 4.886875       9.998133 
1 1 1 -37 19 14 o 55.97770 4.213977 393.8250       55.83814 392.3735       88.36032 394.7901       72.04736 55.67272 6.560131 56.28268 5.291040 -0.6099625     8.427955 
1 1 1 -37 19 15 o 44.71696 5.228743 259.6406       55.08474 299.7658       82.27074 227.0352       74.16193 48.23033 7.050548 41.20360 7.723261 7.026730       10.45749 
1 1 1 -37 19 16 o 38.65396 6.367839 210.3797       58.15106 218.0678       87.50626 204.2996       77.81944 39.08022 9.375290 38.22769 8.619828 0.8525314      12.73568 
1 1 1 -37 19 17 o 39.28642 6.627062 226.7339       62.11712 254.3194       91.19186 202.8548       84.84489 41.63084 9.289719 36.94198 9.453726 4.688862       13.25412 
1 1 1 -37 19 18 o 55.64585 5.286777 438.0586       67.23678 328.3343       94.05921 552.7142       96.14957 47.08655 8.572439 64.20515 6.189778 -17.11860      10.57355 
1 1 1 -37 21 1  o 143.4879 2.875631 2512.423       99.81844 2560.763       141.8979 2465.070       140.4426 144.8596 4.048801 142.1162 4.084631 2.743408       5.751261 
1 1 1 -37 21 2  o 70.37230 3.432609 608.9312       58.18694 567.4710       84.31983 646.6240       80.39771 68.02733 5.123232 72.71726 4.569870 -4.689934      6.865218 
1 1 1 -37 21 3  o 77.04378 3.209238 721.7838       59.63726 803.1157       87.81694 652.1687       81.24551 81.06097 4.477795 73.02657 4.598499 8.034401       6.418476 
1 1 1 -37 21 4  o 42.55070 5.014316 230.9430       49.57616 208.1312       74.60397 248.9827       66.34335 40.17003 7.957794 44.93137 6.103028 -4.761341      10.02863 
1 1 1 -37 21 5  o 74.15395 3.349321 680.1010       59.46054 596.2946       86.63695 754.7286       81.75504 69.71277 5.136751 78.59512 4.299487 -8.882347      6.698641 
1 1 1 -37 21 6  o 32.15431 6.055552 136.8720       48.14629 113.6608       74.04252 153.8763       63.37386 29.87844 9.273370 34.43019 7.789960 -4.551756      12.11110 
1 1 1 -37 21 7  o 67.12448 3.615916 548.6599       58.31976 595.8709       88.99456 513.1256       77.20863 69.59637 5.285360 64.65259 4.936028 4.943779       7.231833 
1 1 1 -37 21 8  o 89.24614 3.160636 976.2161       68.21539 940.0184       96.12091 1012.946       96.82520 87.56165 4.537344 90.93064 4.401248 -3.368996      6.321271 
1 1 1 -37 21 9  o 17.81028 5.357215 -30.64476      47.26048 -131.6655      71.94157 46.04872       62.68360 13.51282 6.608678 22.10773 8.433527 -8.594904      10.71443 
1 1 1 -37 21 10 o 79.13214 3.269868 765.4288       61.92081 936.2117       91.46754 620.9462       84.13035 87.30914 4.330171 70.95515 4.900794 16.35398       6.539737 
1 1 1 -37 21 11 o 73.24641 3.484609 661.8215       61.65232 698.1208       90.35937 630.2037       84.33150 75.10535 4.972788 71.38747 4.882762 3.717880       6.969217 
1 1 1 -37 21 12 o 29.74556 6.276206 117.0576       52.33247 56.42333       76.33955 170.8148       71.88018 23.92423 9.260367 35.56689 8.473999 -11.64266      12.55241 
1 1 1 -37 21 13 o 70.14403 3.733981 612.7126       62.53587 638.8422       97.37563 594.3712       81.58345 71.23473 5.650101 69.05334 4.883319 2.181389       7.467962 
1 1 1 -37 21 14 o 25.83801 6.670739 78.29533       55.61177 117.2447       81.27330 44.00315       76.25974 29.18342 9.775868 22.49259 9.078955 6.690825       13.34148 
1 1 1 -37 21 15 o 27.96041 6.809138 109.7904       55.82349 107.0141       79.93710 112.4332       77.99151 27.71307 9.683022 28.20776 9.575831 -0.4946861     13.61828 
1 1 1 -37 21 16 o 49.13135 5.891238 341.4179       66.88500 251.2721       90.92666 447.7097       98.73434 40.83823 9.397943 57.42447 7.106714 -16.58624      11.78248 
1 1 1 -37 21 17 o 20.37782 6.422931 11.31950       64.12986 -17.61727      86.04353 47.48234       96.18879 18.35441 8.440495 22.40122 9.683710 -4.046808      12.84586 
1 1 1 -37 23 1  o 94.42213 3.128066 1094.685       71.43520 1125.704       102.5779 1065.475       99.53989 95.71817 4.429523 93.12609 4.417977 2.592079       6.256133 
1 1 1 -37 23 2  o 41.39643 5.555335 229.4193       52.91562 177.5527       81.18236 267.7334       69.77448 36.44289 9.204947 46.34997 6.222212 -9.907085      11.11067 
1 1 1 -37 23 3  o 98.22626 4.438081 1184.976       105.4691 1184.976       105.4691 0.000000       0.000000 98.22626 4.438081 ?        ?        ?              ?        
1 1 1 -37 23 4  o 79.30289 3.431977 781.4155       65.24422 684.0363       94.27048 870.9433       90.39029 74.40178 5.237091 84.20399 4.436974 -9.802208      6.863954 
1 1 1 -37 23 5  o 31.83847 6.391416 135.4484       51.62395 120.1507       78.18588 147.2724       68.73786 30.36562 9.546535 33.31132 8.500852 -2.945696      12.78283 
1 1 1 -37 23 6  o 27.50427 6.721368 92.43269       54.31911 94.99229       79.32236 90.17252       74.53828 27.85555 9.650620 27.15300 9.358029 0.7025509      13.44274 
1 1 1 -37 23 7  o 84.29659 3.284851 875.9231       66.81953 962.5916       95.86229 794.0217       93.18861 88.40621 4.481906 80.18697 4.803488 8.219238       6.569702 
1 1 1 -37 23 8  o 21.58672 6.223487 20.45224       51.36970 64.95202       81.55556 -8.813601      66.13861 25.15217 9.613729 18.02127 7.905907 7.130903       12.44697 
1 1 1 -37 23 9  o 91.32536 3.207365 1031.963       70.77263 968.8818       99.83131 1095.697       100.3459 88.46080 4.664591 94.18993 4.403448 -5.729134      6.414730 
1 1 1 -37 23 10 o 83.27302 4.662147 860.8620       93.92745 0.000000       0.000000 860.8620       93.92745 ?        ?        83.27302 4.662147 ?              ?        
1 1 1 -37 23 11 o 57.36659 6.517434 421.2973       90.45612 421.2973       90.45612 0.000000       0.000000 57.36659 6.517434 ?        ?        ?              ?        
1 1 1 -37 23 12 o 61.04638 4.291300 475.8512       63.20763 496.2737       93.56043 458.7041       85.73014 62.16166 6.221102 59.93111 5.912606 2.230549       8.582600 
1 1 1 -37 23 13 o 58.03771 4.585470 439.7086       64.19389 434.7045       87.33203 445.5903       94.68028 57.83767 6.241090 58.23775 6.719742 -0.4000816     9.170940 
1 1 1 -37 23 14 o 81.08578 3.646423 843.7758       71.46361 819.7515       98.44919 870.5343       103.9006 79.92767 5.091113 82.24390 5.221703 -2.316231      7.292847 
1 1 1 -37 23 15 o 23.61201 6.602282 48.70290       65.95409 143.0396       88.07367 -71.74194      99.51760 29.55989 10.17314 17.66412 8.418296 11.89577       13.20456 
1 1 1 -37 25 1  o 67.24020 3.979388 566.3037       64.53046 591.4824       95.87794 545.4525       87.25063 68.53163 5.782629 65.94876 5.468391 2.582870       7.958775 
1 1 1 -37 25 2  o 53.75424 4.707261 368.6717       60.68586 363.6776       91.56609 372.5836       81.04019 53.23845 7.108974 54.27003 6.172173 -1.031590      9.414522 
1 1 1 -37 25 3  o 80.08105 3.566813 800.6948       68.97435 758.4761       98.60867 841.1389       96.51398 77.92176 5.230630 82.24034 4.850684 -4.318581      7.133627 
1 1 1 -37 25 4  o 35.28678 6.663617 166.5293       57.82474 217.5724       90.42949 131.2209       75.21072 39.58424 9.551990 30.98931 9.293796 8.594927       13.32723 
1 1 1 -37 25 5  o 41.45787 5.821880 230.2490       56.22315 253.3471       83.06028 210.7158       76.38196 43.42457 8.206695 39.49118 8.259984 3.933395       11.64376 
1 1 1 -37 25 6  o 33.85386 6.590338 162.1434       56.57054 127.0986       85.70975 189.1943       75.30248 30.52140 10.03235 37.18631 8.548816 -6.664911      13.18068 
1 1 1 -37 25 7  o 28.81807 6.723549 112.5302       54.42315 104.1751       81.88280 119.1418       72.84026 28.15253 9.802206 29.48361 9.205500 -1.331081      13.44710 
1 1 1 -37 25 8  o 44.31974 5.839952 264.6951       59.74427 289.6030       92.35987 246.7741       78.34231 45.91042 8.632010 42.72905 7.868199 3.181366       11.67990 
1 1 1 -37 25 9  o 36.80569 6.577432 191.8595       58.41088 214.8420       87.55689 173.4285       78.40903 38.73080 9.431821 34.88057 9.170124 3.850224       13.15486 
1 1 1 -37 25 10 o 115.9815 3.153330 1687.365       88.44465 1753.504       125.7784 1622.676       124.3923 118.2889 4.395010 113.6741 4.523035 4.614853       6.306660 
1 1 1 -37 25 11 o 21.15027 6.401721 15.72582       60.29330 -29.57215      84.62314 62.43045       85.92702 18.37943 8.421853 23.92112 9.643679 -5.541689      12.80344 
1 1 1 -37 25 12 o 41.75735 6.566933 263.3909       64.77996 298.7742       93.02579 230.0788       90.26211 44.94823 8.869350 38.56646 9.686747 6.381767       13.13387 
1 1 1 -37 25 13 f 47.64258 6.140638 335.6118       68.84044 284.2417       91.35999 403.0916       104.7100 42.84819 9.094303 52.43696 8.253690 -9.588768      12.28128 
1 1 1 -36 0  1  o 15.17823 5.941884 38.18142       45.22993 38.18142       45.22993 38.18142       45.22993 15.17823 8.403092 15.17823 8.403092 0.000000       0.000000 
1 1 1 -36 0  2  o 116.1235 2.425446 1635.859       96.17692 1635.859       96.17692 1635.859       96.17692 116.1235 3.430098 116.1235 3.430098 0.000000       0.000000 
1 1 1 -36 0  3  o 224.9409 3.228384 6130.814       248.2373 6130.814       248.2373 6130.814       248.2373 224.9409 4.565624 224.9409 4.565624 0.000000       0.000000 
1 1 1 -36 0  4  o 264.9341 3.641554 8504.848       329.8159 8504.848       329.8159 8504.848       329.8159 264.9341 5.149935 264.9341 5.149935 0.000000       0.000000 
1 1 1 -36 0  5  o 637.6273 7.941089 49358.76       1731.252 49358.76       1731.252 49358.76       1731.252 637.6273 11.23040 637.6273 11.23040 0.000000       0.000000 
1 1 1 -36 0  6  o 189.5108 2.872577 4352.154       186.0683 4352.154       186.0683 4352.154       186.0683 189.5108 4.062437 189.5108 4.062437 0.000000       0.000000 
1 1 1 -36 0  7  o 187.6332 2.857773 4266.551       183.2735 4266.551       183.2735 4266.551       183.2735 187.6332 4.041501 187.6332 4.041501 0.000000       0.000000 
1 1 1 -36 0  8  o 162.1312 2.625039 3186.096       145.4471 3186.096       145.4471 3186.096       145.4471 162.1312 3.712366 162.1312 3.712366 0.000000       0.000000 
1 1 1 -36 0  9  o 130.3621 3.358496 2065.437       149.3495 2065.437       149.3495 2065.437       149.3495 130.3621 4.749631 130.3621 4.749631 0.000000       0.000000 
1 1 1 -36 0  10 o 258.8204 5.050435 8136.823       446.4738 8136.823       446.4738 8136.823       446.4738 258.8204 7.142393 258.8204 7.142393 0.000000       0.000000 
1 1 1 -36 0  11 o 54.83720 2.519838 368.5364       46.82070 368.5364       46.82070 368.5364       46.82070 54.83720 3.563588 54.83720 3.563588 0.000000       0.000000 
1 1 1 -36 0  12 o 139.5206 2.490992 2360.564       118.7413 2360.564       118.7413 2360.564       118.7413 139.5206 3.522794 139.5206 3.522794 0.000000       0.000000 
1 1 1 -36 0  13 o 111.4143 2.378012 1506.561       90.46401 1506.561       90.46401 1506.561       90.46401 111.4143 3.363017 111.4143 3.363017 0.000000       0.000000 
1 1 1 -36 0  14 o 14.42451 5.637656 34.71078       40.64223 34.71078       40.64223 34.71078       40.64223 14.42451 7.972849 14.42451 7.972849 0.000000       0.000000 
1 1 1 -36 0  15 f 135.1450 2.456882 2216.083       113.4363 2216.083       113.4363 2216.083       113.4363 135.1450 3.474555 135.1450 3.474555 0.000000       0.000000 
1 1 1 -36 0  16 o 159.9706 2.625843 3105.732       143.5481 3105.732       143.5481 3105.732       143.5481 159.9706 3.713503 159.9706 3.713503 0.000000       0.000000 
1 1 1 -36 0  17 o 115.1689 2.341679 1611.613       92.10153 1611.613       92.10153 1611.613       92.10153 115.1689 3.311634 115.1689 3.311634 0.000000       0.000000 
1 1 1 -36 0  18 f 45.53545 2.658320 256.7897       40.76709 256.7897       40.76709 256.7897       40.76709 45.53545 3.759432 45.53545 3.759432 0.000000       0.000000 
1 1 1 -36 2  1  o 354.3173 5.350731 15123.30       393.5859 15029.21       451.8145 15419.39       801.4941 352.2668 5.301346 356.3678 9.296075 -4.101013      10.70146 
1 1 1 -36 2  2  o 203.8728 3.494734 4942.321       146.8271 4862.464       167.5611 5206.425       304.7225 200.4411 3.455286 207.3045 6.075660 -6.863342      6.989467 
1 1 1 -36 2  3  o 138.7702 2.879749 2338.915       83.80076 2346.874       96.89251 2315.289       166.9430 139.2633 2.875750 138.2770 4.990177 0.9863434      5.759497 
1 1 1 -36 2  4  o 78.40511 2.727369 724.6417       44.56305 706.6547       51.02078 782.5104       91.51450 76.41862 2.759596 80.39159 4.705188 -3.972969      5.454738 
1 1 1 -36 2  5  o 400.7093 5.932931 19568.91       501.0493 19658.24       581.0765 19309.94       989.3642 402.8065 5.962584 398.6121 10.25896 4.194458       11.86586 
1 1 1 -36 2  6  o 312.0313 4.739171 12038.33       318.3676 12333.83       375.5665 11283.76       600.1545 319.1296 4.864266 304.9330 8.134977 14.19669       9.478341 
1 1 1 -36 2  7  o 425.8604 6.274239 22148.30       564.3803 22275.23       655.5194 21784.65       1109.540 428.6650 6.320702 423.0559 10.84034 5.609100       12.54848 
1 1 1 -36 2  8  o 48.49350 3.758602 284.7077       44.09732 284.7077       44.09732 0.000000       0.000000 48.49350 3.758602 ?        ?        ?              ?        
1 1 1 -36 2  9  o 72.88855 2.920297 672.2952       47.80758 732.5087       59.25674 560.0238       80.91429 77.79084 3.148524 67.98627 4.919282 9.804573       5.840594 
1 1 1 -36 2  10 o 86.95515 3.244770 912.5073       68.12912 984.5330       99.98804 850.0892       93.08063 90.14567 4.584594 83.76465 4.592998 6.381020       6.489540 
1 1 1 -36 2  11 o 205.3249 3.480636 5199.078       152.4415 5303.402       178.6499 4919.691       292.3560 209.2774 3.528404 201.3725 6.000806 7.904861       6.961272 
1 1 1 -36 2  12 o 120.1248 2.389229 1741.072       69.31031 1879.340       101.4865 1620.206       94.88527 124.5788 3.367146 115.6708 3.390572 8.908058       4.778457 
1 1 1 -36 2  13 o 29.29130 4.381352 107.4665       31.07192 156.3841       44.74680 61.91526       43.17975 35.90585 5.151036 22.67675 7.088851 13.22910       8.762704 
1 1 1 -36 2  14 o 232.8725 3.309688 6577.802       186.4566 6519.555       261.8195 6637.743       265.6001 231.8283 4.668025 233.9167 4.693153 -2.088379      6.619377 
1 1 1 -36 2  15 o 38.91155 3.229177 184.5771       30.27082 167.8810       43.30491 200.5303       42.33052 37.17585 4.814752 40.64726 4.304473 -3.471416      6.458353 
1 1 1 -36 2  16 f 111.5276 2.313196 1508.524       62.41396 1525.953       88.62665 1491.375       87.91104 112.1672 3.265849 110.8881 3.276848 1.279091       4.626392 
1 1 1 -36 2  17 o 96.01468 2.284802 1119.244       53.06928 1140.965       75.60745 1098.150       74.50723 96.93356 3.223949 95.09580 3.238432 1.837753       4.569605 
1 1 1 -36 2  18 o 73.70896 3.189614 660.6916       56.88015 660.6916       56.88015 0.000000       0.000000 73.70896 3.189614 ?        ?        ?              ?        
1 1 1 -36 2  19 o 43.20697 3.274850 227.4974       34.23320 227.4974       34.23320 0.000000       0.000000 43.20697 3.274850 ?        ?        ?              ?        
1 1 1 -36 4  1  o 196.6989 3.431428 4667.511       140.5865 4650.215       161.7270 4721.000       284.4066 196.0113 3.410352 197.3864 5.955526 -1.375137      6.862856 
1 1 1 -36 4  2  o 130.7523 2.857527 2104.162       78.86105 2141.664       91.83058 1998.810       153.9152 133.0329 2.853159 128.4717 4.951900 4.561234       5.715053 
1 1 1 -36 4  3  o 521.0352 7.605453 32864.10       824.2808 32723.26       947.7204 33301.61       1670.306 519.4406 7.541227 522.6298 13.20990 -3.189270      15.21091 
1 1 1 -36 4  4  o 275.2421 4.308222 9319.227       253.1515 9481.893       296.6009 8882.808       485.8221 279.8462 4.380774 270.6379 7.419698 9.208221       8.616444 
1 1 1 -36 4  5  o 308.5424 4.661409 11975.01       319.2701 12733.62       388.8071 10404.52       559.4281 324.2513 4.956215 292.8334 7.896258 31.41788       9.322819 
1 1 1 -36 4  6  o 114.8478 2.695833 1552.867       64.18958 1513.495       73.30289 1682.332       132.9254 111.8334 2.709238 117.8623 4.661556 -6.028854      5.391667 
1 1 1 -36 4  7  o 118.5503 2.732286 1731.536       68.14146 1763.495       79.22600 1640.690       133.5733 120.7147 2.712721 116.3858 4.743701 4.328918       5.464573 
1 1 1 -36 4  8  o 147.7701 3.108506 2594.985       103.2534 2514.555       123.8703 2778.108       186.9084 144.1196 3.552564 151.4206 5.102013 -7.301010      6.217013 
1 1 1 -36 4  9  o 169.8368 3.119669 3450.739       109.6051 3411.410       125.4458 3577.632       225.3297 167.8754 3.088636 171.7983 5.421224 -3.922928      6.239338 
1 1 1 -36 4  10 o 145.5900 2.916261 2414.405       85.20192 2303.456       95.52932 2845.925       188.3970 137.9488 2.862309 153.2312 5.081879 -15.28247      5.832522 
1 1 1 -36 4  11 o 143.0294 3.110589 2519.443       102.0009 2613.542       126.8666 2347.412       171.5371 146.9082 3.569432 139.1505 5.095314 7.757675       6.221179 
1 1 1 -36 4  12 o 205.8452 3.539343 5135.153       152.1474 5132.451       175.4012 5143.367       305.7826 205.8593 3.521760 205.8310 6.140441 0.2827454E-01  7.078687 
1 1 1 -36 4  13 o 71.98018 3.097937 620.2651       44.77795 614.1887       50.62204 642.1178       96.00001 71.22137 2.937833 72.73898 5.455089 -1.517601      6.195874 
1 1 1 -36 4  14 o 148.4295 3.032820 2673.566       93.30367 2675.141       107.2073 2668.650       189.4479 148.6173 2.981623 148.2417 5.282228 0.3756256      6.065641 
1 1 1 -36 4  15 o 47.44941 2.940259 274.4254       33.60199 249.2600       48.12884 298.3573       46.93444 45.30901 4.390546 49.58981 3.911983 -4.280796      5.880519 
1 1 1 -36 4  16 o 70.96146 2.440428 602.9380       41.14101 785.2404       61.90040 458.6880       55.06242 80.45885 3.179928 61.46405 3.702813 18.99480       4.880857 
1 1 1 -36 4  17 o 59.05089 2.565579 422.6832       36.44528 489.3043       53.11088 363.3936       50.10334 63.44856 3.459867 54.65322 3.789209 8.795341       5.131158 
1 1 1 -36 4  18 o 87.76360 3.192151 936.9949       67.77977 936.9949       67.77977 0.000000       0.000000 87.76360 3.192151 ?        ?        ?              ?        
1 1 1 -36 4  19 o 61.68708 3.303728 463.9738       49.30611 463.9738       49.30611 0.000000       0.000000 61.68708 3.303728 ?        ?        ?              ?        
1 1 1 -36 6  1  o 272.6254 4.296294 9138.888       249.6331 9288.882       292.1298 8732.897       480.6136 276.9635 4.359644 268.2874 7.404463 8.676117       8.592588 
1 1 1 -36 6  2  o 172.4752 3.230509 3582.060       115.2604 3563.290       132.1118 3641.880       235.8453 171.5830 3.182476 173.3674 5.622863 -1.784424      6.461017 
1 1 1 -36 6  3  f 129.0646 2.898937 2081.570       78.98042 2154.724       92.41573 1883.403       152.1042 133.4342 2.862704 124.6949 5.041851 8.739288       5.797873 
1 1 1 -36 6  4  o 509.5937 7.509986 31043.13       780.5563 30574.88       887.1985 32647.23       1642.080 502.0355 7.304393 517.1519 13.12423 -15.11642      15.01997 
1 1 1 -36 6  5  o 128.2645 2.896385 1989.690       76.89594 1987.552       88.25265 1996.431       156.6994 128.1522 2.846422 128.3768 5.045202 -0.2245789     5.792769 
1 1 1 -36 6  6  f 200.5759 3.474478 4918.584       146.8003 4966.157       170.4074 4781.678       289.0826 202.5446 3.477487 198.6072 6.016233 3.937363       6.948955 
1 1 1 -36 6  7  o 376.8143 5.577691 17632.47       455.2948 18149.60       539.8992 16359.31       847.1393 386.9383 5.767248 366.6904 9.548894 20.24796       11.15538 
1 1 1 -36 6  8  o 165.8340 3.136621 3339.013       108.5538 3346.642       125.1841 3315.884       217.9615 166.2738 3.111881 165.3942 5.446996 0.8795471      6.273242 
1 1 1 -36 6  9  o 102.2829 3.024580 1339.711       69.99702 1532.043       88.98165 1027.484       113.3730 112.4931 3.269433 92.07269 5.089514 20.42037       6.049161 
1 1 1 -36 6  10 o 98.27292 2.773924 1161.530       56.44649 1153.966       64.70924 1185.604       115.4433 97.63996 2.739280 98.90587 4.824413 -1.265907      5.547848 
1 1 1 -36 6  11 o 234.5475 3.890217 6558.452       186.9028 6460.561       212.8039 6888.757       390.8997 230.9497 3.808552 238.1453 6.784548 -7.195618      7.780435 
1 1 1 -36 6  12 f 157.9001 3.058193 3018.889       116.8287 3018.889       116.8287 0.000000       0.000000 157.9001 3.058193 ?        ?        ?              ?        
1 1 1 -36 6  13 o 302.8768 4.713115 11188.78       299.2481 11221.32       346.0025 11092.21       596.1222 304.1612 4.701897 301.5924 8.169822 2.568817       9.426230 
1 1 1 -36 6  14 o 82.09600 3.351017 828.3914       59.98597 842.1628       71.18144 794.6460       111.4249 83.35387 3.529707 80.83813 5.697229 2.515732       6.702034 
1 1 1 -36 6  15 o 164.0695 3.183525 3297.239       108.1607 3322.436       124.4638 3219.512       218.5999 165.5509 3.107486 162.5882 5.557235 2.962708       6.367050 
1 1 1 -36 6  16 o 88.63589 2.843590 936.0814       51.23754 920.3920       58.13036 990.7198       108.4796 87.12296 2.757834 90.14882 4.973768 -3.025864      5.687180 
1 1 1 -36 6  17 o 70.67392 2.415370 599.6685       40.89772 731.9724       61.43698 494.3844       54.80563 77.60047 3.272376 63.74738 3.553535 13.85310       4.830741 
1 1 1 -36 6  18 o 21.96098 4.483059 61.32184       25.68734 44.74895       37.60045 75.82594       35.17544 19.62119 6.648952 24.30076 6.015208 -4.679579      8.966119 
1 1 1 -36 6  19 o 80.57272 3.358392 792.3691       65.46689 792.3691       65.46689 0.000000       0.000000 80.57272 3.358392 ?        ?        ?              ?        
1 1 1 -36 6  20 o 12.95703 5.575881 -1.040990      31.60133 -1.040990      31.60133 0.000000       0.000000 12.95703 5.575881 ?        ?        ?              ?        
1 1 1 -36 8  1  o 210.2659 3.117088 5353.464       158.5493 5268.467       222.0864 5441.813       226.4215 208.5646 4.401281 211.9671 4.415164 -3.402573      6.234176 
1 1 1 -36 8  2  o 152.3380 2.653486 2809.146       97.77518 2835.600       140.0290 2783.978       136.5853 153.0367 3.781989 151.6393 3.722971 1.397369       5.306973 
1 1 1 -36 8  3  o 137.3720 2.544662 2284.062       84.55743 2223.913       118.6587 2346.122       120.5278 135.5343 3.618662 139.2097 3.578619 -3.675385      5.089325 
1 1 1 -36 8  4  o 181.6930 2.858276 3997.496       125.6448 4000.746       177.8184 3994.256       177.5589 181.7667 4.043524 181.6193 4.040900 0.1473694      5.716551 
1 1 1 -36 8  5  o 78.96986 2.522120 755.9072       48.07805 740.2235       69.97685 769.9301       66.16817 78.19064 3.699111 79.74909 3.429423 -1.558456      5.044240 
1 1 1 -36 8  6  o 43.31063 3.439095 228.5625       35.79337 213.5497       52.69132 241.4262       48.77423 41.97781 5.188204 44.64346 4.515754 -2.665653      6.878190 
1 1 1 -36 8  7  o 234.5712 3.335064 6664.229       189.2188 6769.676       271.4482 6564.563       263.9028 236.3730 4.746644 232.7693 4.686147 3.603714       6.670128 
1 1 1 -36 8  8  o 76.65416 2.513166 712.3403       46.54630 689.2251       66.85445 734.0864       64.84438 75.44353 3.662739 77.86478 3.442143 -2.421242      5.026331 
1 1 1 -36 8  9  o 105.1147 2.390562 1337.457       60.78558 1361.599       86.87329 1314.301       85.08227 106.0436 3.386099 104.1858 3.375424 1.857780       4.781124 
1 1 1 -36 8  10 o 154.1653 2.641156 2878.437       98.50491 2893.435       140.2006 2863.815       138.4302 154.5612 3.749275 153.7695 3.720989 0.7917175      5.282312 
1 1 1 -36 8  11 o 145.6802 2.609087 2570.017       91.94545 2518.948       128.8204 2623.051       131.2753 144.2052 3.692338 147.1552 3.687271 -2.949966      5.218173 
1 1 1 -36 8  12 o 292.0519 3.959288 10355.00       279.7534 10313.82       394.5849 10396.61       396.6855 291.4689 5.595591 292.6349 5.602964 -1.166016      7.918576 
1 1 1 -36 8  13 o 16.97534 5.038923 9.901310       32.71851 31.71976       35.24514 -126.1154      88.00014 17.73062 6.405659 16.22006 7.780137 1.510557       10.07785 
1 1 1 -36 8  14 o 66.75093 3.025720 539.9667       48.86393 539.9667       48.86393 0.000000       0.000000 66.75093 3.025720 ?        ?        ?              ?        
1 1 1 -36 8  15 o 23.61861 5.781176 59.30643       33.04641 59.59333       36.17239 57.85841       81.26366 21.88554 6.416095 25.35169 9.618819 -3.466156      11.56235 
1 1 1 -36 8  16 o 77.40279 3.464940 813.7745       50.87750 876.7448       57.84054 598.4533       106.9567 85.00457 2.812469 69.80100 6.333501 15.20357       6.929879 
1 1 1 -36 8  17 f 42.45026 4.764927 221.9887       36.42759 219.2506       40.18162 234.6223       86.31149 42.40213 3.916854 42.49837 8.687715 -0.9624100E-01 9.529855 
1 1 1 -36 8  18 o 129.1764 3.179695 2091.061       93.17085 2184.847       115.0064 1911.957       158.9291 133.8149 3.552345 124.5379 5.274723 9.277039       6.359391 
1 1 1 -36 8  19 o 21.25201 4.784288 54.92466       27.49308 66.56107       42.48889 46.54340       36.05959 22.86798 7.012847 19.63605 6.509811 3.231924       9.568577 
1 1 1 -36 8  20 o 39.72307 2.991028 192.0702       27.90514 207.1141       45.98309 183.3000       35.10914 40.84758 4.652962 38.59856 3.759645 2.249020       5.982055 
1 1 1 -36 10 1  o 221.6563 3.242178 5952.503       173.8670 5933.091       245.4100 5972.067       246.3628 221.2936 4.583751 222.0191 4.586513 -0.7254639     6.484356 
1 1 1 -36 10 2  o 163.6523 2.763793 3243.333       109.4276 3226.700       154.4900 3260.080       155.0194 163.2311 3.911968 164.0735 3.905218 -0.8424225     5.527587 
1 1 1 -36 10 3  o 136.9087 2.593559 2269.300       85.90070 2305.119       122.2927 2234.416       120.6871 137.9751 3.663512 135.8423 3.672175 2.132767       5.187117 
1 1 1 -36 10 4  o 244.6830 3.467519 7250.798       205.1895 7110.509       285.3543 7400.999       295.2627 242.2367 4.869026 247.1293 4.938353 -4.892517      6.935038 
1 1 1 -36 10 5  o 192.7688 2.984176 4501.000       139.1736 4468.105       196.2694 4534.268       197.3777 192.0602 4.223893 193.4774 4.216629 -1.417191      5.968353 
1 1 1 -36 10 6  o 157.9825 2.701734 3019.371       103.2020 3114.813       149.1744 2931.759       142.9255 160.3733 3.844678 155.5917 3.796829 4.781647       5.403467 
1 1 1 -36 10 7  o 187.6657 2.921233 4265.893       132.6280 4299.142       188.6225 4233.380       186.5239 188.3885 4.138442 186.9429 4.124042 1.445511       5.842467 
1 1 1 -36 10 8  o 36.36938 4.201126 162.6354       35.71405 198.0935       52.16260 131.3463       49.00020 40.41764 5.334405 32.32113 6.491684 8.096512       8.402252 
1 1 1 -36 10 9  o 185.4123 2.911367 4164.956       130.5944 4196.510       185.5729 4133.997       183.8163 186.1077 4.121431 184.7169 4.113155 1.390793       5.822735 
1 1 1 -36 10 10 o 227.2747 3.296418 6260.773       181.2343 6352.682       258.8368 6172.375       253.8443 228.9094 4.673691 225.6400 4.649958 3.269394       6.592836 
1 1 1 -36 10 11 o 60.05899 2.933584 436.3225       42.55936 472.3355       61.61148 403.4556       58.85888 62.42643 4.079349 57.69155 4.216940 4.734875       5.867169 
1 1 1 -36 10 12 o 211.6309 3.154915 5431.743       161.4963 5364.910       225.4160 5502.224       231.4854 210.2980 4.430445 212.9638 4.492784 -2.665833      6.309830 
1 1 1 -36 10 13 o 212.1697 3.155056 5465.873       161.9458 5450.797       227.7161 5481.300       230.3586 211.8772 4.442293 212.4622 4.481467 -0.5850067     6.310112 
1 1 1 -36 10 14 f 122.1175 2.504961 1808.734       73.98179 1741.988       103.5070 1878.446       105.7822 119.8123 3.570802 124.4228 3.514072 -4.610420      5.009923 
1 1 1 -36 10 15 o 44.72731 3.444520 243.9458       37.25612 245.9598       53.61266 242.0651       51.80981 44.90092 4.935256 44.55370 4.806466 0.3472252      6.889040 
1 1 1 -36 10 16 o 74.11142 2.677142 669.8406       47.91962 626.5137       67.89944 712.8351       67.63847 71.70330 3.914036 76.51953 3.653585 -4.816231      5.354284 
1 1 1 -36 10 17 o 39.08608 5.416556 240.8111       39.83768 272.8170       44.82539 120.5235       86.90008 47.26357 3.920084 30.90860 10.09897 16.35496       10.83311 
1 1 1 -36 10 18 o 44.29879 5.424088 298.6267       40.21786 322.7806       44.37841 187.6264       95.13486 51.39246 3.569193 37.20512 10.24421 14.18733       10.84818 
1 1 1 -36 10 19 o 124.0284 3.244148 1931.044       92.33680 1999.466       115.0600 1807.258       154.7617 127.6241 3.726399 120.4328 5.311491 7.191277       6.488297 
1 1 1 -36 10 20 o 42.17085 4.540012 225.2170       37.11882 221.0987       41.97932 239.9762       79.47049 42.25285 4.106551 42.08884 8.098338 0.1640015      9.080024 
1 1 1 -36 12 1  o 194.2893 3.035622 4569.669       142.6158 4688.450       205.8405 4460.009       197.7792 196.7132 4.325090 191.8655 4.260705 4.847702       6.071244 
1 1 1 -36 12 2  o 259.8992 3.645201 8186.819       229.1634 8067.079       320.2653 8312.449       328.0467 257.9551 5.131727 261.8434 5.178353 -3.888336      7.290402 
1 1 1 -36 12 3  o 151.6295 2.741070 2773.333       100.3474 2593.834       136.8009 2982.414       147.6438 146.3405 3.863866 156.9184 3.889010 -10.57788      5.482140 
1 1 1 -36 12 4  o 246.0811 3.504885 7317.818       208.2529 6996.356       283.7937 7692.897       306.5490 240.2509 4.882422 251.9112 5.029794 -11.66028      7.009769 
1 1 1 -36 12 5  f 159.7269 2.765920 3085.717       106.8065 3223.723       154.5853 2959.659       147.7414 163.1388 3.916594 156.3150 3.906603 6.823776       5.531840 
1 1 1 -36 12 6  o 240.0342 3.443084 6972.149       199.7197 6741.539       274.5073 7231.511       291.1166 235.8304 4.811182 244.2380 4.926646 -8.407639      6.886168 
1 1 1 -36 12 7  o 162.6597 3.930464 3205.271       154.6771 0.000000       0.000000 3205.271       154.6771 ?        ?        162.6597 3.930464 ?              ?        
1 1 1 -36 12 8  o 162.7152 3.924603 3207.694       154.4991 0.000000       0.000000 3207.694       154.4991 ?        ?        162.7152 3.924603 ?              ?        
1 1 1 -36 12 9  o 101.5394 2.615022 1248.815       64.22778 1285.126       91.49834 1213.544       90.17960 102.9952 3.671926 100.0836 3.724287 2.911621       5.230043 
1 1 1 -36 12 10 o 236.3476 3.405690 6769.189       194.5987 6579.728       268.9771 6977.270       281.8847 232.8876 4.773827 239.8076 4.858547 -6.919998      6.811380 
1 1 1 -36 12 11 o 135.5082 2.651280 2226.094       86.91265 2224.998       122.0683 2227.221       123.7756 135.4763 3.724236 135.5401 3.774548 -0.6373596E-01 5.302561 
1 1 1 -36 12 12 o 102.3205 2.610719 1268.589       64.59499 1219.316       89.77692 1321.476       93.01112 100.2620 3.701060 104.3791 3.683148 -4.117081      5.221439 
1 1 1 -36 12 13 f 63.63732 3.058720 494.8709       46.72653 564.1383       65.96767 425.1242       66.19550 68.15238 4.000809 59.12225 4.627807 9.030128       6.117439 
1 1 1 -36 12 14 o 54.05285 3.357164 356.6880       43.83437 336.8448       62.36599 376.0612       61.62302 52.55093 4.905295 55.55477 4.584789 -3.003838      6.714329 
1 1 1 -36 12 15 o 119.0454 2.590305 1724.818       74.52576 1720.218       102.9934 1729.874       107.9736 118.8953 3.580490 119.1955 3.744169 -0.3002167     5.180610 
1 1 1 -36 12 16 o 64.63590 2.987425 509.1877       46.63498 551.7158       67.99969 471.4230       64.07847 67.18267 4.183574 62.08913 4.265739 5.093540       5.974849 
1 1 1 -36 12 17 o 18.63719 5.223706 23.36725       34.72203 39.06525       54.28926 12.50099       45.16811 20.53933 7.845361 16.73505 6.899183 3.804287       10.44741 
1 1 1 -36 12 18 o 43.36396 4.043920 241.0991       41.18567 195.7091       61.95475 277.0414       55.13122 39.41017 6.497764 47.31776 4.815831 -7.907585      8.087840 
1 1 1 -36 12 19 o 87.21935 3.694924 936.4109       77.96877 0.000000       0.000000 936.4109       77.96877 ?        ?        87.21935 3.694924 ?              ?        
1 1 1 -36 12 20 o 61.20174 4.471555 468.7167       66.21017 468.7167       66.21017 0.000000       0.000000 61.20174 4.471555 ?        ?        ?              ?        
1 1 1 -36 14 1  o 242.1158 3.497699 7102.216       204.7736 7308.725       295.5896 6911.653       283.9484 245.4930 4.976771 238.7385 4.916030 6.754456       6.995399 
1 1 1 -36 14 2  o 249.6986 3.566241 7560.075       215.4128 7640.609       307.6881 7482.654       301.6802 250.9997 5.066818 248.3975 5.019926 2.602173       7.132482 
1 1 1 -36 14 3  o 117.5972 3.798321 1675.281       108.0665 1675.281       108.0665 0.000000       0.000000 117.5972 3.798321 ?        ?        ?              ?        
1 1 1 -36 14 4  o 228.9747 3.360911 6356.667       186.1845 6357.386       262.8123 6355.943       263.7998 228.9887 4.743834 228.9607 4.762240 0.2798462E-01  6.721822 
1 1 1 -36 14 5  o 253.9752 3.609822 7814.491       221.6600 8079.681       320.7438 7572.050       306.6783 258.0907 5.136694 249.8598 5.073227 8.230881       7.219644 
1 1 1 -36 14 6  o 85.32602 4.071656 882.2877       84.05332 882.2877       84.05332 0.000000       0.000000 85.32602 4.071656 ?        ?        ?              ?        
1 1 1 -36 14 7  o 34.92786 5.256626 154.5161       43.70573 123.8669       64.60552 180.3791       59.34720 31.33122 8.365698 38.52450 6.367382 -7.193277      10.51325 
1 1 1 -36 14 8  o 63.53389 3.241374 489.9370       49.66239 440.0463       69.55656 541.8174       70.93004 60.22511 4.773735 66.84267 4.386055 -6.617558      6.482748 
1 1 1 -36 14 9  o 216.6909 3.243156 5695.583       169.9756 5602.447       236.9544 5794.309       243.9625 214.8710 4.558108 218.5108 4.614747 -3.639801      6.486311 
1 1 1 -36 14 10 o 90.76939 2.724180 999.7567       59.79628 966.4737       84.68748 1032.847       84.44246 89.25782 3.921666 92.28096 3.782217 -3.023140      5.448361 
1 1 1 -36 14 11 o 195.5745 3.044876 4645.404       144.0530 4612.693       201.7509 4679.425       205.7515 194.8772 4.279098 196.2717 4.332943 -1.394501      6.089751 
1 1 1 -36 14 12 o 58.88319 3.399871 422.6649       48.08143 490.6656       69.07389 358.7440       66.96973 63.50747 4.495591 54.25892 5.101584 9.248547       6.799743 
1 1 1 -36 14 13 o 48.12473 3.759068 284.5160       43.54157 261.7627       63.05817 305.2505       60.19569 46.24556 5.635974 50.00389 4.975759 -3.758327      7.518137 
1 1 1 -36 14 14 o 107.6081 2.690914 1410.131       70.02808 1354.969       98.19675 1467.216       99.89439 105.4588 3.848681 109.7574 3.761879 -4.298637      5.381829 
1 1 1 -36 14 15 o 44.41610 4.324271 254.9467       43.41056 181.9314       62.81385 321.7050       60.06216 37.62587 7.161902 51.20633 4.848138 -13.58046      8.648542 
1 1 1 -36 14 16 o 99.32954 2.705594 1206.097       64.93533 1218.206       94.46449 1195.250       89.40876 99.77700 3.913234 98.88208 3.737319 0.8949203      5.411188 
1 1 1 -36 14 17 o 24.43295 5.840950 71.45677       40.00530 84.41836       65.57262 63.77192       50.49065 26.00856 8.780634 22.85733 7.705014 3.151228       11.68190 
1 1 1 -36 14 18 o 73.79520 3.035051 675.5292       54.01587 644.8636       78.37708 703.2706       74.54672 72.11754 4.492064 75.47285 4.082587 -3.355316      6.070103 
1 1 1 -36 14 19 o 53.94814 3.937862 362.9105       50.73030 412.7430       79.93584 329.3042       65.64398 56.87755 5.808959 51.01874 5.318178 5.858807       7.875723 
1 1 1 -36 14 20 o 54.38548 5.504594 399.9547       68.09717 424.1523       118.7621 388.1023       83.11813 54.49762 9.007373 54.27335 6.330046 0.2242737      11.00919 
1 1 1 -36 16 1  o 311.6090 4.221210 11802.89       318.1962 11681.22       445.7374 11929.33       454.3818 309.9785 5.943540 313.2395 5.995729 -3.261017      8.442419 
1 1 1 -36 16 2  o 197.9431 4.418540 4752.299       211.6028 4752.299       211.6028 0.000000       0.000000 197.9431 4.418540 ?        ?        ?              ?        
1 1 1 -36 16 3  o 149.5483 2.826360 2705.162       102.1258 2595.867       140.0829 2829.152       149.2037 146.3347 3.956722 152.7620 4.037028 -6.427368      5.652720 
1 1 1 -36 16 4  o 61.03954 3.541827 453.7881       52.12300 418.7756       74.69279 487.0219       72.77090 58.72616 5.257082 63.35292 4.747760 -4.626762      7.083653 
1 1 1 -36 16 5  o 196.1722 3.118901 4631.139       147.3253 4299.198       196.9643 5052.708       221.9685 188.2669 4.324255 204.0775 4.495663 -15.81065      6.237802 
1 1 1 -36 16 6  o 105.3366 3.922267 1345.460       99.95831 1345.460       99.95831 0.000000       0.000000 105.3366 3.922267 ?        ?        ?              ?        
1 1 1 -36 16 7  o 109.3757 3.180530 1448.618       82.69528 1432.939       107.1218 1471.743       130.0948 108.6797 4.074058 110.0717 4.885196 -1.391975      6.361060 
1 1 1 -36 16 8  o 132.9994 3.827865 2145.966       123.1711 2145.966       123.1711 0.000000       0.000000 132.9994 3.827865 ?        ?        ?              ?        
1 1 1 -36 16 9  o 72.86975 3.079820 644.2484       54.17123 707.8229       78.09953 585.3036       75.20197 76.33858 4.228653 69.40091 4.478801 6.937675       6.159640 
1 1 1 -36 16 10 o 180.8551 2.966195 3975.506       129.7774 4045.518       184.2220 3906.531       182.8515 182.4401 4.173679 179.2701 4.215882 3.169968       5.932390 
1 1 1 -36 16 11 o 92.83629 2.854507 1048.493       64.10688 1058.428       90.29464 1038.396       91.03149 93.28433 4.000838 92.38824 4.072608 0.8960876      5.709014 
1 1 1 -36 16 12 o 167.1523 2.880938 3402.139       116.4702 3478.258       167.2753 3330.510       162.2662 168.9610 4.092071 165.3438 4.056375 3.617203       5.761877 
1 1 1 -36 16 13 o 40.33530 4.632769 207.1298       43.15956 187.5264       66.16364 221.6498       56.94267 38.21075 7.424529 42.45986 5.543153 -4.249115      9.265537 
1 1 1 -36 16 14 o 22.66133 5.925712 50.41662       43.44232 71.07248       63.76416 32.52354       59.34684 24.77625 8.648676 20.54642 8.102879 4.229822       11.85142 
1 1 1 -36 16 15 o 41.62128 5.096349 234.2003       47.77098 152.8971       71.14023 300.9683       64.46822 33.92900 8.642512 49.31356 5.403522 -15.38456      10.19270 
1 1 1 -36 16 16 o 18.57954 5.267867 10.55566       40.79935 -61.00454      65.08582 56.87671       52.36485 15.01497 7.050226 22.14410 7.829175 -7.129136      10.53573 
1 1 1 -36 16 17 o 33.19552 5.854631 153.9689       47.66460 112.8618       72.08250 185.9089       63.53882 28.94695 9.174271 37.44409 7.275959 -8.497143      11.70926 
1 1 1 -36 16 18 o 37.71899 5.538047 187.4739       48.11488 236.1871       77.41737 156.8157       61.41689 41.57854 7.986300 33.85944 7.674559 7.719093       11.07609 
1 1 1 -36 16 19 o 31.48315 6.102926 149.0491       50.68834 90.21523       77.00462 194.0325       67.33317 25.76309 9.443617 37.20321 7.733107 -11.44011      12.20585 
1 1 1 -36 16 20 o 28.05619 11.59594 126.9482       128.0443 126.9482       128.0443 0.000000       0.000000 28.05619 11.59594 ?        ?        ?              ?        
1 1 1 -36 18 1  o 139.4744 4.045786 2361.956       136.5211 0.000000       0.000000 2361.956       136.5211 ?        ?        139.4744 4.045786 ?              ?        
1 1 1 -36 18 2  o 123.1431 2.779066 1840.134       82.74391 1932.186       118.0444 1751.218       116.0170 126.1766 3.866913 120.1096 3.992469 6.066994       5.558132 
1 1 1 -36 18 3  o 64.83882 3.436533 511.3127       53.87782 490.5701       76.08218 532.1786       76.30781 63.51310 4.951278 66.16455 4.766958 -2.651455      6.873066 
1 1 1 -36 18 4  o 63.03612 3.532460 481.2382       53.74389 528.4898       78.82233 440.1855       73.47028 65.91897 4.942386 60.15327 5.048357 5.765694       7.064919 
1 1 1 -36 18 5  o 90.30391 2.887711 990.2316       63.06980 988.8054       88.04979 991.7346       90.38436 90.24142 4.032925 90.36639 4.134129 -0.1249695     5.775422 
1 1 1 -36 18 6  o 147.4008 2.806673 2637.197       100.0634 2581.921       139.5378 2695.715       143.5706 145.8135 3.955410 148.9881 3.983011 -3.174591      5.613346 
1 1 1 -36 18 7  o 123.0816 2.770877 1840.465       82.50488 1824.799       117.0605 1855.928       116.3023 122.5572 3.947926 123.6060 3.889076 -1.048759      5.541753 
1 1 1 -36 18 9  o 72.99596 3.198853 650.1346       56.43425 624.0801       80.45392 675.3714       79.18146 71.53938 4.648360 74.45254 4.395838 -2.913162      6.397706 
1 1 1 -36 18 10 o 47.13009 4.296971 272.5767       48.69891 277.5797       73.28352 268.6202       65.16962 47.47805 6.379861 46.78213 5.757883 0.6959190      8.593943 
1 1 1 -36 18 11 o 171.6081 4.220165 3595.527       175.2143 3595.527       175.2143 0.000000       0.000000 171.6081 4.220165 ?        ?        ?              ?        
1 1 1 -36 18 12 o 16.59758 5.217855 -18.48985      41.94163 -45.90164      67.87189 -1.555620      53.34625 16.33567 7.506329 16.85949 7.249763 -0.5238209     10.43571 
1 1 1 -36 18 13 o 53.17521 4.185631 345.6762       53.36734 417.3734       80.64655 289.8199       71.18206 58.04885 5.742352 48.30157 6.091258 9.747284       8.371263 
1 1 1 -36 18 14 o 75.93532 3.253475 709.6646       59.63715 722.2690       87.63507 698.7925       81.39008 76.52219 4.733564 75.34846 4.464726 1.173729       6.506950 
1 1 1 -36 18 15 o 115.2619 4.051564 1635.546       112.9824 0.000000       0.000000 1635.546       112.9824 ?        ?        115.2619 4.051564 ?              ?        
1 1 1 -36 18 16 o 53.93932 4.328535 369.6131       56.10855 368.8943       84.19480 370.1874       75.25465 53.73915 6.475781 54.13949 5.745355 -0.4003448     8.657069 
1 1 1 -36 18 17 f 17.97342 5.757037 -26.10890      53.46501 -8.857815      80.99577 -39.43005      71.17461 19.36445 8.610304 16.58239 7.644380 2.782064       11.51407 
1 1 1 -36 18 18 o 59.48042 4.256207 467.5347       60.31698 424.2454       90.43503 502.2219       80.95269 56.50904 6.614796 62.45181 5.357769 -5.942772      8.512415 
1 1 1 -36 18 19 o 70.79834 5.660462 681.2103       92.64548 892.6829       162.7183 579.7739       112.6954 77.37316 8.692480 64.22351 7.252870 13.14965       11.32092 
1 1 1 -36 20 1  o 131.0695 2.820327 2088.601       89.35652 2034.588       123.2934 2148.362       129.6874 129.2962 3.941410 132.8428 4.035128 -3.546631      5.640653 
1 1 1 -36 20 2  o 103.7931 2.834288 1309.403       71.11706 1382.672       102.5243 1241.453       98.73222 106.5931 3.975536 100.9931 4.040777 5.599945       5.668577 
1 1 1 -36 20 3  o 38.53504 5.425562 187.7406       48.59564 211.7524       73.24770 168.8623       64.94770 40.75394 7.711288 36.31614 7.634326 4.437801       10.85112 
1 1 1 -36 20 4  o 45.70966 4.714656 267.2110       49.36947 216.4191       73.75896 308.4351       66.44965 41.21099 7.680315 50.20832 5.470345 -8.997330      9.429312 
1 1 1 -36 20 5  f 94.24409 2.938749 1082.435       66.85971 992.3626       93.87514 1175.160       95.24761 90.24026 4.299797 98.24791 4.007084 -8.007645      5.877497 
1 1 1 -36 20 6  o 55.28398 3.833258 378.1229       50.73680 334.7560       74.25965 416.0909       69.48358 52.22080 5.877696 58.34716 4.922210 -6.126366      7.666516 
1 1 1 -36 20 7  f 137.0468 2.850894 2261.235       93.94631 2589.409       142.2780 2007.543       125.0948 145.7545 4.034722 128.3390 4.028822 17.41545       5.701789 
1 1 1 -36 20 8  o 80.82391 5.533018 832.9620       103.3793 884.8304       131.0570 747.5313       168.1962 84.63708 6.400256 77.01073 9.027395 7.626343       11.06604 
1 1 1 -36 20 9  f 123.1097 2.860515 1850.818       85.17977 1901.564       120.7092 1800.484       120.2171 124.8042 3.997687 121.4153 4.092516 3.388916       5.721031 
1 1 1 -36 20 10 o 86.29977 3.089953 913.1208       64.38313 845.0117       90.92643 981.6059       91.17709 83.03017 4.526390 89.56939 4.207497 -6.539223      6.179905 
1 1 1 -36 20 11 o 19.18573 5.730486 9.401919       45.38062 -1.251207      70.56348 16.91579       59.26162 19.25665 8.309271 19.11481 7.893663 0.1418400      11.46097 
1 1 1 -36 20 12 o 59.73494 3.936427 444.4658       56.66146 401.9220       80.44846 486.3454       79.81808 56.80791 5.853378 62.66198 5.264958 -5.854073      7.872853 
1 1 1 -36 20 13 o 44.55085 5.253143 253.9161       54.51724 323.7910       81.58939 197.5540       73.27682 50.59684 6.665120 38.50487 8.121467 12.09196       10.50629 
1 1 1 -36 20 14 o 78.20511 3.448001 760.0224       64.87751 775.0425       97.36205 748.0267       87.00959 78.79096 5.107532 77.61926 4.633353 1.171707       6.896001 
1 1 1 -36 20 15 o 32.90886 6.481942 153.1568       53.61860 140.8603       79.63019 163.3564       72.52339 31.59943 9.582428 34.21830 8.731514 -2.618874      12.96388 
1 1 1 -36 20 16 o 19.55254 6.120522 -2.790142      57.10987 -0.2401714     83.92902 -4.988881      77.93480 20.00035 8.834949 19.10472 8.472713 0.8956242      12.24104 
1 1 1 -36 20 17 o 39.57710 7.009051 242.0886       66.81976 252.8354       98.41924 232.8990       91.00990 40.22244 10.12176 38.93176 9.698306 1.290688       14.01810 
1 1 1 -36 20 18 o 29.35982 7.332253 147.8527       65.50001 170.5949       92.78325 125.2591       92.47949 31.30121 10.44534 27.41843 10.29284 3.882780       14.66451 
1 1 1 -36 22 1  o 28.80365 6.400104 102.0934       49.01628 124.9437       77.70541 86.99236       63.16950 31.10173 9.473597 26.50557 8.607921 4.596157       12.80021 
1 1 1 -36 22 2  o 101.8424 4.088863 1267.337       100.7473 0.000000       0.000000 1267.337       100.7473 ?        ?        101.8424 4.088863 ?              ?        
1 1 1 -36 22 3  o 90.77271 3.088047 1006.227       67.68515 1037.815       99.43730 978.9565       92.39293 92.07455 4.463827 89.47085 4.268299 2.603706       6.176094 
1 1 1 -36 22 4  o 53.20413 4.257438 355.1444       53.91707 308.7740       80.12261 393.5210       72.89002 49.85822 6.642262 56.55004 5.327615 -6.691818      8.514876 
1 1 1 -36 22 5  f 79.47978 3.321484 776.6909       63.69607 724.3929       91.11892 826.6695       89.07552 76.80797 4.903430 82.15159 4.481672 -5.343620      6.642967 
1 1 1 -36 22 6  o 46.87466 4.689764 269.7466       52.82182 312.9070       80.18631 236.6605       70.20706 50.14666 6.609307 43.60265 6.655268 6.544003       9.379527 
1 1 1 -36 22 7  o 80.13193 3.353868 789.0236       64.93521 787.7034       94.22473 790.2178       89.61323 80.03551 4.866086 80.22835 4.616810 -0.1928329     6.707736 
1 1 1 -36 22 8  o 16.74105 5.400924 -41.70906      47.91957 -19.58999      73.97364 -57.70235      62.90170 18.55941 8.241583 14.92269 6.982565 3.636713       10.80185 
1 1 1 -36 22 9  f 49.48380 4.771844 309.0305       56.76697 342.8354       79.56381 273.9793       81.01714 52.37643 6.278810 46.59117 7.187387 5.785267       9.543689 
1 1 1 -36 22 10 o 103.6031 3.083342 1319.001       77.19102 1410.672       111.9051 1235.792       106.6160 107.0465 4.320910 100.1597 4.399741 6.886726       6.166684 
1 1 1 -36 22 11 o 46.35567 5.528851 285.0697       58.64037 381.8519       84.19509 193.8933       81.72031 55.00391 6.326899 37.70742 9.068798 17.29649       11.05770 
1 1 1 -36 22 12 o 34.54158 6.449088 159.2602       54.04744 201.0678       86.02745 131.9977       69.46928 38.02795 9.403250 31.05521 8.828468 6.972746       12.89818 
1 1 1 -36 22 13 o 24.55960 6.443388 70.01643       52.84707 29.40057       82.82569 97.90543       68.63313 22.07299 9.241104 27.04621 8.981703 -4.973219      12.88678 
1 1 1 -36 22 14 o 21.29546 6.312610 15.65900       58.16476 70.94386       81.15723 -42.72861      83.40354 24.70637 9.552285 17.88456 8.255303 6.821802       12.62522 
1 1 1 -36 22 15 o 36.96080 6.982355 207.4922       63.69929 185.7254       87.26321 232.3206       93.19820 34.83548 9.891825 39.08611 9.857227 -4.250633      13.96471 
1 1 1 -36 22 16 o 26.34188 6.920875 95.11263       63.47569 28.63636       89.00584 163.9162       90.55044 21.18657 9.235957 31.49720 10.30976 -10.31062      13.84175 
1 1 1 -36 24 1  o 103.9240 4.412673 1330.280       110.9482 1330.280       110.9482 0.000000       0.000000 103.9240 4.412673 ?        ?        ?              ?        
1 1 1 -36 24 2  o 21.49113 5.810179 8.172605       48.17391 101.3843       73.71021 -61.32808      63.64832 28.17252 9.305699 14.80973 6.959646 13.36280       11.62036 
1 1 1 -36 24 3  o 27.32710 5.810408 87.31441       51.94983 -31.91678      80.77103 171.4359       67.84441 18.67676 8.427543 35.97744 8.001243 -17.30068      11.62082 
1 1 1 -36 24 4  o 85.89389 3.311258 912.3981       68.39336 791.2948       95.90244 1037.736       97.56464 79.97910 4.956222 91.80867 4.392446 -11.82957      6.622516 
1 1 1 -36 24 5  o 109.0011 4.396076 1463.605       115.9306 1463.605       115.9306 0.000000       0.000000 109.0011 4.396076 ?        ?        ?              ?        
1 1 1 -36 24 6  o 54.88987 4.692141 392.0838       60.15599 299.6343       89.10416 469.5117       81.54446 48.39394 7.610352 61.38581 5.490654 -12.99187      9.384281 
1 1 1 -36 24 7  o 20.24562 6.124209 7.899077       52.38966 16.36802       82.62457 2.204885       67.75022 21.57937 9.142244 18.91187 8.151266 2.667501       12.24842 
1 1 1 -36 24 8  o 68.23418 3.788929 579.9308       62.38745 607.2537       92.30183 556.9490       84.65205 69.66036 5.476743 66.80799 5.237292 2.852371       7.577858 
1 1 1 -36 24 9  o 20.07290 6.066123 10.06129       52.45338 -5.419638      77.67970 23.03615       71.11485 19.50516 8.562158 20.64065 8.595396 -1.135492      12.13225 
1 1 1 -36 24 10 o 53.95709 4.623399 370.3495       59.85560 442.1325       88.67760 310.2760       81.12317 58.86384 6.226773 49.05034 6.835977 9.813496       9.246799 
1 1 1 -36 24 11 o 93.71178 3.367625 1099.851       76.29984 1055.492       105.6595 1148.189       110.2985 91.74145 4.760369 95.68212 4.764710 -3.940674      6.735249 
1 1 1 -36 24 12 o 71.14462 3.992840 649.6142       68.70743 637.3140       97.58936 661.7038       96.75002 70.41749 5.728220 71.87176 5.564043 -1.454269      7.985679 
1 1 1 -36 24 13 o 27.19135 6.908047 102.3329       60.76542 149.1626       84.97913 53.33472       86.92445 31.19967 9.968994 23.18303 9.565751 8.016640       13.81609 
1 1 1 -36 24 14 o 40.22043 6.496736 240.4812       67.56884 120.7675       89.60953 398.2492       102.8707 27.74401 10.18460 52.69686 8.068721 -24.95285      12.99347 
1 1 1 -36 26 4  o 27.64481 8.191397 63.42033       91.62679 92.68293       112.1134 4.561571       159.0035 28.44431 11.16264 26.84531 11.99131 1.598991       16.38279 
1 1 1 -36 26 5  o 37.36813 8.260660 219.3659       89.39161 277.4539       109.8161 105.2826       153.8983 43.75101 10.50688 30.98525 12.74988 12.76576       16.52132 
1 1 1 -36 26 6  o 46.00865 9.045957 334.2836       102.9459 341.3445       129.5567 322.1892       169.5609 47.83328 11.36342 44.18402 14.07800 3.649261       18.09191 
1 1 1 -36 26 7  o 39.93645 8.591316 261.5545       96.96081 325.5205       121.8198 150.9816       160.1651 46.74759 10.96120 33.12531 13.23234 13.62227       17.18263 
1 1 1 -36 26 8  o 28.13932 8.323925 74.71986       100.2285 136.7043       120.9650 -61.03510      179.0178 31.04884 11.74634 25.22979 11.79722 5.819050       16.64785 
1 1 1 -36 26 9  o 22.95510 7.618646 -63.42169      106.2755 4.770969       123.8368 -254.0155      207.0309 23.51018 10.53617 22.40002 11.00746 1.110159       15.23729 
1 1 1 -36 26 10 o 20.64924 7.094832 -183.8452      103.0541 -284.8305      129.5207 -9.613326      170.1273 15.95129 7.982150 25.34719 11.73166 -9.395903      14.18966 
1 1 1 -36 26 11 o 40.68530 9.665023 337.2800       115.6537 361.4515       140.6673 286.8531       203.1762 45.04806 12.47804 36.32255 14.76310 8.725506       19.33005 
1 1 1 -36 26 12 o 25.15250 7.601101 30.77352       105.5242 184.2951       122.5140 -410.4700      207.7018 31.40973 11.83600 18.89528 9.540229 12.51445       15.20220 
1 1 1 -35 1  1  o 355.5881 4.634277 15285.98       398.0585 15890.35       583.1396 14758.66       544.7034 362.1466 6.655578 349.0296 6.450532 13.11700       9.268554 
1 1 1 -35 1  2  o 540.0446 6.779754 35380.77       885.6567 34954.41       1238.151 35827.49       1267.375 536.7230 9.535011 543.3662 9.640738 -6.643188      13.55951 
1 1 1 -35 1  3  o 186.4731 2.860860 4208.619       129.0659 4204.514       182.1215 4212.761       182.9346 186.3819 4.038826 186.5642 4.052894 -0.1823425     5.721719 
1 1 1 -35 1  4  o 291.3814 3.922366 10281.57       276.5104 10290.68       391.4820 10272.50       390.6089 291.5099 5.550807 291.2528 5.543317 0.2571411      7.844732 
1 1 1 -35 1  5  o 211.1737 3.545958 5467.690       158.9039 5543.525       185.3759 5257.585       308.5596 214.0186 3.580135 208.3287 6.121919 5.689880       7.091915 
1 1 1 -35 1  6  o 223.3988 3.694666 5987.483       171.2915 5934.740       196.4612 6154.670       349.7802 221.4322 3.667192 225.3654 6.415133 -3.933212      7.389332 
1 1 1 -35 1  7  o 292.9120 4.569724 10158.51       272.4691 9960.848       309.0509 10848.30       577.3411 286.8171 4.453717 299.0069 7.980846 -12.18976      9.139447 
1 1 1 -35 1  8  o 329.2567 5.000112 13132.01       398.3058 13132.01       398.3058 0.000000       0.000000 329.2567 5.000112 ?        ?        ?              ?        
1 1 1 -35 1  9  f 159.7872 3.178905 3112.550       116.5971 3157.503       144.2894 3027.960       197.9326 161.4929 3.692996 158.0815 5.175281 3.411407       6.357810 
1 1 1 -35 1  10 o 235.5970 3.312440 6699.416       188.3628 6370.434       255.8637 7088.683       278.3216 229.3117 4.611903 241.8823 4.755986 -12.57059      6.624881 
1 1 1 -35 1  11 o 40.75719 2.987727 201.2178       29.46029 202.3448       41.84186 200.1097       41.48669 40.87029 4.231565 40.64410 4.218995 0.2261848      5.975455 
1 1 1 -35 1  12 o 86.84265 2.309851 905.4967       48.19357 1071.252       71.52168 767.6439       65.22475 94.06415 3.142760 79.62116 3.385958 14.44299       4.619703 
1 1 1 -35 1  13 o 125.4328 2.407512 1905.359       73.05902 1921.038       103.6383 1889.869       103.0067 125.9459 3.401213 124.9197 3.408257 1.026222       4.815025 
1 1 1 -35 1  14 o 212.3239 3.099620 5464.446       159.1958 5546.941       227.7954 5385.694       222.5692 213.8877 4.402069 210.7601 4.364901 3.127625       6.199239 
1 1 1 -35 1  15 o 61.44123 2.473380 457.4691       36.76173 447.7677       51.57109 467.4915       52.41711 60.77880 3.507130 62.10366 3.488619 -1.324856      4.946759 
1 1 1 -35 1  16 o 142.2685 2.472458 2449.440       84.99723 2582.339       123.9514 2331.479       116.7776 145.9007 3.511491 138.6363 3.481611 7.264420       4.944916 
1 1 1 -35 1  17 o 71.92749 2.333503 627.8124       40.59471 607.1226       56.72202 649.5368       58.12279 70.71207 3.315552 73.14292 3.284519 -2.430855      4.667006 
1 1 1 -35 1  18 o 103.5808 2.199109 1302.293       55.06417 1232.361       76.44450 1377.706       79.38361 100.6901 3.138030 106.4715 3.081735 -5.781342      4.398219 
1 1 1 -35 3  1  o 281.0457 4.418077 9455.286       256.3440 9352.426       293.1584 9789.411       528.3625 277.9480 4.359498 284.1433 7.685855 -6.195374      8.836153 
1 1 1 -35 3  2  o 490.3903 7.105435 29569.14       744.1173 29999.13       871.4384 28411.66       1429.773 497.4993 7.240056 483.2813 12.22826 14.21802       14.21087 
1 1 1 -35 3  3  o 265.0040 4.428415 8661.516       274.9953 9208.022       354.4045 7834.623       435.9392 275.7530 5.312227 254.2550 7.086866 21.49805       8.856830 
1 1 1 -35 3  4  o 358.4022 5.337533 15867.66       412.0069 16238.65       485.9854 14919.69       776.8527 366.1752 5.485699 350.6292 9.157738 15.54599       10.67507 
1 1 1 -35 3  5  o 470.3143 6.850410 27119.84       684.6668 27409.65       798.8260 26317.67       1329.026 475.5360 6.943309 465.0925 11.81114 10.44354       13.70082 
1 1 1 -35 3  6  o 241.0738 3.892707 7072.835       197.6177 7107.069       229.0746 6973.230       390.7401 242.3023 3.907661 239.8453 6.733710 2.457031       7.785414 
1 1 1 -35 3  7  o 335.0091 5.040680 13820.66       361.6745 14071.12       424.6313 13158.83       690.2604 340.8286 5.149601 329.1896 8.666916 11.63907       10.08136 
1 1 1 -35 3  8  f 189.8176 3.330038 4361.338       152.9283 4361.338       152.9283 0.000000       0.000000 189.8176 3.330038 ?        ?        ?              ?        
1 1 1 -35 3  9  f 338.2223 5.113392 13982.49       365.5548 14087.89       424.9157 13682.33       717.0710 340.9709 5.150900 335.4737 8.834894 5.497162       10.22678 
1 1 1 -35 3  10 o 476.2491 7.014067 27433.24       692.4818 27247.91       794.5054 28019.04       1412.541 473.7840 6.931292 478.7144 12.19614 -4.930389      14.02813 
1 1 1 -35 3  11 o 143.1114 2.899313 2405.205       84.87116 2342.370       96.31758 2623.438       179.5003 139.1072 2.861894 147.1156 5.043177 -8.008377      5.798626 
1 1 1 -35 3  12 o 159.1479 3.057805 3098.331       101.9569 3128.337       118.0296 3010.113       202.3785 160.7473 3.034904 157.5485 5.309429 3.198807       6.115610 
1 1 1 -35 3  13 o 64.11290 3.104044 496.9343       40.20347 495.8932       45.64612 500.5354       84.89713 63.99796 2.948054 64.22783 5.463456 -0.2298660     6.208089 
1 1 1 -35 3  14 o 139.6603 2.503349 2352.791       84.39861 2542.296       124.2909 2190.647       114.9687 144.8553 3.546521 134.4652 3.534007 10.39009       5.006698 
1 1 1 -35 3  15 o 117.8987 2.375100 1679.960       67.64168 1773.944       99.08913 1597.948       92.56348 120.9759 3.385517 114.8216 3.332067 6.154266       4.750199 
1 1 1 -35 3  16 o 55.91254 2.584869 379.4254       34.90762 408.9127       49.80697 350.9578       48.93814 58.05312 3.546192 53.77197 3.761744 4.281147       5.169738 
1 1 1 -35 3  17 o 12.56660 3.925174 -10.13318      23.42111 -10.60998      32.79788 -9.637037      33.45685 12.45331 5.510932 12.67989 5.590848 -0.2265854     7.850348 
1 1 1 -35 3  18 o 18.15874 3.729676 24.90370       21.90636 82.57737       33.32169 -18.99685      29.07189 25.44597 5.567367 10.87150 4.964509 14.57447       7.459352 
1 1 1 -35 5  1  o 129.7400 3.134267 2131.346       93.36805 2427.694       120.2963 1682.332       148.0746 141.6243 3.510849 117.8556 5.193117 23.76865       6.268534 
1 1 1 -35 5  2  o 269.0926 4.283380 8645.766       237.5020 8532.403       271.2295 9018.441       491.7766 265.4779 4.222856 272.7073 7.453647 -7.229370      8.566759 
1 1 1 -35 5  3  f 298.5817 4.658958 10649.17       286.0302 10512.54       326.3643 11101.73       593.9672 294.6580 4.578067 302.5055 8.115718 -7.847443      9.317917 
1 1 1 -35 5  4  o 132.1074 3.042937 2113.333       91.21088 2114.059       111.1529 2111.838       159.5941 132.1612 3.476276 132.0535 4.995334 0.1077118      6.085873 
1 1 1 -35 5  5  o 296.4510 4.581516 10747.60       287.6478 10851.72       334.8654 10454.49       561.8301 299.3594 4.623545 293.5426 7.911004 5.816833       9.163032 
1 1 1 -35 5  6  o 275.1599 4.331640 9160.265       249.3168 9144.231       287.5581 9208.805       500.3505 274.8081 4.325076 275.5117 7.506405 -0.7035522     8.663280 
1 1 1 -35 5  7  o 69.49299 2.828170 574.4302       40.00369 565.9376       45.41941 603.8073       84.47451 68.38428 2.745256 70.60170 4.945477 -2.217422      5.656340 
1 1 1 -35 5  8  o 262.6642 4.444464 8271.519       262.6371 8113.442       316.1680 8623.438       471.7427 258.7753 5.050016 266.5532 7.315079 -7.777863      8.888928 
1 1 1 -35 5  9  o 156.9375 3.013345 2923.822       97.14061 2872.615       110.6633 3095.776       202.7897 154.0530 2.969143 159.8219 5.244540 -5.768845      6.026691 
1 1 1 -35 5  10 o 101.1037 2.647231 1237.194       64.75317 1237.194       64.75317 0.000000       0.000000 101.1037 2.647231 ?        ?        ?              ?        
1 1 1 -35 5  11 o 34.80543 4.822200 154.4781       31.56926 157.4138       35.13509 142.1773       71.91974 36.04871 4.028553 33.56215 8.762718 2.486553       9.644401 
1 1 1 -35 5  12 o 73.63136 3.070291 640.3777       45.09025 628.0928       50.72792 686.6151       98.41378 72.02795 2.911009 75.23477 5.406734 -3.206818      6.140582 
1 1 1 -35 5  13 o 376.2138 5.644302 17378.18       449.0574 17527.95       522.3834 16954.19       878.9297 379.9844 5.682261 372.4431 9.754205 7.541290       11.28860 
1 1 1 -35 5  14 o 197.8346 3.488564 4624.597       140.1080 4523.137       158.6595 4983.938       298.5883 193.2130 3.394124 202.4563 6.095920 -9.243317      6.977128 
1 1 1 -35 5  15 o 122.8609 2.892887 1909.612       74.23215 1994.047       86.63334 1676.383       143.9839 128.2934 2.791120 117.4285 5.068020 10.86494       5.785774 
1 1 1 -35 5  16 o 41.14011 3.228072 207.4204       31.88658 184.0518       46.04679 228.9510       44.19882 38.87992 4.895214 43.40030 4.209356 -4.520378      6.456144 
1 1 1 -35 5  17 o 52.00716 2.686719 328.4006       33.76374 351.6563       48.92620 307.2556       46.65314 53.76440 3.761356 50.24992 3.837454 3.514473       5.373439 
1 1 1 -35 5  18 o 118.6119 3.340993 1712.443       95.87518 1712.443       95.87518 0.000000       0.000000 118.6119 3.340993 ?        ?        ?              ?        
1 1 1 -35 5  19 o 52.99502 3.440022 342.6815       44.10610 342.6815       44.10610 0.000000       0.000000 52.99502 3.440022 ?        ?        ?              ?        
1 1 1 -35 7  1  o 271.7994 4.285797 9115.059       249.2218 9307.157       292.6449 8607.972       475.4669 277.2353 4.363050 266.3636 7.378078 10.87173       8.571594 
1 1 1 -35 7  2  o 87.98604 3.251287 984.6049       61.93879 1052.890       74.28133 828.7924       112.2068 93.26778 3.291893 82.70430 5.607754 10.56348       6.502574 
1 1 1 -35 7  4  o 309.6996 4.130721 11616.40       309.3753 11384.82       429.9742 11864.98       445.4833 306.5054 5.798316 312.8938 5.884807 -6.388336      8.261441 
1 1 1 -35 7  5  o 301.8851 4.043319 11028.07       294.9980 11386.12       429.3977 10708.03       405.9678 306.5118 5.790422 297.2584 5.644886 9.253418       8.086638 
1 1 1 -35 7  6  o 260.1103 3.593223 8196.487       226.1130 8237.921       321.5488 8155.958       318.0246 260.7594 5.096883 259.4613 5.066241 1.298096       7.186446 
1 1 1 -35 7  7  o 209.5492 3.080238 5316.563       156.1286 5399.209       223.6019 5237.934       218.0992 211.1366 4.377335 207.9618 4.334791 3.174789       6.160477 
1 1 1 -35 7  8  o 164.4502 2.698544 3272.077       107.3208 3175.728       149.2156 3375.330       154.4697 161.9446 3.808425 166.9557 3.824192 -5.011063      5.397087 
1 1 1 -35 7  9  o 443.7664 5.657595 23936.57       607.4025 24035.87       862.8396 23839.01       855.2051 444.6737 8.020221 442.8592 7.981827 1.814514       11.31519 
1 1 1 -35 7  10 o 241.1913 3.393924 7050.125       198.0403 7004.097       278.7835 7097.013       281.3771 240.3973 4.793307 241.9854 4.806150 -1.588074      6.787848 
1 1 1 -35 7  11 o 248.8794 4.063303 7430.579       208.1672 7355.230       237.8090 7677.573       430.5584 246.4039 3.989132 251.3548 7.080153 -4.950882      8.126606 
1 1 1 -35 7  12 o 235.6408 3.922935 6827.471       194.3432 6921.660       225.6386 6556.812       382.4958 239.0179 3.901942 232.2638 6.806799 6.754089       7.845869 
1 1 1 -35 7  13 o 57.71214 3.973732 422.6095       42.27297 433.2021       46.89501 376.6805       97.64912 59.80348 3.241140 55.62080 7.256527 4.182678       7.947464 
1 1 1 -35 7  14 o 51.63607 4.627060 359.2192       39.61016 373.7803       43.44282 287.4480       96.44873 55.53842 3.233122 47.73372 8.670967 7.804707       9.254121 
1 1 1 -35 7  15 o 124.4871 2.982081 1898.962       75.40852 1913.347       86.03443 1851.279       156.6390 125.6510 2.830114 123.3232 5.249923 2.327866       5.964163 
1 1 1 -35 7  16 f 67.99907 3.325317 593.8389       43.79381 616.4552       49.50488 512.4331       93.92136 71.29076 2.870202 64.70738 5.999406 6.583382       6.650634 
1 1 1 -35 7  17 o 60.88729 3.558090 487.7118       41.23536 512.1230       46.53367 398.4533       88.98116 64.93318 2.962090 56.84140 6.470397 8.091778       7.116180 
1 1 1 -35 7  18 o 30.21369 3.965339 117.4173       27.76933 97.28128       41.96563 133.1020       37.03790 27.47655 6.427325 32.95083 4.645984 -5.474281      7.930679 
1 1 1 -35 7  19 f 102.6015 3.341621 1285.057       82.94936 1285.057       82.94936 0.000000       0.000000 102.6015 3.341621 ?        ?        ?              ?        
1 1 1 -35 7  20 o 20.04484 6.661583 49.09588       37.75217 49.09588       37.75217 0.000000       0.000000 20.04484 6.661583 ?        ?        ?              ?        
1 1 1 -35 9  1  o 176.2735 4.021825 3762.698       171.5191 0.000000       0.000000 3762.698       171.5191 ?        ?        176.2735 4.021825 ?              ?        
1 1 1 -35 9  2  f 407.4329 5.250273 20106.89       516.6298 20859.50       758.0835 19454.25       705.9488 414.5105 7.559259 400.3553 7.288283 14.15515       10.50055 
1 1 1 -35 9  3  o 159.3145 2.709427 3072.019       104.4023 3117.715       149.8307 3028.892       145.5564 160.4646 3.859394 158.1644 3.803822 2.300186       5.418854 
1 1 1 -35 9  4  o 300.5893 4.043381 10948.29       293.9654 11131.47       421.9161 10775.46       409.8079 303.0279 5.754944 298.1507 5.681227 4.877197       8.086762 
1 1 1 -35 9  5  o 348.2573 6.460506 14711.79       544.3385 14711.79       544.3385 0.000000       0.000000 348.2573 6.460506 ?        ?        ?              ?        
1 1 1 -35 9  6  o 204.7297 3.064151 5076.881       151.7724 5081.288       214.8471 5072.492       214.4306 204.8182 4.335693 204.6412 4.331033 0.1770477      6.128302 
1 1 1 -35 9  7  o 212.7127 3.130427 5479.675       161.0670 5555.103       230.6936 5407.938       224.9801 214.1387 4.452849 211.2868 4.401185 2.851944       6.260854 
1 1 1 -35 9  8  o 307.1395 4.108221 11441.39       305.2721 11408.96       430.5244 11474.19       432.9255 306.7028 5.802000 307.5762 5.817792 -0.8734131     8.216441 
1 1 1 -35 9  9  o 290.0126 3.920432 10200.41       275.0734 10226.92       390.0811 10174.18       387.9528 290.3864 5.552342 289.6388 5.536303 0.7475891      7.840864 
1 1 1 -35 9  10 o 184.1721 2.887604 4109.331       128.6636 4130.580       182.6414 4088.397       181.2818 184.6444 4.088470 183.6999 4.078901 0.9445648      5.775207 
1 1 1 -35 9  11 o 53.54314 3.096272 348.8544       39.94516 319.0884       57.26358 377.0666       55.74886 51.30392 4.613448 55.78236 4.130825 -4.478439      6.192545 
1 1 1 -35 9  12 o 139.6332 2.588659 2359.299       87.39423 2267.713       121.0636 2458.963       126.2902 136.8074 3.657648 142.4591 3.664183 -5.651718      5.177318 
1 1 1 -35 9  13 o 157.4298 2.696723 3004.633       102.7042 2991.105       144.1682 3018.573       146.3477 157.0719 3.793750 157.7877 3.833632 -0.7158661     5.393447 
1 1 1 -35 9  14 o 208.3034 3.116854 5262.776       156.9468 5098.679       216.6071 5444.147       227.7225 204.8969 4.369534 211.7099 4.445928 -6.813065      6.233707 
1 1 1 -35 9  15 f 50.95897 3.850525 289.2249       43.51640 387.7454       84.04260 253.1349       50.86616 56.31122 6.168822 45.60671 4.609969 10.70451       7.701051 
1 1 1 -35 9  16 o 68.30647 3.503954 560.1575       45.17345 554.3145       50.00617 586.0797       105.3269 67.56413 3.059180 69.04882 6.304935 -1.484688      7.007909 
1 1 1 -35 9  17 o 72.82784 3.130930 641.6348       46.14051 635.9798       52.36394 661.2731       97.58247 72.32948 2.992366 73.32619 5.500604 -0.9967117     6.261861 
1 1 1 -35 9  18 o 60.99411 3.644639 439.3883       46.46791 421.4661       53.14608 497.5609       95.74928 58.73333 3.740110 63.25490 6.256609 -4.521576      7.289278 
1 1 1 -35 9  19 o 84.63385 3.178307 880.2327       59.75927 875.9297       71.52150 890.1844       108.7669 84.60650 3.494062 84.66121 5.310187 -0.5471039E-01 6.356615 
1 1 1 -35 9  20 o 30.75881 3.880467 109.0111       27.12706 201.5642       45.68169 58.59595       33.71530 40.26544 4.689293 21.25218 6.184062 19.01326       7.760934 
1 1 1 -35 11 1  o 18.69656 5.286663 16.90019       36.54142 37.12866       54.62206 0.5132018      49.16275 20.80681 7.888037 16.58631 7.040886 4.220501       10.57333 
1 1 1 -35 11 2  o 216.0517 3.206305 5653.788       167.5697 5735.876       239.6146 5575.214       234.4291 217.5849 4.551790 214.5185 4.516943 3.066391       6.412610 
1 1 1 -35 11 3  o 19.21698 4.932647 6.216210       35.76534 80.53956       53.00917 -55.88899      48.45654 25.70481 7.823525 12.72916 6.009699 12.97564       9.865294 
1 1 1 -35 11 4  o 234.0392 3.366710 6636.597       190.6193 6691.182       271.5141 6583.543       267.6797 234.9868 4.775805 233.0915 4.746644 1.895309       6.733420 
1 1 1 -35 11 5  o 367.0873 4.793306 16351.20       425.5659 16084.16       592.7732 16635.24       611.3384 364.0048 6.730992 370.1698 6.826190 -6.165009      9.586612 
1 1 1 -35 11 6  o 239.9933 3.426890 6978.768       198.9504 6875.381       278.6282 7086.310       284.1704 238.1814 4.835206 241.8053 4.857477 -3.623871      6.853780 
1 1 1 -35 11 7  o 139.4920 2.603500 2355.997       87.85452 2314.086       123.2814 2399.243       125.2317 138.2316 3.686275 140.7524 3.677529 -2.520828      5.206999 
1 1 1 -35 11 8  o 238.6231 3.406940 6890.383       196.4772 6657.952       270.3021 7150.760       286.0911 234.3689 4.767022 242.8774 4.868722 -8.508484      6.813879 
1 1 1 -35 11 9  f 55.70767 3.123502 377.0418       41.98351 348.9753       59.83496 404.2592       58.92285 53.65594 4.609300 57.75940 4.216565 -4.103462      6.247004 
1 1 1 -35 11 10 o 74.37336 2.770532 671.0521       49.78812 639.9656       70.98510 701.1530       69.85068 72.67214 4.037355 76.07458 3.795148 -3.402435      5.541064 
1 1 1 -35 11 11 o 132.0760 2.610786 2113.104       83.41158 2063.983       116.8739 2164.098       119.0807 130.5116 3.701401 133.6405 3.682993 -3.128937      5.221571 
1 1 1 -35 11 12 o 243.5433 3.461766 7201.369       203.9633 7149.002       286.6158 7255.096       290.3152 242.6489 4.882245 244.4377 4.909071 -1.788849      6.923532 
1 1 1 -35 11 13 o 91.96864 2.566360 1026.173       57.08955 1040.728       80.25555 1011.263       81.22685 92.63226 3.581051 91.30501 3.677077 1.327255       5.132721 
1 1 1 -35 11 14 o 100.2655 3.596411 1220.401       87.24151 0.000000       0.000000 1220.401       87.24151 ?        ?        100.2655 3.596411 ?              ?        
1 1 1 -35 11 15 f 125.0826 2.537199 1902.068       76.76279 1908.922       107.5048 1894.938       109.6448 125.3197 3.545734 124.8455 3.630054 0.4742050      5.074398 
1 1 1 -35 11 16 o 77.59737 2.659626 733.0812       49.89602 749.1522       72.19846 718.3876       69.03504 78.40409 3.806159 76.79065 3.715857 1.613441       5.319252 
1 1 1 -35 11 17 o 18.57957 5.228428 24.27978       35.07663 24.51288       52.57639 24.09280       47.08789 18.96117 7.578864 18.19798 7.204628 0.7631912      10.45686 
1 1 1 -35 11 18 o 25.32934 5.107669 85.52582       33.77991 55.73614       53.40039 105.3984       43.61531 22.18325 7.899426 28.47543 6.477051 -6.292181      10.21534 
1 1 1 -35 11 19 o 24.57150 6.050108 51.46653       34.39741 37.79225       37.41087 126.2344       87.47884 18.43384 6.606768 30.70916 10.13735 -12.27532      12.10022 
1 1 1 -35 11 20 o 41.87870 4.439030 196.5426       39.26142 170.5760       44.51707 287.4480       83.29387 36.86903 4.990713 46.88836 7.342528 -10.01933      8.878059 
1 1 1 -35 13 1  o 262.7011 3.682109 8356.778       233.8091 8114.866       322.3371 8625.382       339.6542 258.7013 5.150024 266.7010 5.263929 -7.999634      7.364218 
1 1 1 -35 13 2  o 248.7507 3.534394 7501.092       212.7006 7537.227       302.2076 7465.621       299.4200 249.3431 5.009631 248.1582 4.987120 1.184830       7.068789 
1 1 1 -35 13 3  o 159.6386 2.777968 3086.794       107.2888 3105.427       152.4529 3068.510       151.0160 160.1155 3.935498 159.1617 3.921769 0.9538269      5.555935 
1 1 1 -35 13 4  f 308.1740 4.153815 11521.06       309.6630 11646.88       442.2713 11400.07       433.7133 309.8201 5.900338 306.5280 5.848309 3.292114       8.307630 
1 1 1 -35 13 5  f 229.6200 4.741485 6390.932       263.4065 6390.932       263.4065 0.000000       0.000000 229.6200 4.741485 ?        ?        ?              ?        
1 1 1 -35 13 6  o 140.8087 3.850825 2401.804       131.1854 2401.804       131.1854 0.000000       0.000000 140.8087 3.850825 ?        ?        ?              ?        
1 1 1 -35 13 7  o 112.8148 2.618447 1541.771       71.45541 1535.198       101.8971 1548.131       100.2300 112.5767 3.741201 113.0530 3.664488 -0.4763184     5.236894 
1 1 1 -35 13 8  o 262.3616 3.670062 8348.027       232.9146 8467.234       333.3005 8234.255       325.6160 264.1881 5.214592 260.5351 5.165796 3.653076       7.340124 
1 1 1 -35 13 9  o 181.6246 2.940281 3998.601       129.2009 4000.663       182.8486 3996.545       182.5869 181.6712 4.160096 181.5780 4.156273 0.9317017E-01  5.880561 
1 1 1 -35 13 10 o 121.5180 2.657208 1789.613       78.10682 1780.929       109.3030 1798.674       111.6540 121.2188 3.727004 121.8173 3.788464 -0.5984955     5.314416 
1 1 1 -35 13 11 o 245.1606 3.509496 7297.220       208.0647 7153.146       288.9732 7452.314       299.8223 242.6581 4.922213 247.6631 5.003805 -5.004944      7.018992 
1 1 1 -35 13 12 o 52.30959 3.468402 332.7029       43.88530 342.4082       62.40179 323.2054       61.73005 53.06678 4.860401 51.55241 4.949318 1.514370       6.936803 
1 1 1 -35 13 13 o 89.66763 2.690143 974.9368       58.30707 934.8931       80.42856 1019.295       84.65065 87.73182 3.789229 91.60345 3.819585 -3.871628      5.380287 
1 1 1 -35 13 14 f 111.0170 2.600731 1498.860       69.83774 1491.241       99.68130 1506.206       97.87444 110.7332 3.720778 111.3009 3.634697 -0.5677643     5.201462 
1 1 1 -35 13 15 o 38.60506 4.192220 183.9861       39.03532 175.4388       56.58497 191.7472       53.91997 37.71544 6.201256 39.49468 5.642982 -1.779243      8.384439 
1 1 1 -35 13 16 o 62.66998 3.077905 479.5908       46.49714 495.7980       69.22284 466.2667       62.76432 63.60635 4.498281 61.73360 4.202318 1.872749       6.155811 
1 1 1 -35 13 17 o 92.46529 3.727444 1046.048       83.38580 0.000000       0.000000 1046.048       83.38580 ?        ?        92.46529 3.727444 ?              ?        
1 1 1 -35 13 18 o 57.73964 3.511130 426.0054       47.46924 322.8987       69.67839 515.3043       64.84517 50.80164 5.669152 64.67764 4.144013 -13.87600      7.022260 
1 1 1 -35 13 19 o 50.66312 3.893200 330.1917       46.30405 289.6769       71.92764 358.8651       60.51011 47.66365 6.237437 53.66260 4.660729 -5.998951      7.786400 
1 1 1 -35 13 20 o 22.88150 6.613835 43.08432       52.08889 73.00417       101.9982 32.52826       60.58482 25.89774 10.48357 19.86527 8.066354 6.032467       13.22767 
1 1 1 -35 15 1  o 152.0765 2.829657 2802.868       104.0826 2816.695       145.6950 2788.458       148.7423 152.4630 3.949826 151.6900 4.052987 0.7729492      5.659314 
1 1 1 -35 15 2  o 61.19347 3.434591 452.4569       50.73933 495.3477       74.14915 414.6881       69.58101 63.91264 4.795314 58.47429 4.918396 5.438358       6.869182 
1 1 1 -35 15 3  o 118.8434 2.733207 1711.005       78.58099 1691.363       110.3125 1731.240       111.9665 118.1514 3.859080 119.5355 3.871588 -1.384087      5.466414 
1 1 1 -35 15 4  o 172.4382 2.923129 3603.338       121.9326 3588.275       170.8236 3618.985       174.1006 172.0731 4.103292 172.8032 4.164340 -0.7300568     5.846258 
1 1 1 -35 15 5  o 150.0972 3.964155 2730.095       143.9546 0.000000       0.000000 2730.095       143.9546 ?        ?        150.0972 3.964155 ?              ?        
1 1 1 -35 15 6  o 123.5900 2.715087 1850.970       81.18192 1834.872       114.7313 1867.111       114.8860 123.0511 3.853844 124.1290 3.825529 -1.077911      5.430174 
1 1 1 -35 15 7  o 116.8059 2.730265 1653.635       77.15120 1678.342       109.2519 1629.058       108.9652 117.6776 3.837363 115.9342 3.884848 1.743370       5.460531 
1 1 1 -35 15 8  o 87.92255 2.909065 937.5193       61.85737 940.4839       86.37384 934.3979       88.62880 88.06840 4.053777 87.77670 4.173432 0.2916946      5.818130 
1 1 1 -35 15 9  o 193.0461 3.040057 4522.593       141.9825 4523.351       200.1240 4521.826       201.4700 193.0645 4.284444 193.0276 4.314085 0.3680420E-01  6.080114 
1 1 1 -35 15 10 o 80.83194 2.913676 794.0446       56.91297 818.9644       79.43305 767.7568       81.58425 82.14496 3.996852 79.51891 4.240662 2.626045       5.827352 
1 1 1 -35 15 11 o 145.8875 2.736301 2583.922       96.56289 2651.971       137.3920 2517.495       135.7440 147.7892 3.842524 143.9858 3.896715 3.803391       5.472603 
1 1 1 -35 15 12 o 160.0295 2.829041 3113.699       109.5191 3089.244       153.4817 3139.068       156.3242 159.3937 3.980001 160.6653 4.021627 -1.271561      5.658082 
1 1 1 -35 15 13 o 32.47314 5.590070 134.3996       43.10061 147.7415       66.59167 124.7811       56.54106 33.81140 8.220333 31.13490 7.577709 2.676502       11.18014 
1 1 1 -35 15 14 f 54.81204 3.715930 373.2350       48.66569 324.5470       71.26041 415.7896       66.62094 51.34503 5.736508 58.27906 4.724936 -6.934032      7.431860 
1 1 1 -35 15 15 o 87.07571 2.850659 924.6943       59.97678 983.9420       87.37920 871.9130       82.47320 89.70753 4.026029 84.44390 4.036847 5.263626       5.701319 
1 1 1 -35 15 16 o 75.10957 2.948675 691.7799       53.47923 700.1301       78.29540 684.4769       73.22141 75.50402 4.286116 74.71513 4.050673 0.7888947      5.897350 
1 1 1 -35 15 17 o 97.97715 2.806691 1179.026       66.43594 1209.125       97.02904 1152.461       91.15504 99.12135 4.046059 96.83295 3.890946 2.288391       5.613382 
1 1 1 -35 15 18 o 19.90575 5.620636 31.73975       41.50767 0.2044140      68.51149 50.02752       52.17290 18.68467 8.124735 21.12683 7.768842 -2.442158      11.24127 
1 1 1 -35 15 19 f 49.87865 4.220780 327.3107       49.58754 268.0047       73.86765 375.9609       66.90318 45.25479 6.746638 54.50251 5.073737 -9.247715      8.441560 
1 1 1 -35 15 20 o 22.33622 6.718104 38.57165       64.97438 -35.66924      117.1234 71.57644       78.09270 20.81649 9.669368 23.85594 9.329255 -3.039450      13.43621 
1 1 1 -35 17 1  o 135.3294 3.957506 2221.128       129.5735 0.000000       0.000000 2221.128       129.5735 ?        ?        135.3294 3.957506 ?              ?        
1 1 1 -35 17 2  o 182.3068 3.044969 4030.360       134.2703 4148.113       192.1857 3918.077       187.6686 184.9082 4.295984 179.7055 4.316464 5.202744       6.089937 
1 1 1 -35 17 3  o 168.9606 2.944812 3463.051       120.3578 3479.304       168.9213 3446.291       171.5321 169.3679 4.122408 168.5532 4.206355 0.8146667      5.889624 
1 1 1 -35 17 4  o 57.18879 3.769684 394.7178       51.85741 459.7479       76.58565 339.6582       70.47032 61.51771 5.145706 52.85988 5.510333 8.657829       7.539367 
1 1 1 -35 17 5  o 112.9408 2.803913 1547.911       76.57444 1598.172       107.9260 1496.962       108.6630 114.7938 3.886020 111.0878 4.043087 3.706032       5.607825 
1 1 1 -35 17 7  o 56.08060 5.110861 425.1148       58.77600 309.2207       104.6174 478.5675       71.04897 49.40257 9.087775 62.75863 4.679312 -13.35606      10.22172 
1 1 1 -35 17 8  o 49.97185 4.092619 304.1942       49.14797 353.4040       71.02891 258.9903       68.07652 53.86846 5.450023 46.07524 6.106993 7.793217       8.185238 
1 1 1 -35 17 9  o 64.16063 3.360391 501.0811       52.14224 484.4700       73.68360 517.7434       73.79707 63.08917 4.827405 65.23209 4.676012 -2.142918      6.720783 
1 1 1 -35 17 10 o 49.87630 3.900326 303.7914       47.04881 307.8968       67.59264 299.9328       65.52943 50.19866 5.565511 49.55395 5.465827 0.6447067      7.800652 
1 1 1 -35 17 11 o 68.51814 3.317353 572.1683       54.94356 590.8735       79.77370 555.2874       75.78362 69.57594 4.739127 67.46034 4.643276 2.115601       6.634706 
1 1 1 -35 17 12 o 89.43043 2.880898 972.5380       62.16185 1012.416       92.03666 939.0883       84.29311 91.09281 4.176135 87.76804 3.969660 3.324768       5.761796 
1 1 1 -35 17 13 o 97.94131 2.866052 1171.621       67.84703 1175.117       98.19614 1168.428       93.85161 98.06075 4.139014 97.82188 3.965549 0.2388687      5.732104 
1 1 1 -35 17 14 o 65.41208 3.506106 526.0637       55.35637 536.2701       81.43178 517.2952       75.47824 65.96776 5.102228 64.85639 4.810239 1.111366       7.012213 
1 1 1 -35 17 15 o 32.33458 5.549881 147.7941       45.98515 68.29215       74.77991 196.1398       58.31430 25.04667 9.284372 39.62249 6.083185 -14.57582      11.09976 
1 1 1 -35 17 16 o 25.13267 5.397951 80.84303       43.95006 -29.45029      75.24002 137.9676       54.14843 17.95781 8.115665 32.30754 7.119514 -14.34974      10.79590 
1 1 1 -35 17 17 o 38.67862 5.603682 212.5343       50.24216 146.4062       78.95347 257.5353       65.13122 32.32601 9.479751 45.03123 5.978236 -12.70522      11.20736 
1 1 1 -35 17 18 o 43.70442 5.344872 256.6425       54.84150 266.8680       83.38909 248.8490       72.80007 43.90659 8.150199 43.50225 6.916999 0.4043388      10.68974 
1 1 1 -35 17 19 o 36.61819 6.072473 200.4705       52.89788 173.2450       80.01911 221.6036       70.49967 33.63327 9.445155 39.60312 7.634708 -5.969849      12.14495 
1 1 1 -35 19 1  f 109.6908 2.797127 1458.171       74.14281 1385.015       101.9597 1540.265       108.0092 106.7791 3.946753 112.6026 3.964696 -5.823509      5.594254 
1 1 1 -35 19 2  o 68.77473 3.385979 575.1744       56.31726 597.7202       80.76535 553.8380       78.56932 70.08775 4.763001 67.46171 4.813859 2.626038       6.771958 
1 1 1 -35 19 3  o 123.7733 2.797720 1859.994       83.74951 1836.344       116.6314 1885.169       120.3348 122.9659 3.920383 124.5808 3.992437 -1.614937      5.595440 
1 1 1 -35 19 4  o 73.08252 3.242469 648.0573       57.24606 679.0986       83.80228 620.8994       78.38523 74.71481 4.636037 71.45024 4.534488 3.264565       6.484938 
1 1 1 -35 19 5  o 214.6926 3.281012 5607.963       170.4045 5714.973       242.8663 5504.200       239.1533 216.7117 4.632150 212.6736 4.647940 4.038086       6.562024 
1 1 1 -35 19 6  o 26.63078 5.979140 79.81135       44.27544 122.8449       67.96558 48.08549       58.35691 31.06796 8.697722 22.19359 8.206710 8.874369       11.95828 
1 1 1 -35 19 7  o 144.8649 4.062964 2552.701       142.3995 2552.701       142.3995 0.000000       0.000000 144.8649 4.062964 ?        ?        ?              ?        
1 1 1 -35 19 8  o 94.50059 6.116893 1095.776       139.8517 1095.776       139.8517 0.000000       0.000000 94.50059 6.116893 ?        ?        ?              ?        
1 1 1 -35 19 9  o 85.93764 3.031470 900.3463       62.99292 909.5181       90.82011 891.8433       87.44652 86.34945 4.347305 85.52583 4.226130 0.8236160      6.062939 
1 1 1 -35 19 10 o 102.6252 2.821142 1283.888       70.00666 1300.123       100.9535 1268.850       97.16392 103.2389 4.041810 102.0114 3.936896 1.227478       5.642284 
1 1 1 -35 19 11 o 61.25521 3.601517 461.6967       53.03864 453.5465       79.17149 468.3327       71.43903 60.70794 5.390400 61.80248 4.777792 -1.094547      7.203035 
1 1 1 -35 19 12 o 22.89131 5.606236 17.00473       45.35828 130.7237       72.15229 -57.30256      58.32428 31.55528 9.006626 14.22733 6.678338 17.32795       11.21247 
1 1 1 -35 19 13 o 54.06339 4.234533 367.0155       54.79203 337.6992       81.54063 391.1502       73.98454 51.94375 6.488412 56.18303 5.442939 -4.239281      8.469066 
1 1 1 -35 19 14 o 56.76812 4.026748 399.2244       54.79551 425.7640       84.37098 379.8639       72.06177 58.29454 5.982228 55.24171 5.391821 3.052830       8.053495 
1 1 1 -35 19 15 o 55.42599 4.300374 383.0286       57.26214 446.7989       86.86087 334.0115       76.15327 59.46749 6.037294 51.38448 6.125680 8.083008       8.600748 
1 1 1 -35 19 16 o 32.74497 5.648936 122.3825       55.79433 281.2295       84.46103 -0.6052500     74.31866 46.26503 7.545730 19.22491 8.408560 27.04012       11.29787 
1 1 1 -35 19 17 o 62.32043 4.400066 510.1435       65.48062 434.1545       94.37901 580.6719       90.92473 57.37605 6.798960 67.26480 5.587169 -9.888752      8.800132 
1 1 1 -35 19 18 o 64.15782 4.376262 545.9005       67.45348 634.3669       98.11838 466.6213       92.88396 69.38747 5.844764 58.92818 6.515015 10.45929       8.752524 
1 1 1 -35 21 1  o 65.53156 3.537501 523.1982       55.88109 552.2450       83.41308 499.5468       75.26859 67.15415 5.134037 63.90897 4.867990 3.245186       7.075003 
1 1 1 -35 21 2  o 94.60938 3.010494 1092.033       68.88610 1065.741       97.76246 1117.960       97.08045 93.46597 4.323309 95.75278 4.190618 -2.286812      6.020987 
1 1 1 -35 21 3  o 66.31818 3.544280 543.3997       56.19378 455.7010       80.41581 627.0905       78.55682 60.96861 5.451711 71.66774 4.530622 -10.69913      7.088561 
1 1 1 -35 21 4  o 110.6657 2.861503 1492.677       76.60850 1469.418       108.1914 1516.065       108.4907 109.7957 4.072914 111.5356 4.020470 -1.739922      5.723007 
1 1 1 -35 21 5  o 183.8133 3.064351 4108.234       136.0107 4400.084       199.9207 3856.764       185.5757 189.8604 4.352322 177.7661 4.314892 12.09433       6.128703 
1 1 1 -35 21 6  o 74.09138 3.285139 675.2631       58.52350 605.5097       84.20761 740.4323       81.39356 70.31432 4.950000 77.86843 4.320424 -7.554108      6.570279 
1 1 1 -35 21 7  o 32.45523 6.030040 127.5521       47.56132 186.9211       78.13065 92.59995       59.94854 37.82057 8.717455 27.08990 8.333756 10.73067       12.06008 
1 1 1 -35 21 8  o 105.8818 4.344543 1467.029       96.18753 1562.317       113.1982 1219.512       182.4415 113.0669 4.138110 98.69682 7.640437 14.37003       8.689087 
1 1 1 -35 21 9  o 21.67062 5.982241 23.70069       48.13234 79.25712       71.85748 -21.51144      64.82347 26.12454 9.177670 17.21670 7.675884 8.907843       11.96448 
1 1 1 -35 21 10 o 75.62050 3.383724 703.7338       61.86575 673.2167       87.33378 734.4721       87.64986 73.94876 4.881452 77.29224 4.687194 -3.343483      6.767448 
1 1 1 -35 21 11 o 56.34390 4.116901 392.9394       55.89696 445.3932       82.19678 347.8134       76.23942 59.86205 5.675458 52.82576 5.965290 7.036289       8.233803 
1 1 1 -35 21 12 o 26.02319 6.534842 80.02503       52.37747 57.92990       75.17021 100.8755       73.02235 24.04605 9.220458 28.00033 9.262817 -3.954277      13.06968 
1 1 1 -35 21 13 o 26.49462 6.009098 83.77718       52.79144 -25.54901      84.23908 154.4815       67.74455 19.23646 8.650117 33.75278 8.343410 -14.51632      12.01820 
1 1 1 -35 21 14 o 82.31326 3.422300 841.4207       67.85603 959.3188       100.0472 740.9851       92.34116 87.68639 4.715965 76.94012 4.960668 10.74628       6.844601 
1 1 1 -35 21 15 o 41.59358 5.799335 238.7401       57.03085 204.4008       81.68287 271.4019       79.66268 37.85794 9.042333 45.32922 7.263976 -7.471287      11.59867 
1 1 1 -35 21 16 o 35.81928 7.139095 197.6217       64.50177 199.2507       89.06313 195.8248       93.54000 36.12119 9.897988 35.51738 10.29060 0.6038094      14.27819 
1 1 1 -35 21 17 o 21.92401 6.682342 39.63896       64.29115 37.71856       88.14913 41.82149       93.97289 21.62109 9.308430 22.22693 9.589991 -0.6058445     13.36468 
1 1 1 -35 23 1  o 80.26128 3.277213 790.2435       63.54554 807.9618       92.78728 774.5926       87.20611 81.08244 4.729980 79.44012 4.537375 1.642319       6.554425 
1 1 1 -35 23 2  o 21.50879 6.059173 23.10272       47.98458 68.40952       75.59587 -7.469741      62.09857 25.31639 9.344697 17.70118 7.715631 7.615208       12.11835 
1 1 1 -35 23 3  o 32.28484 6.001335 126.5507       50.36153 214.4575       77.63438 62.68117       66.17434 40.51709 8.201216 24.05259 8.763797 16.46449       12.00267 
1 1 1 -35 23 4  o 81.51350 3.346720 826.0695       65.17729 705.9256       94.60364 934.6202       89.92355 75.68344 5.166598 87.34357 4.255398 -11.66013      6.693440 
1 1 1 -35 23 5  o 80.06091 3.351430 789.5919       64.73232 763.0525       94.16402 813.3714       89.13361 78.72627 4.943824 81.39555 4.526250 -2.669273      6.702861 
1 1 1 -35 23 6  o 61.39370 3.893083 464.4333       57.68029 496.0184       85.35135 437.8824       78.25442 63.28911 5.574156 59.49829 5.436283 3.790813       7.786166 
1 1 1 -35 23 7  o 21.72752 6.231987 28.77804       50.82074 46.79953       77.50103 15.18296       67.31362 23.50681 9.263054 19.94823 8.339453 3.558575       12.46397 
1 1 1 -35 23 8  o 21.71998 6.011222 11.24545       51.31883 93.81715       76.41290 -56.59911      69.26416 27.55137 9.476137 15.88859 7.398782 11.66278       12.02244 
1 1 1 -35 23 9  o 75.94450 3.519562 715.6802       64.56322 675.2989       91.81190 755.1838       90.80873 73.76048 5.144853 78.12853 4.804140 -4.368050      7.039124 
1 1 1 -35 23 10 o 62.90524 5.554430 495.0435       84.53346 0.000000       0.000000 495.0435       84.53346 ?        ?        62.90524 5.554430 ?              ?        
1 1 1 -35 23 11 o 49.43970 4.825875 313.6329       57.41123 306.4791       85.04366 319.6230       77.81988 48.76212 7.208703 50.11729 6.418014 -1.355179      9.651751 
1 1 1 -35 23 12 o 40.32835 5.872929 218.0621       58.44967 367.6501       87.44678 97.26365       78.58255 53.37034 6.772383 27.28635 9.596875 26.08399       11.74586 
1 1 1 -35 23 13 o 36.09475 6.773811 189.1203       60.11135 185.7793       83.60767 192.6952       86.48596 35.80840 9.495785 36.38109 9.662718 -0.5726852     13.54762 
1 1 1 -35 23 14 o 63.06310 4.364232 519.9675       65.93198 433.1532       91.35263 614.3543       95.25346 57.23052 6.597677 68.89568 5.714608 -11.66516      8.728464 
1 1 1 -35 23 15 o 24.73175 6.988977 72.97871       64.12080 35.07135       85.97847 120.4837       96.24929 21.52955 9.229316 27.93396 10.49776 -6.404415      13.97795 
1 1 1 -35 25 1  o 49.62634 4.899471 314.7116       58.48634 301.5794       86.23814 325.8960       79.58610 48.50915 7.348072 50.74352 6.482677 -2.234364      9.798942 
1 1 1 -35 25 2  o 38.06334 6.005284 199.6815       55.32076 138.3280       83.01100 248.7007       74.19925 31.91670 9.804625 44.20999 6.937082 -12.29329      12.01057 
1 1 1 -35 25 3  o 58.43927 4.330011 433.8279       60.44154 362.8731       86.43687 501.7168       84.54888 53.50385 6.677467 63.37469 5.514292 -9.870842      8.660022 
1 1 1 -35 25 4  o 53.15828 5.110024 380.8019       60.42916 263.8401       89.20695 479.9863       82.14825 44.32964 8.628122 61.98691 5.477672 -17.65727      10.22005 
1 1 1 -35 25 5  o 51.48723 4.710722 331.4814       58.21475 382.3225       89.31921 293.9351       76.75745 54.84075 6.731925 48.13371 6.591267 6.707047       9.421444 
1 1 1 -35 25 6  o 56.95702 4.691652 418.9931       63.22289 374.3034       96.63001 452.4431       83.60005 53.91488 7.408001 59.99916 5.759159 -6.084282      9.383304 
1 1 1 -35 25 7  o 43.89193 5.872771 267.0843       59.63572 178.4842       87.00371 345.5994       81.90254 35.69223 9.783891 52.09163 6.498710 -16.39941      11.74554 
1 1 1 -35 25 8  o 44.89658 5.524121 272.3803       57.35330 229.8943       85.61873 306.9628       77.24562 40.80923 8.920688 48.98394 6.518052 -8.174717      11.04824 
1 1 1 -35 25 9  o 26.69217 6.858819 87.16513       57.62855 116.1891       85.59930 63.10489       77.93671 29.20347 10.03043 24.18086 9.357564 5.022614       13.71764 
1 1 1 -35 25 10 o 96.51326 3.290727 1169.258       76.57987 1054.698       107.6240 1286.743       108.9895 91.56657 4.858140 101.4599 4.440047 -9.893372      6.581454 
1 1 1 -35 25 11 o 52.58175 4.964545 366.8502       62.97348 399.7946       89.66068 334.7770       88.46720 55.10341 6.725448 50.06009 7.304463 5.043320       9.929090 
1 1 1 -35 25 12 o 50.48576 5.598085 355.2948       66.16967 413.9695       95.38473 300.8643       91.87029 55.32938 7.125588 45.64214 8.635984 9.687248       11.19617 
1 1 1 -35 25 13 o 30.83756 6.715901 146.3697       62.08239 232.4321       87.18616 57.84943       88.42240 38.65954 9.410217 23.01558 9.584421 15.64396       13.43180 
1 1 1 -35 27 9  o 31.18901 13.73950 147.1743       201.6067 0.000000       0.000000 147.1743       201.6067 ?        ?        31.18901 13.73950 ?              ?        
1 1 1 -35 27 10 o 57.12297 8.831370 582.5134       115.3991 596.4307       142.0513 555.5027       197.8947 62.84604 9.342544 51.39991 14.98964 11.44613       17.66274 
1 1 1 -35 27 11 o 79.24129 7.029838 961.9894       126.5612 869.6014       152.8762 1163.236       225.6299 76.53256 8.256413 81.95002 11.38008 -5.417458      14.05968 
1 1 1 -34 0  1  o 196.9219 2.961024 4698.544       199.3011 4698.544       199.3011 4698.544       199.3011 196.9219 4.187520 196.9219 4.187520 0.000000       0.000000 
1 1 1 -34 0  2  o 189.8876 2.911695 4368.990       188.9725 4368.990       188.9725 4368.990       188.9725 189.8876 4.117758 189.8876 4.117758 0.000000       0.000000 
1 1 1 -34 0  3  o 268.4814 3.682028 8732.804       337.9479 8732.804       337.9479 8732.804       337.9479 268.4814 5.207173 268.4814 5.207173 0.000000       0.000000 
1 1 1 -34 0  4  o 338.2242 4.443899 13860.61       513.8635 13860.61       513.8635 13860.61       513.8635 338.2242 6.284622 338.2242 6.284622 0.000000       0.000000 
1 1 1 -34 0  5  f 338.7685 4.448462 13906.10       515.2195 13906.10       515.2195 13906.10       515.2195 338.7685 6.291075 338.7685 6.291075 0.000000       0.000000 
1 1 1 -34 0  6  o 805.4687 9.958718 78845.17       2742.647 78845.17       2742.647 78845.17       2742.647 805.4687 14.08375 805.4687 14.08375 0.000000       0.000000 
1 1 1 -34 0  7  o 21.44182 6.944097 81.04700       55.60284 81.04700       55.60284 81.04700       55.60284 21.44182 9.820436 21.44182 9.820436 0.000000       0.000000 
1 1 1 -34 0  8  o 256.6413 3.540397 7981.695       310.6152 7981.695       310.6152 7981.695       310.6152 256.6413 5.006877 256.6413 5.006877 0.000000       0.000000 
1 1 1 -34 0  9  o 152.2756 2.525380 2810.665       131.4119 2810.665       131.4119 2810.665       131.4119 152.2756 3.571427 152.2756 3.571427 0.000000       0.000000 
1 1 1 -34 0  10 o 362.2777 4.706282 15915.99       582.9162 15915.99       582.9162 15915.99       582.9162 362.2777 6.655688 362.2777 6.655688 0.000000       0.000000 
1 1 1 -34 0  11 o 246.6342 3.431540 7373.367       289.3211 7373.367       289.3211 7373.367       289.3211 246.6342 4.852931 246.6342 4.852931 0.000000       0.000000 
1 1 1 -34 0  12 o 14.39443 5.422880 36.01068       36.24150 36.01068       36.24150 36.01068       36.24150 14.39443 7.669110 14.39443 7.669110 0.000000       0.000000 
1 1 1 -34 0  13 o 291.6646 3.926222 10316.97       391.4900 10316.97       391.4900 10316.97       391.4900 291.6646 5.552517 291.6646 5.552517 0.000000       0.000000 
1 1 1 -34 0  14 o 134.6382 2.438166 2198.646       112.1514 2198.646       112.1514 2198.646       112.1514 134.6382 3.448088 134.6382 3.448088 0.000000       0.000000 
1 1 1 -34 0  15 o 26.61984 4.981633 102.0402       39.20065 102.0402       39.20065 102.0402       39.20065 26.61984 7.045093 26.61984 7.045093 0.000000       0.000000 
1 1 1 -34 0  16 o 8.076720 3.885041 -18.58149      32.72830 -18.58149      32.72830 -18.58149      32.72830 8.076720 5.494277 8.076720 5.494277 0.000000       0.000000 
1 1 1 -34 0  17 o 104.1910 2.294546 1319.218       81.61868 1319.218       81.61868 1319.218       81.61868 104.1910 3.244978 104.1910 3.244978 0.000000       0.000000 
1 1 1 -34 2  1  o 265.8102 4.231793 8419.522       231.0536 8300.253       263.4200 8817.371       481.1078 261.8726 4.157731 269.7479 7.371945 -7.875305      8.463587 
1 1 1 -34 2  2  o 117.2637 2.891528 1521.900       74.83195 1343.748       87.21557 2019.036       145.6921 105.3772 3.420936 129.1501 4.662716 -23.77287      5.783055 
1 1 1 -34 2  3  o 324.0565 4.934630 12775.54       336.9495 12832.00       390.6680 12611.54       665.8234 325.5762 4.959671 322.5368 8.532523 3.039398       9.869260 
1 1 1 -34 2  4  o 568.1875 8.210624 39293.99       979.9240 39373.24       1133.826 39060.08       1948.003 569.9128 8.223104 566.4622 14.21400 3.450684       16.42125 
1 1 1 -34 2  5  o 105.1126 2.653389 1320.889       58.20079 1305.335       66.87955 1369.423       118.1405 103.8657 2.661454 106.3595 4.591138 -2.493752      5.306777 
1 1 1 -34 2  6  o 275.0772 4.340225 8978.889       244.2449 8820.149       277.7394 9520.523       513.0360 269.9283 4.252916 280.2262 7.567227 -10.29791      8.680450 
1 1 1 -34 2  7  o 326.9265 4.967198 12943.71       392.8836 12943.71       392.8836 0.000000       0.000000 326.9265 4.967198 ?        ?        ?              ?        
1 1 1 -34 2  8  o 236.2007 4.075984 6816.467       221.3587 6945.286       274.7621 6578.228       373.6586 239.4724 4.742410 232.9289 6.630546 6.543579       8.151969 
1 1 1 -34 2  9  o 79.11743 2.557186 757.8770       41.99417 757.9518       48.27324 757.6443       85.14954 79.14123 2.521165 79.09364 4.449779 0.4758453E-01  5.114373 
1 1 1 -34 2  10 o 139.5905 2.817885 2322.448       81.46901 2288.589       93.22383 2431.886       167.5999 137.5093 2.802157 141.6718 4.889766 -4.162460      5.635770 
1 1 1 -34 2  11 o 460.9606 6.782188 25881.14       654.4489 25878.40       755.6642 25889.35       1309.044 461.7180 6.764718 460.2031 11.75716 1.514984       13.56438 
1 1 1 -34 2  12 f 159.9817 2.622699 3093.334       101.4050 2955.121       139.5948 3247.753       147.5524 156.2067 3.693750 163.7568 3.724300 -7.550110      5.245399 
1 1 1 -34 2  13 o 85.34120 2.356193 881.4184       48.62398 842.7789       67.91045 922.0651       69.65199 83.42234 3.364744 87.26006 3.299254 -3.837715      4.712386 
1 1 1 -34 2  14 o 261.7899 3.603623 8313.050       228.1923 8432.075       326.8636 8199.884       318.7159 263.6129 5.125045 259.9669 5.067378 3.645966       7.207247 
1 1 1 -34 2  15 o 189.2888 2.875558 4342.908       131.6379 4441.255       189.4188 4251.041       183.0717 191.3571 4.091439 187.2204 4.041715 4.136703       5.751116 
1 1 1 -34 2  16 o 101.4385 2.270784 1245.406       55.63307 1146.360       77.08053 1353.105       80.37705 97.23122 3.276699 105.6457 3.144690 -8.414490      4.541567 
1 1 1 -34 2  17 o 163.1592 2.641983 3233.866       104.2691 3175.821       145.6775 3294.839       149.3070 161.6609 3.724648 164.6576 3.747971 -2.996674      5.283966 
1 1 1 -34 2  18 o 49.89363 3.318017 302.7256       40.05216 302.7256       40.05216 0.000000       0.000000 49.89363 3.318017 ?        ?        ?              ?        
1 1 1 -34 4  1  o 135.6922 2.928488 2348.357       85.08436 2508.425       101.3212 1965.497       156.7002 143.9780 2.908721 127.4065 5.083652 16.57152       5.856977 
1 1 1 -34 4  2  o 127.9185 3.015669 1944.308       87.06723 1882.970       104.8085 2080.904       156.4043 124.7365 3.472967 131.1006 4.931079 -6.364059      6.031338 
1 1 1 -34 4  3  o 615.5424 8.807043 46724.45       1160.960 47493.50       1362.625 44687.69       2217.530 625.7032 9.001311 605.3815 15.14042 20.32172       17.61409 
1 1 1 -34 4  4  o 287.5653 4.474072 10056.67       270.6681 10096.78       313.5281 9939.322       536.3003 288.7993 4.487227 286.3313 7.741710 2.467987       8.948144 
1 1 1 -34 4  5  o 390.4606 5.838346 18289.62       470.0339 18107.81       537.3828 18881.62       969.7126 386.6464 5.744702 394.2748 10.16580 -7.628418      11.67669 
1 1 1 -34 4  6  o 279.2941 4.387299 9350.999       253.3892 9258.831       290.0735 9647.829       520.5601 276.5421 4.335552 282.0460 7.628666 -5.503876      8.774597 
1 1 1 -34 4  7  o 115.5286 2.724427 1637.400       65.68216 1659.162       75.95464 1572.873       130.7905 117.0930 2.681151 113.9642 4.743569 3.128754       5.448855 
1 1 1 -34 4  8  o 106.0454 2.649231 1360.902       67.96953 1360.902       67.96953 0.000000       0.000000 106.0454 2.649231 ?        ?        ?              ?        
1 1 1 -34 4  9  o 298.9947 4.906871 10851.65       334.6452 10860.49       409.9992 10834.03       579.2151 299.3288 5.661509 298.6605 8.016038 0.6683044      9.813743 
1 1 1 -34 4  10 o 162.9055 3.236228 3266.873       121.1260 3390.106       151.0177 3044.616       202.8108 167.3228 3.730530 158.4883 5.289217 8.834427       6.472455 
1 1 1 -34 4  11 o 43.56718 3.976140 254.1588       32.03433 269.8262       36.34721 199.6431       67.80061 47.20975 3.182271 39.92460 7.287792 7.285152       7.952280 
1 1 1 -34 4  12 o 376.0368 5.632559 17291.96       446.3425 17388.23       517.8164 17013.68       880.4322 378.6015 5.653158 373.4722 9.743957 5.129333       11.26512 
1 1 1 -34 4  13 o 215.5023 3.647992 5649.426       164.5198 5665.862       190.0291 5600.238       328.7392 216.2757 3.631701 214.7289 6.327885 1.546783       7.295983 
1 1 1 -34 4  14 o 83.71703 2.839014 846.5486       48.64601 843.9634       55.52470 855.0863       100.9039 83.48752 2.748921 83.94654 4.968243 -0.4590225     5.678029 
1 1 1 -34 4  15 o 176.7808 2.775664 3790.467       118.7111 3800.263       168.6294 3780.842       167.1460 177.0058 3.937710 176.5558 3.913015 0.4499359      5.551328 
1 1 1 -34 4  16 o 94.81337 2.300363 1088.819       52.73429 1135.064       76.16550 1046.239       73.08494 96.74455 3.254089 92.88219 3.252319 3.862366       4.600726 
1 1 1 -34 4  17 f 60.59115 2.508243 441.8276       35.98241 583.0299       53.78127 327.4004       48.41445 69.29636 3.207881 51.88593 3.856764 17.41043       5.016486 
1 1 1 -34 4  18 o 132.7036 3.391651 2142.808       108.8920 2142.808       108.8920 0.000000       0.000000 132.7036 3.391651 ?        ?        ?              ?        
1 1 1 -34 4  19 o 43.26577 3.388310 228.2183       35.46744 228.2183       35.46744 0.000000       0.000000 43.26577 3.388310 ?        ?        ?              ?        
1 1 1 -34 6  1  o 281.3311 4.492983 9096.207       249.0031 8762.935       277.7814 10459.25       561.7700 269.0349 4.267684 293.6274 7.907874 -24.59253      8.985967 
1 1 1 -34 6  2  o 176.9702 3.441628 3697.030       136.2653 3551.317       162.5407 4041.642       249.9642 171.2823 3.922359 182.6581 5.656353 -11.37584      6.883257 
1 1 1 -34 6  3  o 408.5370 6.031067 20454.07       523.3886 20677.96       610.5348 19833.43       1016.527 413.1097 6.108614 403.9644 10.40096 9.145233       12.06213 
1 1 1 -34 6  4  o 212.4826 3.637200 5266.707       155.6284 5113.646       175.3508 5834.623       337.7662 205.5455 3.526124 219.4197 6.362653 -13.87424      7.274401 
1 1 1 -34 6  5  o 83.73175 2.883710 855.2739       49.14618 860.8761       56.09248 836.7639       101.9600 84.34442 2.748818 83.11907 5.070220 1.225349       5.767420 
1 1 1 -34 6  6  o 196.8515 3.420118 4646.277       139.3541 4603.294       159.6176 4784.057       285.7776 195.0163 3.383043 198.6868 5.945069 -3.670517      6.840236 
1 1 1 -34 6  7  o 37.48151 4.857705 220.2063       37.81106 284.9450       45.67727 79.27424       67.39432 48.51313 3.891693 26.44989 8.901905 22.06324       9.715409 
1 1 1 -34 6  8  o 237.8291 4.133876 6735.383       219.7669 6548.013       262.6238 7173.111       401.4085 232.5004 4.668829 243.1578 6.823325 -10.65741      8.267753 
1 1 1 -34 6  9  o 197.4578 3.437107 4685.842       140.2944 4650.792       160.6704 4798.334       287.8451 195.9992 3.388280 198.9163 5.981169 -2.917114      6.874215 
1 1 1 -34 6  10 o 228.6921 3.766311 6333.533       208.3865 6333.533       208.3865 0.000000       0.000000 228.6921 3.766311 ?        ?        ?              ?        
1 1 1 -34 6  11 o 114.0151 2.895183 1624.404       67.62127 1671.021       77.85749 1481.261       136.4313 117.4944 2.738930 110.5358 5.101627 6.958588       5.790365 
1 1 1 -34 6  12 o 100.5853 3.043918 1152.790       67.51815 1059.288       79.04420 1405.116       129.8491 93.52289 3.493412 107.6478 4.985763 -14.12490      6.087837 
1 1 1 -34 6  13 o 88.39834 3.174659 950.8073       60.27997 954.8699       70.63420 939.9167       115.6474 88.79265 3.288030 88.00403 5.431639 0.7886200      6.349318 
1 1 1 -34 6  14 o 72.20849 3.363489 685.8006       46.48098 725.0388       52.62503 546.5794       99.12664 77.37519 2.811178 67.04179 6.111425 10.33340       6.726978 
1 1 1 -34 6  15 o 29.28349 5.204510 104.2872       31.03964 104.2881       34.31328 104.2832       72.81664 29.29381 4.841547 29.27318 9.214507 0.2063179E-01  10.40902 
1 1 1 -34 6  16 o 58.44096 3.357849 443.2563       38.45168 465.3923       43.79001 368.7091       80.36030 61.95238 2.921560 54.92954 6.046906 7.022839       6.715697 
1 1 1 -34 6  17 o 82.77461 2.295403 831.6674       45.91905 847.8088       66.75111 817.1666       63.26752 83.53008 3.303036 82.01916 3.188329 1.510918       4.590805 
1 1 1 -34 6  18 o 47.05759 2.677662 268.8427       30.41661 290.5827       44.81267 250.2710       41.41869 48.81294 3.794579 45.30224 3.778978 3.510696       5.355325 
1 1 1 -34 6  19 o 13.31765 5.726828 -1.516793      33.28873 -1.516793      33.28873 0.000000       0.000000 13.31765 5.726828 ?        ?        ?              ?        
1 1 1 -34 6  20 f 47.98376 3.305887 281.5898       38.37820 281.5898       38.37820 0.000000       0.000000 47.98376 3.305887 ?        ?        ?              ?        
1 1 1 -34 8  1  o 443.2370 5.654327 23841.59       606.1968 24170.01       868.9300 23530.20       846.1088 446.1994 8.049213 440.2746 7.943288 5.924866       11.30865 
1 1 1 -34 8  2  o 461.7076 5.871267 25804.66       654.3060 26975.89       966.0718 24812.10       889.3400 471.3225 8.472058 452.0928 8.130887 19.22964       11.74253 
1 1 1 -34 8  3  o 301.7921 4.047623 11035.44       295.5105 10929.18       414.6090 11145.15       421.3011 300.3173 5.706320 303.2668 5.742030 -2.949554      8.095245 
1 1 1 -34 8  4  o 228.4398 4.644307 6320.135       256.6818 6320.135       256.6818 0.000000       0.000000 228.4398 4.644307 ?        ?        ?              ?        
1 1 1 -34 8  5  o 275.6100 3.763067 9199.840       250.8447 9351.191       360.2167 9057.342       349.5210 277.8067 5.359432 273.4133 5.283860 4.393463       7.526134 
1 1 1 -34 8  6  o 206.2974 3.061516 5148.513       152.6991 5301.257       220.9986 5008.974       211.2306 209.2202 4.365999 203.3747 4.292968 5.845535       6.123032 
1 1 1 -34 8  7  o 119.9436 2.418552 1739.456       70.13273 1653.713       97.38426 1831.839       101.0845 116.8761 3.443980 123.0110 3.396552 -6.134888      4.837103 
1 1 1 -34 8  8  f 188.3225 4.083234 4295.263       186.0410 0.000000       0.000000 4295.263       186.0410 ?        ?        188.3225 4.083234 ?              ?        
1 1 1 -34 8  9  o 288.3581 3.894334 10081.23       271.6724 10004.30       381.8523 10160.08       386.5972 287.2458 5.494644 289.4704 5.520167 -2.224640      7.788669 
1 1 1 -34 8  10 o 159.6824 2.662452 3085.177       102.8076 2987.531       142.7242 3190.481       148.2150 157.0594 3.756052 162.3054 3.774477 -5.246078      5.324904 
1 1 1 -34 8  11 o 277.1024 3.784670 9313.265       253.7219 9352.938       360.4631 9274.306       357.1932 277.6855 5.365439 276.5193 5.339190 1.166138       7.569339 
1 1 1 -34 8  12 o 120.0048 2.457908 1744.349       71.35833 1750.153       100.5142 1738.450       101.3225 120.2069 3.456176 119.8026 3.495724 0.4042969      4.915815 
1 1 1 -34 8  13 o 159.2099 2.693588 3068.163       103.6885 2950.926       143.6907 3195.537       149.7737 156.0408 3.806169 162.3789 3.812446 -6.338074      5.387176 
1 1 1 -34 8  14 o 24.66512 4.541594 68.75250       30.66419 131.7217       46.05942 18.62506       41.09531 32.37042 6.105103 16.95983 6.725474 15.41059       9.083187 
1 1 1 -34 8  15 o 15.72530 5.133277 -27.33590      30.95041 -29.27284      33.39463 -15.53837      82.41663 11.14874 5.173322 20.30186 8.867857 -9.153121      10.26655 
1 1 1 -34 8  16 o 51.65443 4.098509 324.9658       42.36977 323.7779       47.93540 329.2088       90.59395 51.60492 3.839396 51.70393 7.242246 -0.9901428E-01 8.197018 
1 1 1 -34 8  17 o 84.65424 2.979918 887.9311       50.16573 898.5938       56.83480 850.3272       106.7322 86.03231 2.730552 83.27615 5.297520 2.756157       5.959835 
1 1 1 -34 8  18 o 44.72212 3.961639 241.5009       34.87476 237.7195       39.11585 256.1570       77.00816 44.14005 3.662838 45.30419 7.025805 -1.164139      7.923277 
1 1 1 -34 8  19 o 54.82964 2.559005 357.7604       33.41564 460.0393       51.96450 285.6477       43.63344 61.35026 3.500967 48.30903 3.733265 13.04123       5.118011 
1 1 1 -34 8  20 o 60.13343 3.700085 444.2583       53.83070 444.2583       53.83070 0.000000       0.000000 60.13343 3.700085 ?        ?        ?              ?        
1 1 1 -34 10 1  o 229.5965 3.319167 6382.209       184.3038 6245.511       256.3889 6528.375       265.1203 227.0560 4.667281 232.1370 4.720590 -5.080963      6.638334 
1 1 1 -34 10 2  o 288.6805 3.915705 10091.86       273.2989 10347.11       395.3992 9858.352       378.1815 292.1667 5.593747 285.1944 5.480965 6.972260       7.831409 
1 1 1 -34 10 3  o 179.6775 2.865174 3909.451       124.5497 3932.458       176.5317 3886.647       175.7508 180.2040 4.049077 179.1510 4.054858 1.053009       5.730349 
1 1 1 -34 10 4  o 323.4126 4.295740 12658.72       335.6415 13132.34       490.8537 12242.79       459.9860 329.0714 6.165377 317.7538 5.983449 11.31760       8.591480 
1 1 1 -34 10 5  o 198.2944 3.017594 4757.154       144.6665 4901.325       209.4514 4625.634       200.0508 201.1621 4.303630 195.4268 4.231105 5.735229       6.035187 
1 1 1 -34 10 6  o 170.7104 2.786084 3529.188       115.0674 3527.167       163.0567 3531.193       162.4051 170.6613 3.949129 170.7595 3.931085 -0.9826660E-01 5.572167 
1 1 1 -34 10 7  o 355.3063 4.650485 15319.66       399.7339 15436.39       569.5342 15206.33       561.1766 356.6359 6.600737 353.9767 6.552733 2.659149       9.300970 
1 1 1 -34 10 8  o 309.7015 4.142766 11634.40       310.4054 11677.67       440.4682 11591.71       437.5059 310.2723 5.867719 309.1308 5.849778 1.141510       8.285531 
1 1 1 -34 10 9  o 89.41833 2.507803 968.3008       54.15718 893.3844       75.86324 1046.158       77.33770 85.88834 3.650857 92.94833 3.439120 -7.059998      5.015606 
1 1 1 -34 10 10 o 280.3352 3.829171 9533.155       259.7069 9546.569       367.7962 9519.816       366.7680 280.5313 5.419055 280.1390 5.411472 0.3922729      7.658341 
1 1 1 -34 10 11 o 91.47184 3.631212 1013.567       80.36024 0.000000       0.000000 1013.567       80.36024 ?        ?        91.47184 3.631212 ?              ?        
1 1 1 -34 10 12 o 216.3319 3.191135 5675.919       167.0180 5680.007       235.6897 5671.795       236.7119 216.4116 4.501505 216.2523 4.524360 0.1593018      6.382271 
1 1 1 -34 10 13 o 44.62141 3.509233 241.9735       37.79758 263.3008       53.87730 221.3037       53.04024 46.56508 4.782369 42.67775 5.136907 3.887337       7.018466 
1 1 1 -34 10 14 o 85.34587 2.538232 884.1042       52.38278 905.5925       73.53740 861.9692       74.63569 86.40401 3.517807 84.28772 3.659990 2.116295       5.076465 
1 1 1 -34 10 15 o 127.6450 2.545109 1973.365       78.46554 1887.265       107.2215 2072.642       115.1346 124.6618 3.555054 130.6282 3.643063 -5.966324      5.090218 
1 1 1 -34 10 16 o 23.15250 5.136604 66.26363       31.97106 57.45040       49.89654 72.40218       41.64242 22.37760 7.658977 23.92739 6.846816 -1.549788      10.27321 
1 1 1 -34 10 17 o 36.68489 3.864565 163.2516       33.71839 178.3197       53.69442 153.4406       43.32653 38.01817 5.837617 35.35160 5.065735 2.666569       7.729130 
1 1 1 -34 10 18 o 66.37566 3.712995 571.0566       45.23451 587.1557       50.22055 501.8441       104.1295 69.43559 2.989489 63.31572 6.797668 6.119877       7.425991 
1 1 1 -34 10 19 o 128.1191 5.196225 2039.262       161.0661 0.000000       0.000000 2039.262       161.0661 ?        ?        128.1191 5.196225 ?              ?        
1 1 1 -34 10 20 o 36.20108 4.488144 168.4612       32.70391 167.3587       37.55436 171.9215       66.53049 36.76183 4.222415 35.64034 7.921172 1.121494       8.976289 
1 1 1 -34 12 1  o 217.8427 3.239104 5747.631       170.6748 5635.792       238.2603 5865.505       244.6059 215.6682 4.566288 220.0172 4.595236 -4.349091      6.478209 
1 1 1 -34 12 2  f 87.46849 3.844222 926.5574       81.35091 926.5574       81.35091 0.000000       0.000000 87.46849 3.844222 ?        ?        ?              ?        
1 1 1 -34 12 3  o 229.5184 3.338723 6378.821       185.3106 6531.805       267.0716 6236.787       257.3369 232.1674 4.754710 226.8693 4.688394 5.298157       6.677447 
1 1 1 -34 12 4  o 179.4440 2.891935 3898.524       125.5215 3814.589       175.2513 3986.938       179.8671 177.4621 4.081816 181.4259 4.097795 -3.963806      5.783870 
1 1 1 -34 12 5  o 218.7877 4.570429 5800.198       241.9258 5800.198       241.9258 0.000000       0.000000 218.7877 4.570429 ?        ?        ?              ?        
1 1 1 -34 12 6  o 47.59197 3.804320 281.6909       42.25089 197.7780       60.03375 364.0456       59.47374 40.37140 6.146379 54.81255 4.484798 -14.44114      7.608640 
1 1 1 -34 12 7  o 298.4152 4.033831 10795.93       291.1037 11024.35       419.3620 10583.51       404.4105 301.4529 5.749993 295.3774 5.659040 6.075439       8.067661 
1 1 1 -34 12 8  o 119.9890 2.554762 1743.756       74.16409 1744.972       104.8371 1742.538       104.9307 120.0309 3.610102 119.9470 3.615853 0.8395386E-01  5.109524 
1 1 1 -34 12 9  o 213.2706 3.175004 5511.604       163.7970 5607.990       234.2480 5419.388       229.1248 215.0934 4.501388 211.4477 4.478852 3.645706       6.350008 
1 1 1 -34 12 10 o 55.26959 3.276253 370.5225       43.79579 361.0820       62.07180 379.8812       61.80228 54.56635 4.701831 55.97283 4.563782 -1.406479      6.552505 
1 1 1 -34 12 11 o 283.8900 3.890831 9787.971       267.2196 9888.761       380.4734 9689.857       375.3891 285.3301 5.511557 282.4497 5.493361 2.880402       7.781663 
1 1 1 -34 12 12 o 48.86175 3.508604 290.0497       41.47212 295.9781       58.81892 284.1887       58.48339 49.35979 4.925399 48.36371 4.998165 0.9960861      7.017208 
1 1 1 -34 12 13 o 219.8557 3.243761 5874.800       172.5330 5864.022       242.8402 5885.785       245.1736 219.6561 4.569567 220.0553 4.605107 -0.3991852     6.487523 
1 1 1 -34 12 14 o 72.24605 2.742742 634.1976       47.90496 667.7511       68.28095 601.6720       67.22703 74.13372 3.806988 70.35838 3.949352 3.775345       5.485484 
1 1 1 -34 12 15 o 24.67317 5.075061 72.39678       34.46636 115.7488       49.85962 32.72259       47.69781 30.04150 6.991243 19.30484 7.358497 10.73666       10.15012 
1 1 1 -34 12 16 o 93.57906 2.562324 1067.280       57.96551 1013.667       81.63172 1121.807       82.32388 91.19372 3.699915 95.96441 3.545792 -4.770691      5.124648 
1 1 1 -34 12 17 o 69.36870 2.821409 589.0415       47.28460 551.4226       66.67628 627.1021       67.06649 67.11631 4.106208 71.62108 3.870458 -4.504768      5.642817 
1 1 1 -34 12 18 o 91.53160 3.599508 1025.594       79.71069 0.000000       0.000000 1025.594       79.71069 ?        ?        91.53160 3.599508 ?              ?        
1 1 1 -34 12 19 o 91.69674 2.618905 1035.371       57.99064 1008.100       83.93260 1060.281       80.21588 90.48626 3.833944 92.90722 3.568688 -2.420959      5.237810 
1 1 1 -34 12 20 o 38.89402 6.142371 223.2380       51.81464 173.9441       101.0772 240.8090       60.34692 34.31339 10.86264 43.47466 5.737420 -9.161274      12.28474 
1 1 1 -34 14 1  o 181.3439 2.976098 3984.233       130.5636 3939.936       183.3331 4029.821       185.9852 180.3217 4.202333 182.3661 4.215333 -2.044388      5.952196 
1 1 1 -34 14 2  o 65.20813 3.305666 510.6246       51.68985 616.7745       76.89548 423.1180       69.81707 71.33945 4.455216 59.07681 4.884748 12.26264       6.611332 
1 1 1 -34 14 3  o 130.4185 3.826633 2060.323       120.7420 0.000000       0.000000 2060.323       120.7420 ?        ?        130.4185 3.826633 ?              ?        
1 1 1 -34 14 4  o 244.9798 3.507696 7249.999       207.4127 7658.750       306.4198 6904.344       281.7787 251.3203 5.039493 238.6393 4.880496 12.68109       7.015392 
1 1 1 -34 14 5  o 170.1591 2.870408 3505.636       118.1264 3605.107       169.7897 3412.323       164.4502 172.4962 4.068454 167.8219 4.050265 4.674316       5.740816 
1 1 1 -34 14 6  o 219.5748 3.272534 5840.798       173.7858 5988.165       249.8728 5702.727       241.8633 222.2539 4.646943 216.8958 4.609104 5.358047       6.545068 
1 1 1 -34 14 7  o 232.4450 3.385693 6550.713       190.3822 6488.098       266.9435 6615.531       271.5989 231.3168 4.769906 233.5732 4.806211 -2.256363      6.771385 
1 1 1 -34 14 8  o 198.4736 3.070015 4775.154       147.4115 4813.621       209.5067 4737.438       207.4510 199.2648 4.345754 197.6825 4.337557 1.582321       6.140030 
1 1 1 -34 14 9  o 48.27501 4.011632 280.8868       46.11470 357.2528       68.47803 217.5166       62.37978 54.24792 5.217541 42.30210 6.095084 11.94582       8.023265 
1 1 1 -34 14 10 o 77.04024 2.859139 719.8898       53.27855 739.4313       75.47115 700.4760       75.22395 78.08492 3.994952 75.99555 4.091340 2.089363       5.718278 
1 1 1 -34 14 11 o 62.60493 3.324888 486.2322       49.07432 367.8551       70.37082 598.3049       68.47129 54.99402 5.289015 70.21584 4.030613 -15.22182      6.649776 
1 1 1 -34 14 12 f 219.6198 3.263847 5861.310       173.3651 6017.840       249.0392 5714.131       241.4858 222.4602 4.627145 216.7795 4.604380 5.680695       6.527694 
1 1 1 -34 14 13 o 99.09086 2.671528 1193.277       64.03463 1162.135       90.18178 1224.946       90.94028 97.78280 3.812010 100.3989 3.743906 -2.616119      5.343056 
1 1 1 -34 14 14 o 61.97470 3.258529 471.6967       48.55820 423.8629       69.94037 516.2106       67.46960 58.88500 4.909315 65.06440 4.286101 -6.179398      6.517057 
1 1 1 -34 14 15 o 40.81605 4.298709 203.7377       42.24563 229.8783       63.41277 182.8777       56.64680 43.14815 6.074524 38.48395 6.084059 4.664196       8.597419 
1 1 1 -34 14 16 o 85.33058 2.751395 884.8763       56.61553 957.8237       84.32835 825.0139       76.39162 88.50232 3.938371 82.15884 3.843166 6.343483       5.502789 
1 1 1 -34 14 17 o 81.27933 2.859023 804.1384       55.98402 904.3787       83.55771 722.4855       75.41384 85.84316 4.023264 76.71549 4.063177 9.127670       5.718047 
1 1 1 -34 14 18 o 56.62560 3.532615 391.6568       47.94030 465.9286       73.82729 337.5051       63.03924 61.18316 4.987498 52.06805 5.004231 9.115105       7.065229 
1 1 1 -34 14 19 o 20.68035 5.375449 35.21228       41.49386 -39.96224      64.50831 88.26686       54.19283 15.72621 7.259443 25.63449 7.929834 -9.908285      10.75090 
1 1 1 -34 14 20 o 18.74562 6.011816 -12.18846      55.23077 -74.65794      110.0798 8.828078       63.84900 19.22070 9.069431 18.27055 7.893867 0.9501534      12.02363 
1 1 1 -34 16 1  o 203.2861 3.177426 5010.575       156.2444 4979.477       218.5798 5043.066       223.4259 202.6451 4.458325 203.9272 4.528518 -1.282089      6.354852 
1 1 1 -34 16 2  o 99.86298 2.845889 1209.083       68.73140 1174.004       97.42284 1243.845       96.98043 98.41720 4.091546 101.3088 3.956715 -2.891563      5.691779 
1 1 1 -34 16 3  o 303.1085 4.120916 11150.94       302.0536 10934.86       419.3392 11383.94       435.4530 300.0693 5.776193 306.1476 5.879064 -6.078278      8.241832 
1 1 1 -34 16 4  o 154.4146 2.828434 2887.097       105.6149 3001.774       152.0162 2780.095       146.8422 157.3764 3.992526 151.4528 4.007479 5.923584       5.656868 
1 1 1 -34 16 5  o 56.61797 3.776516 389.4403       51.67302 382.0099       74.42967 396.3540       71.79490 56.09077 5.484694 57.14516 5.192922 -1.054390      7.553033 
1 1 1 -34 16 6  o 205.8613 3.176209 5136.877       158.1390 5279.788       227.2154 5002.616       220.2327 208.6353 4.501401 203.0874 4.482254 5.547836       6.352417 
1 1 1 -34 16 7  o 45.57524 5.110595 271.1834       51.88952 365.0686       71.69014 167.8763       75.20145 54.81705 5.405569 36.33343 8.674822 18.48362       10.22119 
1 1 1 -34 16 8  o 121.8871 3.817326 1801.654       112.5692 1801.654       112.5692 0.000000       0.000000 121.8871 3.817326 ?        ?        ?              ?        
1 1 1 -34 16 9  o 66.60966 3.180684 538.4921       51.23044 563.7676       73.47368 514.5767       71.46946 68.13215 4.457357 65.08717 4.538610 3.044975       6.361368 
1 1 1 -34 16 10 o 88.98428 2.858000 961.4724       61.52360 944.1573       86.64388 979.0811       87.37576 88.17462 4.061552 89.79395 4.021996 -1.619324      5.716000 
1 1 1 -34 16 11 o 75.05107 3.017842 685.2401       54.77318 708.8030       77.49603 661.7197       77.42596 76.34740 4.195492 73.75474 4.339047 2.592659       6.035684 
1 1 1 -34 16 12 o 92.79173 2.849614 1045.143       63.79010 1162.739       92.66963 939.2407       87.94160 97.75448 3.918307 87.82898 4.138608 9.925499       5.699228 
1 1 1 -34 16 13 o 80.62683 2.961290 794.9646       57.33615 776.3831       85.93262 809.8745       76.97586 79.73097 4.454805 81.52268 3.902777 -1.791710      5.922581 
1 1 1 -34 16 14 o 25.33821 5.958600 77.69073       42.67617 78.55018       61.96731 76.91533       58.85902 25.51664 8.536221 25.15978 8.315804 0.3568668      11.91720 
1 1 1 -34 16 15 o 101.2728 2.817614 1252.804       68.92148 1358.838       99.63158 1155.499       95.44268 105.3970 3.907209 97.14856 4.060729 8.248405       5.635228 
1 1 1 -34 16 16 o 78.24054 3.075104 746.7672       57.82101 810.0667       88.13906 698.9442       76.61018 81.08000 4.493165 75.40107 4.199587 5.678932       6.150208 
1 1 1 -34 16 17 o 78.66244 3.091328 765.0930       58.72662 768.9332       85.73196 761.6980       80.60860 78.79824 4.497010 78.52663 4.242893 0.2716064      6.182656 
1 1 1 -34 16 18 o 34.54552 5.831743 160.3999       47.14240 186.7502       76.08769 143.9821       60.05909 36.61383 8.715196 32.47721 7.751276 4.136620       11.66349 
1 1 1 -34 16 19 o 29.26706 6.001552 126.1592       47.17143 79.34894       73.47083 158.9879       61.52780 24.80397 9.201094 33.73014 7.708071 -8.926178      12.00310 
1 1 1 -34 16 20 o 33.31021 7.944353 193.1175       74.41405 176.9185       140.7255 199.4051       87.67451 31.35949 12.44242 35.26094 9.881150 -3.901445      15.88871 
1 1 1 -34 18 1  o 224.7987 3.370029 6139.620       183.2818 6199.485       259.7664 6080.275       258.6365 225.8925 4.753120 223.7049 4.778726 2.187607       6.740057 
1 1 1 -34 18 2  o 174.2635 2.973107 3683.535       125.3013 3609.069       174.3000 3763.177       180.2555 172.4456 4.177757 176.0814 4.231290 -3.635818      5.946214 
1 1 1 -34 18 3  o 141.8849 2.822266 2442.821       96.86641 2466.827       136.2748 2418.304       137.7162 142.5939 3.950139 141.1758 4.032016 1.418015       5.644533 
1 1 1 -34 18 4  o 27.52445 6.135364 91.91917       45.63437 87.25954       67.03631 95.94328       62.29742 27.15084 8.869913 27.89807 8.479115 -0.7472305     12.27073 
1 1 1 -34 18 5  o 82.94350 3.026296 834.7281       60.68057 882.9071       86.93470 788.9531       84.73803 85.28060 4.213477 80.60638 4.345168 4.674217       6.052592 
1 1 1 -34 18 6  o 84.93784 2.910964 873.9186       59.59071 986.0394       86.40318 772.2068       82.29482 90.13324 3.962255 79.74243 4.265606 10.39081       5.821929 
1 1 1 -34 18 8  o 65.85844 3.518432 525.2161       55.30013 655.0635       81.58868 414.8716       75.21228 73.37817 4.595796 58.33873 5.328801 15.03944       7.036864 
1 1 1 -34 18 9  o 74.71321 3.242410 679.3744       58.43985 751.8827       84.00076 611.3608       81.35555 78.59216 4.417756 70.83426 4.747244 7.757896       6.484820 
1 1 1 -34 18 10 o 44.64989 4.796558 251.2704       49.90795 209.7942       71.35557 290.9922       69.83015 40.58517 7.544759 48.71462 5.924905 -8.129448      9.593117 
1 1 1 -34 18 11 o 79.12926 3.147244 763.4419       60.12960 780.4663       88.27897 748.7079       82.12621 79.93207 4.564928 78.32645 4.333821 1.605614       6.294487 
1 1 1 -34 18 12 o 22.90702 6.014844 48.05156       43.96815 75.96550       70.28545 30.10478       56.35701 25.79410 9.075731 20.01993 7.895853 5.774168       12.02969 
1 1 1 -34 18 13 o 32.17920 6.041192 136.5632       47.88490 125.1598       70.46649 146.3469       65.27056 30.94879 8.921517 33.40961 8.148038 -2.460821      12.08238 
1 1 1 -34 18 14 o 150.0755 4.089053 2761.452       148.4687 2761.452       148.4687 0.000000       0.000000 150.0755 4.089053 ?        ?        ?              ?        
1 1 1 -34 18 15 o 92.55374 3.070913 1049.704       68.50951 1126.177       102.4174 987.7743       92.16567 95.55196 4.430285 89.55552 4.253775 5.996445       6.141826 
1 1 1 -34 18 16 o 102.1306 4.416377 1292.438       109.1250 1292.438       109.1250 0.000000       0.000000 102.1306 4.416377 ?        ?        ?              ?        
1 1 1 -34 18 17 o 76.19758 3.504267 722.2531       64.20457 796.5357       97.64029 665.6669       85.21974 79.54610 5.073502 72.84905 4.835196 6.697052       7.008533 
1 1 1 -34 18 18 o 26.79556 6.630666 99.51588       54.99486 61.79844       81.29321 131.3432       74.67637 23.67276 9.436521 29.91835 9.317457 -6.245583      13.26133 
1 1 1 -34 18 19 o 46.98555 7.680606 338.9756       80.13038 445.9250       146.9904 293.7538       95.58163 50.28496 12.20544 43.68613 9.327061 6.598824       15.36121 
1 1 1 -34 20 1  o 112.3845 2.848641 1535.949       77.45217 1519.463       109.2219 1552.625       109.8486 111.7764 4.038846 112.9926 4.018301 -1.216225      5.697281 
1 1 1 -34 20 2  o 48.54381 4.333742 285.9540       50.50424 341.0454       74.99379 240.2323       68.31945 52.80901 5.869688 44.27861 6.377465 8.530392       8.667484 
1 1 1 -34 20 3  o 97.48102 2.904882 1154.888       68.48715 1191.019       98.29218 1120.795       95.47997 98.96226 4.105320 95.99978 4.110927 2.962479       5.809765 
1 1 1 -34 20 4  o 82.61926 3.046291 827.2321       60.63552 941.4797       88.64954 726.7916       83.12041 87.97360 4.165065 77.26493 4.446548 10.70867       6.092582 
1 1 1 -34 20 5  o 53.09968 4.012373 342.3155       51.35344 376.8750       76.68719 314.2186       69.14627 55.50805 5.710374 50.69131 5.638103 4.816738       8.024747 
1 1 1 -34 20 6  o 23.59703 6.056349 58.13292       44.31879 50.10991       69.56208 63.61464       57.49923 23.45542 8.899374 23.73863 8.216969 -0.2832050     12.11270 
1 1 1 -34 20 7  o 84.27356 3.175272 873.6787       64.15878 764.3729       92.67995 974.2641       88.90611 79.11215 4.842173 89.43497 4.108866 -10.32281      6.350545 
1 1 1 -34 20 8  o 35.92434 8.643659 143.8969       86.48992 106.9958       106.0357 217.2516       149.5019 30.91211 11.11821 40.93656 13.23770 -10.02445      17.28732 
1 1 1 -34 20 9  o 51.18593 4.270582 320.5699       52.68475 352.8866       78.72923 294.3617       70.89935 53.49800 6.082696 48.87387 5.996022 4.624130       8.541163 
1 1 1 -34 20 10 o 152.2125 4.055523 2830.047       149.3480 2830.047       149.3480 0.000000       0.000000 152.2125 4.055523 ?        ?        ?              ?        
1 1 1 -34 20 11 o 115.9183 2.883697 1643.863       80.86337 1646.287       113.5320 1641.366       115.2025 116.0156 4.044823 115.8210 4.111234 0.1946030      5.767394 
1 1 1 -34 20 12 o 50.94656 4.313679 320.0511       52.44626 401.0481       78.11526 253.5737       70.76823 56.85614 5.678794 45.03698 6.494815 11.81916       8.627358 
1 1 1 -34 20 13 o 25.59518 6.266230 68.72886       51.96426 7.607186       73.63526 129.3659       73.34273 20.08423 8.573593 31.10612 9.140900 -11.02189      12.53246 
1 1 1 -34 20 14 f 56.46821 4.402256 412.5482       58.04134 356.7287       90.91595 450.9488       75.40781 52.79687 7.117536 60.13955 5.182673 -7.342686      8.804511 
1 1 1 -34 20 15 o 20.83363 5.909243 4.485148       53.85708 -102.6593      81.54770 87.37254       71.72510 15.51772 7.455498 26.14953 9.170177 -10.63181      11.81849 
1 1 1 -34 20 16 o 24.43035 6.508650 63.82589       57.27321 -5.157793      87.72987 115.0636       75.60826 20.23387 8.980666 28.62683 9.423256 -8.392956      13.01730 
1 1 1 -34 20 17 o 26.97955 7.190604 100.4550       64.28251 122.4985       93.03916 80.32061       88.91912 28.71348 10.40229 25.24561 9.930333 3.467875       14.38121 
1 1 1 -34 20 18 o 24.89820 7.080284 86.12519       66.28928 58.76125       96.33823 110.7313       91.35458 23.18217 9.849082 26.61423 10.17434 -3.432064      14.16057 
1 1 1 -34 22 1  o 115.6915 4.096280 1634.050       114.6551 0.000000       0.000000 1634.050       114.6551 ?        ?        115.6915 4.096280 ?              ?        
1 1 1 -34 22 2  o 37.64334 5.564594 180.5358       48.64919 204.5028       74.98264 163.1126       63.93186 39.76431 8.069842 35.52238 7.663973 4.241920       11.12919 
1 1 1 -34 22 3  o 72.39338 3.474835 646.4242       60.44438 583.3983       87.61306 703.6685       83.49788 68.93768 5.253030 75.84908 4.550120 -6.911407      6.949670 
1 1 1 -34 22 4  o 124.4748 2.854875 1889.183       85.92936 1809.932       119.6045 1973.729       123.5357 121.7732 4.059698 127.1764 4.014983 -5.403252      5.709749 
1 1 1 -34 22 5  o 27.85283 5.945503 99.34705       46.64054 42.77255       72.23011 139.8056       61.08197 22.90088 8.967692 32.80477 7.808747 -9.903891      11.89101 
1 1 1 -34 22 6  o 66.60011 3.569301 543.2399       57.26869 560.0963       85.52804 529.5400       77.10553 67.49601 5.237549 65.70422 4.850539 1.791794       7.138602 
1 1 1 -34 22 7  o 30.40522 6.368274 121.7610       50.67882 94.18789       79.70459 140.4736       65.66090 28.05925 9.676531 32.75118 8.281571 -4.691925      12.73655 
1 1 1 -34 22 8  o 67.56973 3.773403 563.7250       61.43007 629.4710       87.71676 500.4428       86.05747 71.50352 5.070523 63.63594 5.589641 7.867588       7.546806 
1 1 1 -34 22 9  o 46.81968 5.048191 279.8024       55.28958 326.4427       78.89001 234.7786       77.51078 51.15826 6.373881 42.48109 7.830105 8.677166       10.09638 
1 1 1 -34 22 10 o 142.2293 2.941240 2482.850       101.1715 2453.799       140.8415 2513.822       145.4249 141.3912 4.117239 143.0674 4.201417 -1.676163      5.882480 
1 1 1 -34 22 11 o 41.61275 5.637379 226.3568       54.42252 255.4109       82.29897 203.7785       72.54976 43.99193 8.028310 39.23356 7.916211 4.758369       11.27476 
1 1 1 -34 22 12 o 68.17412 3.758237 582.9918       61.69905 544.8079       89.58870 617.4418       85.09583 65.91529 5.617781 70.43294 4.993789 -4.517647      7.516474 
1 1 1 -34 22 13 o 53.64278 4.542976 365.6357       58.70583 389.8142       88.08549 346.3140       78.74301 55.14923 6.601803 52.13634 6.242653 3.012897       9.085952 
1 1 1 -34 22 14 o 27.10149 6.131434 71.10871       58.22841 -54.49841      82.95791 193.0852       81.75020 17.40338 8.101839 36.79959 9.205332 -19.39622      12.26287 
1 1 1 -34 22 15 o 36.26756 6.845547 198.0455       61.70876 222.3092       84.90732 170.8806       89.84019 39.00819 9.154150 33.52693 10.18075 5.481255       13.69109 
1 1 1 -34 22 16 o 48.97554 6.059491 354.9886       67.66965 228.2666       94.38801 489.0060       97.06690 37.83974 10.11544 60.11134 6.674403 -22.27161      12.11898 
1 1 1 -34 24 1  o 48.97457 4.841689 301.6692       56.96231 299.7568       85.55339 303.1920       76.34459 48.72125 7.257992 49.22789 6.410099 -0.5066414     9.683378 
1 1 1 -34 24 2  o 45.66047 5.311728 269.5408       54.03472 440.0874       81.20150 134.0039       72.38880 59.54874 5.636236 31.77221 9.005036 27.77653       10.62346 
1 1 1 -34 24 3  o 98.67958 3.131230 1197.284       74.69678 1141.928       105.5413 1252.842       105.7334 96.35815 4.527222 101.0010 4.326971 -4.642868      6.262460 
1 1 1 -34 24 4  o 63.34664 3.842947 500.3225       58.50751 450.2856       84.48919 546.4246       81.09912 60.17885 5.803032 66.51443 5.039622 -6.335587      7.685894 
1 1 1 -34 24 5  o 72.28232 5.390133 647.7264       94.26141 647.7264       94.26141 0.000000       0.000000 72.28232 5.390133 ?        ?        ?              ?        
1 1 1 -34 24 6  o 64.11717 4.250633 513.9282       65.81765 478.2156       92.90546 549.9108       93.25595 61.81017 6.212680 66.42417 5.802940 -4.614002      8.501266 
1 1 1 -34 24 7  o 38.14565 5.329007 208.1199       56.30403 2.397918       82.94801 383.8957       76.67348 20.82368 8.997167 55.46761 5.713515 -34.64393      10.65801 
1 1 1 -34 24 8  o 20.40186 6.048565 1.302241       52.23564 57.35540       78.86199 -42.51324      69.72387 24.24186 9.404086 16.56186 7.609449 7.679995       12.09713 
1 1 1 -34 24 9  o 57.15022 4.250172 409.1794       58.44338 473.5377       85.99462 353.9396       79.67009 61.38428 5.790443 52.91615 6.223071 8.468136       8.500344 
1 1 1 -34 24 10 o 68.27704 3.903793 582.6511       64.23313 658.9847       94.73754 517.7047       87.38589 72.44449 5.405233 64.10958 5.633990 8.334908       7.807585 
1 1 1 -34 24 11 o 46.00393 5.608187 282.4193       61.09425 291.4224       89.14290 274.4448       83.89622 46.28841 8.263124 45.71946 7.584710 0.5689468      11.21637 
1 1 1 -34 24 12 o 42.20670 6.126524 249.4557       60.41690 258.0298       87.60737 241.6797       83.43039 42.86214 8.744390 41.55127 8.583290 1.310875       12.25305 
1 1 1 -34 24 13 o 24.48385 6.853186 66.50397       61.58797 33.36284       88.10137 98.17798       86.12920 22.16537 9.417893 26.80233 9.958309 -4.636969      13.70637 
1 1 1 -34 24 14 o 53.13673 5.595842 398.2426       70.95844 405.5824       94.06525 388.5508       108.0911 54.39340 7.147937 51.88007 8.611667 2.513325       11.19168 
1 1 1 -34 24 15 o 23.88954 6.681086 55.22096       66.32410 156.6601       92.31998 -52.97719      95.34610 30.09132 10.41210 17.68777 8.374719 12.40356       13.36217 
1 1 1 -34 26 2  o 64.16890 7.339248 574.9721       103.9403 585.2469       128.3371 555.3837       177.2008 66.92773 7.925815 61.41007 12.35474 5.517666       14.67850 
1 1 1 -34 26 3  o 45.08214 5.851675 273.0632       61.32463 279.9876       90.35290 267.1488       83.50373 45.49041 8.522739 44.67387 8.020679 0.8165436      11.70335 
1 1 1 -34 26 4  o 51.20028 5.023190 333.9782       61.62822 365.0444       95.32442 311.6682       80.78098 53.07911 7.422979 49.32145 6.769724 3.757660       10.04638 
1 1 1 -34 26 5  o 27.80762 6.238197 93.75726       57.24438 -20.97672      88.38747 176.6544       75.13020 19.83002 8.893084 35.78522 8.750628 -15.95520      12.47639 
1 1 1 -34 26 6  o 60.21857 4.709941 485.0717       65.19807 344.5756       96.79372 601.7562       88.21078 51.23513 7.808671 69.20202 5.268665 -17.96689      9.419882 
1 1 1 -34 26 7  o 38.84041 6.130568 199.2606       59.40704 318.9819       90.70132 109.3156       78.61703 49.26858 7.609241 28.41224 9.614307 20.85634       12.26114 
1 1 1 -34 26 8  o 42.03709 6.105551 245.1479       59.92647 259.4536       87.87316 232.7102       81.93568 43.15883 8.715755 40.91536 8.552579 2.243477       12.21110 
1 1 1 -34 26 9  o 28.38585 6.690320 107.7879       59.53146 33.77054       87.47897 171.6342       81.24648 22.43678 9.450736 34.33491 9.472336 -11.89813      13.38064 
1 1 1 -34 26 10 o 15.07030 5.157738 -106.9381      57.64993 -119.0667      84.85380 -96.54004      78.56725 15.09878 7.338198 15.04182 7.249820 0.5696106E-01  10.31548 
1 1 1 -34 26 11 o 36.52665 7.093943 208.9536       65.48595 173.0435       93.32613 243.7840       91.91231 33.02300 10.43610 40.03031 9.611657 -7.007309      14.18789 
1 1 1 -34 26 12 o 28.55334 7.125815 128.3479       63.73924 171.3364       89.03524 83.15576       91.28879 32.29797 10.19191 24.80872 9.961624 7.489258       14.25163 
1 1 1 -33 1  1  o 296.5493 3.975720 10622.39       284.7887 11063.10       417.3307 10238.31       389.6018 302.2890 5.706313 290.8094 5.537454 11.47958       7.951440 
1 1 1 -33 1  2  o 150.5217 2.586744 2740.155       94.16351 2692.087       130.9508 2791.622       135.5004 149.1559 3.628819 151.8875 3.687365 -2.731598      5.173489 
1 1 1 -33 1  3  o 250.7027 3.481124 7607.230       211.1412 7642.945       299.6894 7572.031       297.5200 251.2867 4.929462 250.1186 4.916634 1.168106       6.962247 
1 1 1 -33 1  4  o 207.9414 3.039187 5229.950       152.8426 5347.194       219.7932 5120.166       212.6861 210.1962 4.322023 205.6866 4.273962 4.509537       6.078374 
1 1 1 -33 1  5  o 123.2407 2.790410 1943.954       73.41834 2084.261       87.39145 1607.377       135.3539 131.2482 2.752157 115.2333 4.855015 16.01494       5.580819 
1 1 1 -33 1  7  o 143.1096 3.032012 2543.187       100.6934 2739.517       128.5928 2232.005       161.8940 150.4501 3.532823 135.7691 4.928646 14.68108       6.064024 
1 1 1 -33 1  8  o 421.7249 6.209585 21696.83       552.9594 21807.05       642.0166 21380.13       1088.242 424.1885 6.255831 419.2613 10.72848 4.927277       12.41917 
1 1 1 -33 1  9  o 147.5484 2.868692 2633.868       88.60327 2631.802       102.2489 2640.095       177.5266 147.4659 2.865923 147.6308 4.970319 -0.1648254     5.737385 
1 1 1 -33 1  10 o 302.9275 4.033232 11123.76       295.5919 11144.75       418.7150 11102.90       417.3486 303.2119 5.707816 302.6430 5.699884 0.5689697      8.066463 
1 1 1 -33 1  11 o 30.86737 3.675129 118.3792       26.06832 161.0325       38.03496 80.59372       35.79889 36.46078 4.311761 25.27396 5.952731 11.18682       7.350257 
1 1 1 -33 1  12 o 287.4552 3.871207 10004.60       268.9377 9699.246       370.0308 10346.51       391.5516 282.8217 5.407827 292.0887 5.540793 -9.266998      7.742414 
1 1 1 -33 1  13 o 221.3120 3.180672 5936.203       170.3045 5936.707       240.8470 5935.699       240.8470 221.3214 4.497959 221.3026 4.498342 0.1881409E-01  6.361345 
1 1 1 -33 1  14 o 138.4144 2.455109 2320.526       82.21295 2336.111       116.8443 2305.245       115.6975 138.8743 3.477629 137.9544 3.466459 0.9199066      4.910218 
1 1 1 -33 1  15 o 39.54321 3.093557 190.5889       29.39079 165.0741       41.61344 215.9849       41.51643 36.88232 4.663512 42.20409 4.065959 -5.321770      6.187113 
1 1 1 -33 1  16 o 36.01012 3.056345 157.7901       26.56907 147.4422       37.86262 167.8287       37.29253 34.83907 4.492022 37.18117 4.145686 -2.342102      6.112689 
1 1 1 -33 1  17 o 83.69946 2.202028 849.0462       44.56614 886.4221       64.18941 814.2623       61.92372 85.47675 3.103939 81.92218 3.124303 3.554565       4.404056 
1 1 1 -33 3  1  o 145.1531 3.118565 2474.286       101.7045 2355.018       121.5246 2753.123       185.8132 139.5018 3.600661 150.8044 5.092842 -11.30269      6.237131 
1 1 1 -33 3  2  f 113.0111 2.831444 1634.214       67.30130 1739.128       79.27590 1363.474       127.3505 119.8908 2.733083 106.1314 4.959692 13.75948       5.662888 
1 1 1 -33 3  3  o 115.7864 2.933161 1616.908       76.84840 1606.790       93.25952 1638.311       135.6427 115.2334 3.345126 116.3394 4.819114 -1.106026      5.866322 
1 1 1 -33 3  4  o 309.2197 4.765098 11477.53       305.2115 11381.63       349.7911 11783.46       624.7703 306.6397 4.714960 311.7997 8.282137 -5.159943      9.530196 
1 1 1 -33 3  5  o 418.2471 6.111880 21602.61       550.6427 22094.56       649.4769 20345.03       1038.407 427.1047 6.285314 409.3895 10.48404 17.71524       12.22376 
1 1 1 -33 3  6  o 502.9599 7.314198 30839.06       774.9602 30961.96       898.4346 30481.86       1531.716 505.4137 7.347459 500.5062 12.64930 4.907501       14.62840 
1 1 1 -33 3  7  o 515.3740 9.219159 31954.97       1137.849 29660.92       1487.234 35193.34       1767.016 493.5159 12.45593 537.2321 13.59491 -43.71625      18.43832 
1 1 1 -33 3  8  o 278.7622 5.327714 9413.682       359.3164 9413.682       359.3164 0.000000       0.000000 278.7622 5.327714 ?        ?        ?              ?        
1 1 1 -33 3  9  o 65.77719 2.732836 549.5262       37.09338 575.7477       43.08027 474.3605       72.93881 68.97571 2.581546 62.57868 4.817592 6.397030       5.465672 
1 1 1 -33 3  10 o 321.8951 4.924040 12507.57       329.5865 12443.71       378.7586 12706.72       668.8835 320.4749 4.885017 323.3153 8.551099 -2.840363      9.848081 
1 1 1 -33 3  11 o 178.7469 3.221405 3866.558       119.9728 3862.237       138.1262 3879.834       242.0953 178.6145 3.196371 178.8794 5.594015 -0.2649384     6.442810 
1 1 1 -33 3  12 o 89.54866 2.815472 1009.465       51.33116 1044.629       59.04584 900.6543       103.8657 92.90068 2.627048 86.19665 4.980577 6.704033       5.630944 
1 1 1 -33 3  13 o 115.4786 2.957078 1623.098       77.18151 1636.371       93.91418 1595.479       135.4697 116.2444 3.339312 114.7129 4.881213 1.531464       5.914156 
1 1 1 -33 3  14 o 160.9252 2.633262 3130.700       102.3945 3279.394       149.4453 2999.131       140.5765 164.5166 3.754657 157.3338 3.693077 7.182816       5.266523 
1 1 1 -33 3  15 o 151.4836 2.555428 2781.371       93.65189 2749.205       132.0104 2813.963       132.8814 150.6011 3.623079 152.3660 3.604738 -1.764938      5.110855 
1 1 1 -33 3  16 o 57.93274 2.408523 406.7313       33.70739 438.5951       48.36152 376.6283       47.00628 60.14122 3.323727 55.72426 3.486657 4.416962       4.817047 
1 1 1 -33 3  17 o 21.44987 4.280241 56.99648       23.90864 76.80864       34.00588 37.62997       33.62125 24.57847 5.810356 18.32128 6.286621 6.257198       8.560481 
1 1 1 -33 3  18 o 85.07030 3.029401 879.2575       62.35009 879.2575       62.35009 0.000000       0.000000 85.07030 3.029401 ?        ?        ?              ?        
1 1 1 -33 5  1  o 367.0712 5.488048 16487.76       427.6898 16657.88       498.6384 16014.28       831.8787 370.8799 5.557125 363.2625 9.465360 7.617371       10.97610 
1 1 1 -33 5  2  o 265.2709 4.242177 8418.846       232.1552 8325.771       265.3919 8722.189       479.1155 262.2693 4.182518 268.2726 7.381788 -6.003265      8.484354 
1 1 1 -33 5  3  o 154.1628 3.039519 2923.811       98.44222 2973.390       114.3294 2781.678       193.5793 156.7556 3.014620 151.5700 5.278899 5.185669       6.079039 
1 1 1 -33 5  4  o 210.0253 3.549626 5497.073       160.8808 5702.139       190.7148 4991.077       299.5785 217.0607 3.631624 202.9899 6.100056 14.07076       7.099252 
1 1 1 -33 5  5  o 187.3399 3.305850 4271.062       130.3231 4293.841       151.0252 4204.640       257.8941 188.3625 3.314001 186.3172 5.721186 2.045273       6.611700 
1 1 1 -33 5  6  o 198.9045 3.436860 4745.099       141.4844 4703.233       162.0661 4879.239       290.0974 197.1300 3.398108 200.6790 5.975022 -3.549011      6.873720 
1 1 1 -33 5  7  o 259.6287 4.109464 8305.002       227.8738 8466.614       267.1929 7873.885       436.4008 264.4432 4.176286 254.8141 7.078801 9.629059       8.218928 
1 1 1 -33 5  8  o 41.59763 4.327243 209.5375       43.54940 209.5375       43.54940 0.000000       0.000000 41.59763 4.327243 ?        ?        ?              ?        
1 1 1 -33 5  9  o 116.9480 2.919437 1658.780       77.32411 1663.484       94.12821 1649.019       135.5986 117.2255 3.318908 116.6704 4.803883 0.5551682      5.838873 
1 1 1 -33 5  10 o 141.4415 3.112731 2504.106       101.8380 2757.592       130.5852 2110.648       162.6918 150.9145 3.576520 131.9685 5.095574 18.94600       6.225461 
1 1 1 -33 5  11 o 89.39975 2.840399 1001.222       50.77562 1028.687       57.86028 909.2207       105.8984 92.19125 2.594111 86.60825 5.053915 5.582993       5.680798 
1 1 1 -33 5  12 o 75.03986 3.065110 682.2050       44.49387 682.1436       49.74070 682.4509       99.53107 75.06862 2.738742 75.01109 5.484423 0.5753326E-01  6.130220 
1 1 1 -33 5  13 f 115.5746 2.879122 1580.006       66.90824 1550.343       75.51919 1688.281       144.2829 113.1646 2.758319 117.9845 5.054607 -4.819923      5.758244 
1 1 1 -33 5  14 o 143.3404 2.956117 2536.621       88.95734 2584.888       103.3453 2398.572       174.7754 146.1008 2.923720 140.5800 5.138714 5.520752       5.912235 
1 1 1 -33 5  15 o 225.3277 3.749279 6245.583       178.5191 6325.528       207.7851 6020.226       348.8617 228.3887 3.760429 222.2666 6.487492 6.122162       7.498559 
1 1 1 -33 5  16 o 136.8773 2.459110 2262.563       81.23681 2430.609       120.0678 2120.689       110.3223 141.5397 3.506274 132.2148 3.448902 9.324890       4.918220 
1 1 1 -33 5  17 o 108.7579 2.306460 1398.223       59.85983 1747.338       93.50964 1155.831       77.91680 119.9598 3.221948 97.55596 3.301224 22.40380       4.612920 
1 1 1 -33 5  18 o 40.02005 2.651119 192.0962       25.43075 232.7930       38.57652 160.8164       33.82006 43.71795 3.647212 36.32215 3.848581 7.395798       5.302238 
1 1 1 -33 5  19 o 39.95284 3.626522 194.8458       35.05422 194.8458       35.05422 0.000000       0.000000 39.95284 3.626522 ?        ?        ?              ?        
1 1 1 -33 7  1  o 342.0698 4.489180 14176.82       371.4399 14368.01       532.0829 13995.09       518.7612 344.3148 6.387360 339.8247 6.309721 4.490051       8.978360 
1 1 1 -33 7  2  o 317.9567 4.219615 12242.69       324.4788 12467.08       466.5559 12032.47       451.5754 320.7734 6.011780 315.1401 5.922762 5.633301       8.439231 
1 1 1 -33 7  3  o 390.2542 5.034080 18456.85       475.1570 18166.03       662.1104 18765.66       682.2909 387.0918 7.069912 393.4165 7.168275 -6.324707      10.06816 
1 1 1 -33 7  4  o 366.2236 4.763342 16257.50       422.0367 16207.21       594.4638 16308.60       599.2652 365.6545 6.719735 366.7927 6.752990 -1.138184      9.526684 
1 1 1 -33 7  5  o 119.1400 2.403766 1717.115       69.26749 1757.684       99.40147 1678.818       96.57761 120.5071 3.409400 117.7729 3.389447 2.734192       4.807532 
1 1 1 -33 7  6  o 146.9522 3.571790 2614.045       126.9884 0.000000       0.000000 2614.045       126.9884 ?        ?        146.9522 3.571790 ?              ?        
1 1 1 -33 7  7  o 145.1792 2.519726 2550.031       88.47224 2606.025       127.2028 2497.562       123.1337 146.7215 3.583445 143.6369 3.543304 3.084564       5.039452 
1 1 1 -33 7  8  o 133.9951 3.470595 2173.611       112.5111 0.000000       0.000000 2173.611       112.5111 ?        ?        133.9951 3.470595 ?              ?        
1 1 1 -33 7  9  o 176.4184 2.760786 3767.673       117.8119 3833.752       168.7235 3704.803       164.5763 177.9267 3.919515 174.9102 3.889107 3.016449       5.521572 
1 1 1 -33 7  10 o 354.1411 4.630819 15217.64       396.6944 15431.11       567.7067 15013.96       554.5460 356.5616 6.580930 351.7205 6.516848 4.841034       9.261638 
1 1 1 -33 7  11 o 122.5879 3.027035 1756.526       82.30656 1980.964       154.3484 1667.346       97.29408 127.8323 4.990674 117.3435 3.427087 10.48882       6.054069 
1 1 1 -33 7  13 o 146.5068 3.252498 2593.672       107.0104 2578.542       129.0298 2627.008       191.5227 145.8891 3.655650 147.1244 5.380632 -1.235229      6.504996 
1 1 1 -33 7  14 o 23.21144 5.402566 65.56788       31.42140 74.09457       34.51315 24.27127       75.95417 24.20858 5.937771 22.21429 9.027390 1.994289       10.80513 
1 1 1 -33 7  15 o 90.07765 2.957033 1014.272       53.55393 1039.020       61.11628 932.4212       111.1462 92.60718 2.727784 87.54813 5.247417 5.059052       5.914067 
1 1 1 -33 7  16 o 91.38759 3.111382 1030.587       62.20298 1051.137       74.04810 981.3207       114.6530 93.07050 3.288513 89.70467 5.282847 3.365829       6.222764 
1 1 1 -33 7  17 o 55.14830 3.863667 393.9413       44.42352 418.2899       52.11281 329.2088       84.97066 58.63515 3.673535 51.66145 6.798296 6.973698       7.727334 
1 1 1 -33 7  18 o 20.87277 4.223415 49.48998       23.60499 85.34675       36.68486 24.15437       30.83663 25.79215 5.993124 15.95340 5.952429 9.838747       8.446831 
1 1 1 -33 7  19 o 94.02763 3.226084 1078.060       73.38943 1078.060       73.38943 0.000000       0.000000 94.02763 3.226084 ?        ?        ?              ?        
1 1 1 -33 7  20 o 10.47972 4.841871 -22.23425      28.79104 -22.23425      28.79104 0.000000       0.000000 10.47972 4.841871 ?        ?        ?              ?        
1 1 1 -33 9  1  o 225.2016 3.266336 6140.811       177.9379 6050.464       248.9936 6235.106       254.3771 223.5101 4.604566 226.8932 4.633982 -3.383041      6.532672 
1 1 1 -33 9  2  o 177.2964 2.841268 3786.886       121.5397 4070.395       180.2131 3550.342       164.6109 183.3512 4.062563 171.2416 3.973260 12.10965       5.682536 
1 1 1 -33 9  3  o 291.8194 5.580834 10319.24       394.0175 10319.24       394.0175 0.000000       0.000000 291.8194 5.580834 ?        ?        ?              ?        
1 1 1 -33 9  4  o 360.8226 4.708523 15771.64       410.7033 16193.83       595.5176 15388.70       567.1636 365.4121 6.736113 356.2332 6.580695 9.178955       9.417047 
1 1 1 -33 9  5  o 212.3454 3.134021 5460.272       160.9937 5501.510       229.5142 5420.327       225.8880 213.1336 4.450976 211.5573 4.413294 1.576340       6.268042 
1 1 1 -33 9  6  o 332.0002 4.379193 13355.82       351.5536 13645.98       507.5432 13088.22       487.4113 335.4561 6.253672 328.5443 6.131960 6.911774       8.758387 
1 1 1 -33 9  7  o 220.2369 3.192725 5875.530       170.1160 5878.765       241.3824 5872.337       239.7862 220.2962 4.528937 220.1776 4.501411 0.1186218      6.385450 
1 1 1 -33 9  8  o 299.9065 4.026837 10900.91       292.0825 10717.45       406.6933 11096.34       419.7500 297.3068 5.654054 302.5062 5.735273 -5.199432      8.053675 
1 1 1 -33 9  9  o 263.7517 3.636346 8431.867       232.0247 8502.710       330.4537 8362.980       325.8594 264.8427 5.157275 262.6607 5.127821 2.182007       7.272691 
1 1 1 -33 9  10 o 223.8754 3.237265 6066.985       175.2198 5896.094       242.3166 6254.264       253.6696 220.5782 4.540652 227.1725 4.615410 -6.594299      6.474529 
1 1 1 -33 9  11 o 208.4382 3.099240 5265.171       156.2880 5240.927       220.1503 5289.805       221.9094 207.9551 4.375699 208.9213 4.390265 -0.9661865     6.198481 
1 1 1 -33 9  12 o 177.9439 2.833319 3836.126       121.9627 3903.072       174.1115 3771.631       170.8960 179.4675 4.009952 176.4202 4.003881 3.047302       5.666637 
1 1 1 -33 9  13 o 119.6634 2.484432 1733.683       71.88529 1818.327       103.1719 1653.821       100.2149 122.5016 3.481109 116.8252 3.545629 5.676384       4.968864 
1 1 1 -33 9  14 o 156.7749 3.784113 2981.161       143.5300 2981.161       143.5300 0.000000       0.000000 156.7749 3.784113 ?        ?        ?              ?        
1 1 1 -33 9  15 o 164.3992 3.859802 3281.724       153.5207 0.000000       0.000000 3281.724       153.5207 ?        ?        164.3992 3.859802 ?              ?        
1 1 1 -33 9  16 o 95.65388 2.422310 1112.198       56.02392 1073.616       79.51800 1150.224       78.94469 93.99723 3.496617 97.31054 3.353210 -3.313309      4.844621 
1 1 1 -33 9  17 o 34.45021 5.224095 160.5260       36.69779 169.9588       41.78865 128.7329       76.71941 37.27912 4.633299 31.62131 9.364679 5.657816       10.44819 
1 1 1 -33 9  18 o 54.35915 3.812655 352.2819       38.57037 345.5797       42.45750 383.9381       92.27345 53.25497 3.295277 55.46332 6.876518 -2.208351      7.625310 
1 1 1 -33 9  19 o 62.65530 3.516014 525.8849       48.12414 610.4633       60.00063 373.3492       80.57719 70.65196 3.510179 54.65863 6.093279 15.99334       7.032027 
1 1 1 -33 9  20 o 27.68473 3.890564 94.39017       26.05885 0.000000       0.000000 94.39017       26.05885 ?        ?        27.68473 3.890564 ?              ?        
1 1 1 -33 11 1  o 39.84847 4.097689 191.4200       39.38763 208.2428       58.46547 177.4399       53.29758 41.44170 5.831222 38.25523 5.758565 3.186470       8.195378 
1 1 1 -33 11 2  o 109.8062 2.574055 1457.519       68.31129 1369.133       94.66672 1553.541       98.67118 106.3375 3.679666 113.2749 3.600431 -6.937325      5.148111 
1 1 1 -33 11 3  o 182.7059 2.915724 4042.631       128.8816 4081.557       182.8193 4004.174       181.7179 183.5806 4.116168 181.8312 4.130733 1.749359       5.831449 
1 1 1 -33 11 4  o 282.5156 3.862323 9648.546       263.4861 9270.718       359.3315 10087.96       387.5134 276.5592 5.370378 288.4719 5.552403 -11.91263      7.724645 
1 1 1 -33 11 5  o 162.6539 3.901997 3203.851       153.5514 3203.851       153.5514 0.000000       0.000000 162.6539 3.901997 ?        ?        ?              ?        
1 1 1 -33 11 6  o 111.3771 3.565301 1502.011       96.07142 0.000000       0.000000 1502.011       96.07142 ?        ?        111.3771 3.565301 ?              ?        
1 1 1 -33 11 7  f 109.1644 2.512025 1443.140       66.33279 1433.986       94.54079 1452.016       93.09341 108.8223 3.590866 109.5066 3.513794 -0.6843414     5.024049 
1 1 1 -33 11 8  o 289.3833 3.928513 10152.51       274.9770 10317.78       394.2687 9995.983       383.6989 291.6714 5.587225 287.0953 5.524109 4.576111       7.857027 
1 1 1 -33 11 9  o 173.3038 2.809922 3636.264       117.7810 3552.724       164.1523 3724.907       169.0924 171.2542 3.961900 175.3535 3.985724 -4.099365      5.619844 
1 1 1 -33 11 10 f 113.8911 2.529437 1570.880       69.67680 1624.341       99.14145 1518.701       97.94521 115.8072 3.538486 111.9750 3.615428 3.832115       5.058874 
1 1 1 -33 11 11 o 179.1955 2.873179 3891.580       124.5632 3905.014       176.4829 3878.244       175.8369 179.5036 4.063753 178.8874 4.062826 0.6162109      5.746359 
1 1 1 -33 11 12 o 194.4664 3.006721 4580.833       141.3809 4758.367       204.0557 4416.924       196.0691 198.0853 4.257887 190.8474 4.246397 7.237961       6.013442 
1 1 1 -33 11 13 o 18.97998 5.198040 27.39318       34.14634 36.10795       49.09864 19.22964       47.52044 19.97007 7.499168 17.98988 7.200068 1.980194       10.39608 
1 1 1 -33 11 14 o 73.92528 2.679663 663.4062       47.92233 653.9200       67.81257 672.8699       67.73233 73.39536 3.818909 74.45519 3.760094 -1.059830      5.359326 
1 1 1 -33 11 15 o 103.9837 2.465657 1312.221       61.99940 1274.815       86.05860 1352.585       89.39745 102.4462 3.472131 105.5211 3.501736 -3.074928      4.931314 
1 1 1 -33 11 16 o 100.9429 2.872319 1257.745       68.05013 1312.050       87.40807 1174.182       108.4287 103.8480 3.478973 98.03778 4.571391 5.810196       5.744638 
1 1 1 -33 11 17 o 112.7432 2.523247 1549.550       68.81946 1565.861       98.15672 1533.781       96.51487 113.3238 3.580113 112.1627 3.556669 1.161057       5.046494 
1 1 1 -33 11 19 o 15.40236 4.655726 0.5583631      31.30986 -24.63056      50.11757 16.68208       40.09754 14.53174 6.590253 16.27299 6.578124 -1.741245      9.311453 
1 1 1 -33 11 20 o 56.97265 6.250782 414.3962       86.15948 0.000000       0.000000 414.3962       86.15948 ?        ?        56.97265 6.250782 ?              ?        
1 1 1 -33 13 1  o 149.8239 3.921797 2718.823       142.1571 2718.823       142.1571 0.000000       0.000000 149.8239 3.921797 ?        ?        ?              ?        
1 1 1 -33 13 2  o 443.2451 5.677036 23889.46       608.7792 23801.18       857.7914 23979.05       864.1313 442.4243 8.013835 444.0660 8.043220 -1.641663      11.35407 
1 1 1 -33 13 3  o 27.19947 5.607479 88.89436       38.93686 110.7598       60.46870 73.40659       50.89154 29.71977 8.160649 24.67918 7.692793 5.040592       11.21496 
1 1 1 -33 13 4  o 184.2888 2.955890 4114.010       131.7867 4166.642       187.0839 4062.168       185.6733 185.4594 4.169512 183.1182 4.190981 2.341187       5.911781 
1 1 1 -33 13 5  o 468.6263 5.980132 26724.88       678.0126 26720.78       957.3563 26729.00       960.3599 468.5945 8.444504 468.6582 8.469845 -0.6378174E-01 11.96026 
1 1 1 -33 13 6  o 369.1982 4.834619 16546.90       431.6696 16849.13       621.1524 16264.60       600.3261 372.4447 6.893409 365.9516 6.780493 6.493073       9.669238 
1 1 1 -33 13 7  o 214.4692 3.203540 5572.217       166.1841 5685.337       238.2903 5465.101       231.8802 216.5859 4.547513 212.3525 4.513402 4.233429       6.407080 
1 1 1 -33 13 8  o 50.22506 3.585786 306.6469       43.37353 297.4917       63.92945 314.4554       59.04068 49.52206 5.335806 50.92807 4.791725 -1.406013      7.171572 
1 1 1 -33 13 9  o 110.9597 2.596281 1486.088       69.55435 1622.086       101.6653 1366.421       95.36607 115.7164 3.631409 106.2030 3.711546 9.513466       5.192563 
1 1 1 -33 13 10 o 103.0153 2.663498 1285.953       66.37767 1284.002       93.25299 1287.956       94.50392 102.9372 3.744451 103.0935 3.788929 -0.1562729     5.326996 
1 1 1 -33 13 11 o 23.11352 5.747252 57.20093       40.00983 48.87501       57.38792 65.07527       55.80997 22.28631 8.155017 23.94073 8.100574 -1.654417      11.49450 
1 1 1 -33 13 12 o 78.46685 2.806031 748.8602       53.00307 658.6268       74.55157 841.0867       75.37045 73.66254 4.183192 83.27116 3.741142 -9.608627      5.612062 
1 1 1 -33 13 13 o 16.91198 5.059269 -4.662376      37.20489 -35.51265      53.18857 24.89359       52.06087 14.66937 6.705124 19.15458 7.578003 -4.485211      10.11854 
1 1 1 -33 13 14 o 120.5533 2.577146 1766.052       75.16166 1740.334       105.9871 1792.072       106.6049 119.6679 3.660773 121.4386 3.628424 -1.770683      5.154292 
1 1 1 -33 13 15 o 17.96262 5.177792 15.93814       35.64917 4.851603       52.95302 25.12798       48.21106 17.37838 7.338231 18.54686 7.306742 -1.168486      10.35558 
1 1 1 -33 13 16 o 80.39500 2.694782 788.6878       52.41148 790.9322       74.59412 786.4995       73.65682 80.50449 3.829854 80.28550 3.792046 0.2189941      5.389563 
1 1 1 -33 13 17 o 52.62180 3.427332 342.7870       43.26505 325.1356       64.51336 357.2148       58.32555 51.31457 5.196449 53.92903 4.470272 -2.614456      6.854663 
1 1 1 -33 13 18 o 47.24950 3.889015 288.6026       42.69567 219.5821       64.26777 343.1304       57.12330 41.76704 6.360001 52.73197 4.477515 -10.96493      7.778030 
1 1 1 -33 13 19 o 12.89041 4.375165 -68.82996      36.89714 -53.71475      61.85072 -77.18097      45.97345 14.73818 6.905053 11.04264 5.374803 3.695538       8.750330 
1 1 1 -33 13 20 o 22.95211 6.175671 55.33255       52.85261 -52.46877      99.10326 98.17966       62.47938 19.21130 8.913663 26.69293 8.549987 -7.481634      12.35134 
1 1 1 -33 15 1  o 96.25378 2.904146 1122.410       67.60987 1130.552       96.94781 1114.701       94.33530 96.59196 4.148535 95.91561 4.065207 0.6763458      5.808291 
1 1 1 -33 15 2  o 165.1743 2.885734 3305.687       115.3188 3314.257       163.0859 3297.117       163.0849 165.3888 4.075755 164.9599 4.086328 0.4289093      5.771469 
1 1 1 -33 15 3  o 143.5937 2.773398 2497.210       96.33431 2547.481       137.6883 2449.004       134.8312 145.0088 3.924644 142.1786 3.919709 2.830139       5.546796 
1 1 1 -33 15 4  o 117.2116 2.754810 1663.242       78.08735 1599.137       108.9339 1730.998       111.9940 114.8891 3.919059 119.5342 3.872582 -4.645058      5.509620 
1 1 1 -33 15 5  o 284.0233 5.533816 9788.645       380.2603 9788.645       380.2603 0.000000       0.000000 284.0233 5.533816 ?        ?        ?              ?        
1 1 1 -33 15 6  o 143.7582 2.779620 2503.523       96.64557 2593.745       137.7260 2415.997       135.6525 146.3117 3.890761 141.2047 3.970786 5.107010       5.559241 
1 1 1 -33 15 7  o 56.19606 3.616320 382.0806       49.09736 406.0939       71.71593 360.8976       67.35718 57.85291 5.123752 54.53922 5.104729 3.313698       7.232641 
1 1 1 -33 15 8  o 136.1251 2.732747 2241.454       89.91196 2134.862       124.0116 2359.580       130.5496 132.7201 3.862098 139.5301 3.867277 -6.810043      5.465494 
1 1 1 -33 15 9  o 128.7946 2.709586 2010.781       84.42532 2031.479       120.2672 1990.673       118.5423 129.4473 3.840182 128.1419 3.823666 1.305466       5.419172 
1 1 1 -33 15 10 o 203.8581 3.133359 5044.833       154.5208 5012.619       216.5604 5078.245       220.5450 203.1995 4.405083 204.5167 4.457242 -1.317184      6.266719 
1 1 1 -33 15 11 o 229.4075 3.365394 6398.554       186.7790 6395.607       262.9317 6401.556       265.3759 229.3593 4.738320 229.4557 4.780358 -0.9642029E-01 6.730788 
1 1 1 -33 15 12 o 105.6761 3.875967 1356.711       99.09668 0.000000       0.000000 1356.711       99.09668 ?        ?        105.6761 3.875967 ?              ?        
1 1 1 -33 15 13 o 130.9812 2.706240 2086.875       85.75819 2078.777       121.2458 2094.982       121.3150 130.7257 3.833570 131.2367 3.820823 -0.5109863     5.412480 
1 1 1 -33 15 14 o 32.36637 5.181937 144.8286       41.55113 67.88699       65.44644 196.7851       53.78058 24.70243 8.750607 40.03030 5.553085 -15.32787      10.36387 
1 1 1 -33 15 15 o 127.6426 3.813681 1988.622       117.7721 0.000000       0.000000 1988.622       117.7721 ?        ?        127.6426 3.813681 ?              ?        
1 1 1 -33 15 16 o 32.88378 5.332071 149.3327       42.68587 88.77800       67.96548 188.7774       54.85408 26.77034 8.939892 38.99723 5.813971 -12.22689      10.66414 
1 1 1 -33 15 17 f 70.55978 3.104144 606.6937       52.65395 679.5212       80.16017 551.4246       69.83160 74.21860 4.464199 66.90098 4.314369 7.317619       6.208289 
1 1 1 -33 15 18 o 37.14529 5.093295 174.1868       44.37401 226.8362       70.45936 139.5781       57.12616 42.03276 6.928648 32.25782 7.467291 9.774937       10.18659 
1 1 1 -33 15 19 o 34.52705 4.990182 183.2060       46.63195 19.62105       71.82554 302.4010       61.31070 20.15047 8.529660 48.90363 5.181946 -28.75315      9.980364 
1 1 1 -33 15 20 o 23.14505 6.897779 47.98254       65.28613 -9.947651      121.7953 71.33849       77.33511 22.32650 10.18225 23.96360 9.308024 -1.637106      13.79556 
1 1 1 -33 17 1  o 63.73609 3.536816 493.5344       54.48859 475.2542       77.66219 511.2570       76.46868 62.56701 5.130527 64.90517 4.869698 -2.338158      7.073631 
1 1 1 -33 17 2  o 156.3672 2.873135 2961.466       108.6321 3101.457       156.1553 2830.182       151.2214 159.9471 4.035321 152.7874 4.090942 7.159653       5.746271 
1 1 1 -33 17 3  o 54.51003 3.916832 361.0262       51.63733 354.0911       73.50503 367.7836       72.55663 53.98946 5.627374 55.03060 5.449674 -1.041142      7.833663 
1 1 1 -33 17 4  o 32.59798 5.866374 132.2025       46.26414 158.9059       70.35139 111.8550       61.41087 35.37545 8.353516 29.82050 8.238699 5.554956       11.73275 
1 1 1 -33 17 5  o 153.6662 2.841584 2863.133       105.6412 2872.650       149.1173 2853.543       149.6829 153.9238 4.004237 153.4086 4.032926 0.5152893      5.683168 
1 1 1 -33 17 6  o 139.8585 2.779691 2365.206       93.92235 2221.984       129.0073 2526.738       137.0057 135.3654 3.939167 144.3516 3.922969 -8.986191      5.559381 
1 1 1 -33 17 7  o 26.83018 6.227529 85.69458       51.74926 -21.89173      96.80248 128.7435       61.23347 21.83185 9.571427 31.82852 7.969708 -9.996672      12.45506 
1 1 1 -33 17 8  o 95.41340 2.892855 1104.340       66.74201 1087.304       92.59138 1122.766       96.29229 94.65157 4.043341 96.17522 4.138338 -1.523651      5.785711 
1 1 1 -33 17 9  o 165.3863 2.872678 3320.073       114.8993 3275.029       159.8550 3368.216       165.2644 164.2324 4.023140 166.5403 4.101642 -2.307892      5.745357 
1 1 1 -33 17 10 o 187.7566 3.036893 4286.644       137.9453 4341.451       195.3950 4232.185       194.7746 188.9577 4.274118 186.5554 4.315412 2.402328       6.073785 
1 1 1 -33 17 11 o 156.6802 2.852197 2984.800       108.0798 3089.416       155.0164 2885.839       150.7679 159.3528 4.020830 154.0075 4.046361 5.345306       5.704394 
1 1 1 -33 17 12 o 97.83927 2.792062 1165.343       65.91698 1175.395       96.97961 1156.712       89.86749 98.20802 4.081606 97.47052 3.810896 0.7375031      5.584124 
1 1 1 -33 17 13 o 120.1632 3.925782 1761.518       114.1301 1761.518       114.1301 0.000000       0.000000 120.1632 3.925782 ?        ?        ?              ?        
1 1 1 -33 17 14 o 29.98599 5.775982 103.5586       44.37604 183.1456       72.62659 56.14348       56.05740 37.39779 8.248443 22.57420 8.087710 14.82359       11.55196 
1 1 1 -33 17 15 o 40.81792 5.418255 235.7656       49.98063 129.4807       76.79041 313.8856       65.83427 31.29879 9.391858 50.33704 5.405827 -19.03825      10.83651 
1 1 1 -33 17 16 o 49.37033 4.441928 310.5225       51.57996 289.4691       81.42792 324.6313       66.65893 47.70230 7.055562 51.03836 5.398328 -3.336060      8.883857 
1 1 1 -33 17 17 o 26.23764 6.051322 69.21700       47.38606 158.0673       77.16827 15.43410       60.03873 33.72068 9.202243 18.75459 7.860836 14.96610       12.10264 
1 1 1 -33 17 18 o 94.86806 4.118047 1120.116       94.51780 0.000000       0.000000 1120.116       94.51780 ?        ?        94.86806 4.118047 ?              ?        
1 1 1 -33 17 19 o 25.74815 6.355922 92.49445       51.45675 47.40131       78.40370 126.6144       68.20020 22.18872 9.111795 29.30758 8.863754 -7.118862      12.71184 
1 1 1 -33 17 20 o 19.93600 9.523038 -65.59191      128.9005 -65.59191      128.9005 0.000000       0.000000 19.93600 9.523038 ?        ?        ?              ?        
1 1 1 -33 19 1  o 83.37547 3.003176 844.0487       60.50292 838.4579       83.37381 850.2681       87.93651 83.09181 4.147335 83.65912 4.344638 -0.5673065     6.006352 
1 1 1 -33 19 2  o 189.3319 3.073583 4354.343       140.7725 4352.969       197.5302 4355.760       200.6718 189.3076 4.312837 189.3561 4.380307 -0.4849243E-01 6.147166 
1 1 1 -33 19 3  o 80.90889 3.050082 795.3589       59.49061 886.0952       85.20785 709.0631       83.09673 85.42668 4.122719 76.39110 4.496130 9.035583       6.100164 
1 1 1 -33 19 4  o 97.46408 2.858695 1152.943       67.38944 1192.228       96.22355 1115.125       94.40850 99.09554 4.013516 95.83262 4.071885 3.262917       5.717391 
1 1 1 -33 19 5  o 94.60287 2.887650 1087.050       66.06538 1125.852       93.63747 1048.588       93.22503 96.28992 4.019449 92.91581 4.147062 3.374115       5.775301 
1 1 1 -33 19 6  o 129.4047 2.775952 2033.189       86.89703 2003.764       121.6685 2063.827       124.1510 128.4506 3.915070 130.3587 3.936477 -1.908127      5.551903 
1 1 1 -33 19 7  o 124.2884 2.796883 1876.459       84.08356 1822.851       117.8047 1932.132       120.0513 122.4766 3.975641 126.1003 3.935035 -3.623657      5.593767 
1 1 1 -33 19 8  o 154.6039 2.870755 2907.144       107.3758 2923.072       152.5529 2891.506       151.1613 155.0220 4.067477 154.1858 4.052229 0.8361664      5.741509 
1 1 1 -33 19 9  o 186.6582 4.322946 4245.501       195.2222 0.000000       0.000000 4245.501       195.2222 ?        ?        186.6582 4.322946 ?              ?        
1 1 1 -33 19 10 o 120.1129 2.807392 1757.099       81.55527 1820.967       116.6745 1696.078       114.0436 122.2518 3.944742 117.9741 3.995599 4.277702       5.614784 
1 1 1 -33 19 11 o 26.11732 6.037348 73.83303       45.71239 127.2125       70.34848 34.82224       60.13951 31.31976 8.877370 20.91490 8.184779 10.40486       12.07470 
1 1 1 -33 19 12 o 105.1170 4.001967 1350.378       101.7768 0.000000       0.000000 1350.378       101.7768 ?        ?        105.1170 4.001967 ?              ?        
1 1 1 -33 19 13 o 33.53833 6.234519 145.1741       53.12562 209.1801       78.47961 91.03526       72.17738 39.85768 8.403192 27.21897 9.212126 12.63871       12.46904 
1 1 1 -33 19 14 o 95.53773 3.025882 1114.960       69.69347 1237.338       103.6407 1013.943       94.16257 100.2925 4.271293 90.78294 4.287180 9.509583       6.051765 
1 1 1 -33 19 15 o 24.66896 5.882550 50.29758       52.31369 -59.83538      76.88533 145.2388       71.38586 16.68831 7.779210 32.64961 8.826180 -15.96129      11.76510 
1 1 1 -33 19 16 o 33.10053 6.243007 138.7183       56.16500 253.4829       86.03034 53.46979       74.14656 43.01984 8.566764 23.18122 9.083563 19.83862       12.48601 
1 1 1 -33 19 17 o 49.36541 5.354490 324.5069       61.75616 398.6480       92.22669 264.2416       83.14971 55.05759 6.923682 43.67323 8.169755 11.38436       10.70898 
1 1 1 -33 19 18 o 61.43571 4.440516 500.3059       65.99404 498.4776       92.56477 502.1958       94.11386 61.35949 6.235363 61.51193 6.324001 -0.1524391     8.881032 
1 1 1 -33 19 19 o 33.75281 8.423181 221.1041       84.85178 221.4158       144.4585 220.9399       104.8443 32.58641 12.70372 34.91920 11.06415 -2.332783      16.84636 
1 1 1 -33 21 1  o 33.59898 5.930016 144.3152       47.68514 157.7409       73.02313 134.3337       62.96352 34.91483 8.681459 32.28315 8.080385 2.631680       11.86003 
1 1 1 -33 21 2  o 79.28822 3.205778 768.6295       61.31715 730.2809       88.67567 803.7653       84.87991 77.35897 4.737961 81.21748 4.319695 -3.858513      6.411555 
1 1 1 -33 21 3  o 25.45053 6.205665 68.33373       46.59057 103.5486       72.62902 43.70969       60.73330 28.96398 9.212104 21.93709 8.317348 7.026890       12.41133 
1 1 1 -33 21 4  o 144.5352 2.863569 2543.656       100.1320 2542.700       141.1024 2544.627       142.1191 144.5110 4.035813 144.5593 4.063536 -0.4832458E-01 5.727139 
1 1 1 -33 21 5  o 112.3929 2.862187 1530.554       77.50708 1741.110       113.8309 1348.559       105.8291 119.5830 3.934489 105.2028 4.157914 14.38015       5.724374 
1 1 1 -33 21 6  o 118.8883 2.788371 1721.388       80.19117 1745.296       114.6329 1698.476       112.2205 119.6933 3.958557 118.0833 3.928088 1.610039       5.576742 
1 1 1 -33 21 7  o 74.37175 3.293493 676.7504       58.68468 672.3850       89.25888 680.0742       77.88441 74.10444 4.978573 74.63907 4.313025 -0.5346298     6.586986 
1 1 1 -33 21 8  o 64.40734 6.335356 528.1133       95.43485 542.6532       121.6248 504.8186       153.9473 65.94265 7.623486 62.87203 10.12074 3.070621       12.67071 
1 1 1 -33 21 9  o 67.60380 3.561008 560.3138       58.18898 589.2656       84.44096 534.1329       80.29852 69.26307 5.039055 65.94453 5.032994 3.318542       7.122016 
1 1 1 -33 21 10 o 55.75488 4.164003 390.2890       55.18701 314.1729       79.10176 462.4737       77.03184 50.24094 6.507679 61.26882 5.196710 -11.02788      8.328006 
1 1 1 -33 21 11 o 48.91286 4.514478 298.0009       53.36273 314.0070       77.70844 283.7177       73.40767 50.14811 6.404886 47.67761 6.363919 2.470501       9.028955 
1 1 1 -33 21 12 o 35.61056 6.082237 169.6383       51.61719 170.9233       77.09985 168.5944       69.48762 35.63176 8.954323 35.58936 8.233745 0.4239273E-01  12.16447 
1 1 1 -33 21 13 o 61.39995 3.957248 466.4512       58.42818 521.9119       88.77838 424.0731       77.60419 64.55136 5.684595 58.24854 5.506782 6.302822       7.914497 
1 1 1 -33 21 14 o 24.17474 6.565897 61.42552       53.28756 69.46844       83.08987 55.80635       69.45086 25.24268 9.690515 23.10680 8.862165 2.135880       13.13179 
1 1 1 -33 21 15 o 30.91948 6.666224 129.1888       56.41213 190.4959       84.60965 80.12531       75.69094 36.44049 9.499645 25.39847 9.354728 11.04203       13.33245 
1 1 1 -33 21 16 o 16.89202 5.628647 -72.36746      60.23510 -112.2216      84.35204 -30.89867      86.04375 15.24799 7.388754 18.53604 8.493114 -3.288048      11.25729 
1 1 1 -33 21 17 o 47.43781 6.191357 332.7061       68.96822 388.7278       98.03791 277.8175       97.04131 52.60141 7.703612 42.27420 9.694636 10.32720       12.38271 
1 1 1 -33 23 1  o 51.73901 4.429267 335.1078       54.87803 296.6702       80.14265 369.0423       75.30184 48.80846 6.786820 54.66957 5.693216 -5.861111      8.858535 
1 1 1 -33 23 2  o 104.3057 4.222289 1330.839       106.5512 0.000000       0.000000 1330.839       106.5512 ?        ?        104.3057 4.222289 ?              ?        
1 1 1 -33 23 3  o 51.83862 4.448588 342.2039       54.18050 268.5651       80.16531 404.1265       73.51189 46.38132 7.143993 57.29592 5.303122 -10.91460      8.897176 
1 1 1 -33 23 4  f 145.8820 2.910127 2601.463       102.6931 2641.142       146.9069 2563.545       143.6093 146.9634 4.131717 144.8006 4.099302 2.162781       5.820254 
1 1 1 -33 23 5  o 22.58326 6.030703 21.85359       48.61340 103.9993       77.61621 -31.17324      62.36024 28.89421 9.549316 16.27230 7.368044 12.62190       12.06141 
1 1 1 -33 23 6  o 20.90786 6.034985 8.372269       49.60666 65.03864       77.96597 -30.17132      64.30110 25.20506 9.452922 16.61066 7.505093 8.594400       12.06997 
1 1 1 -33 23 7  o 73.04515 3.517559 654.2344       61.78672 684.2443       93.45045 630.9269       82.35646 74.46899 5.186849 71.62131 4.752839 2.847679       7.035118 
1 1 1 -33 23 8  o 35.28351 5.983147 168.7168       53.60162 95.91325       80.16062 227.5962       72.08855 28.02833 9.701988 42.53869 7.004544 -14.51036      11.96629 
1 1 1 -33 23 9  o 49.02662 4.825876 299.7042       56.78743 357.8289       84.83494 252.5154       76.43882 53.35970 6.571418 44.69355 7.069144 8.666145       9.651752 
1 1 1 -33 23 10 o 32.91818 6.477308 147.6231       53.49097 135.6484       80.43489 157.1181       71.62462 31.71261 9.633846 34.12376 8.660894 -2.411146      12.95462 
1 1 1 -33 23 11 o 44.83958 5.415168 263.6738       57.12391 255.7790       84.34944 270.3622       77.63806 43.69197 8.282674 45.98721 6.978072 -2.295238      10.83034 
1 1 1 -33 23 12 o 24.14773 6.272562 51.28785       55.90420 -41.83586      84.81106 122.8374       74.34056 18.38487 8.426867 29.91060 9.293441 -11.52573      12.54512 
1 1 1 -33 23 13 o 141.4567 4.287186 2492.164       146.7229 2492.164       146.7229 0.000000       0.000000 141.4567 4.287186 ?        ?        ?              ?        
1 1 1 -33 23 14 o 50.54585 5.240350 346.3843       61.89050 292.2786       87.13026 401.4852       87.92795 45.79023 8.164298 55.30146 6.571856 -9.511227      10.48070 
1 1 1 -33 23 15 o 21.93114 6.562774 21.95780       65.00964 90.14897       88.98552 -56.09742      95.20423 25.73673 9.987946 18.12554 8.515924 7.611195       13.12555 
1 1 1 -33 23 16 o 78.20494 4.028164 799.2967       75.33160 691.6336       98.01515 954.6763       117.7489 72.00794 5.626140 84.40194 5.766366 -12.39400      8.056329 
1 1 1 -33 25 1  o 27.19921 6.647930 91.79704       54.23861 63.15331       82.38414 113.7107       72.05862 25.05555 9.641822 29.34286 9.155062 -4.287317      13.29586 
1 1 1 -33 25 2  o 50.53788 4.774116 317.5328       57.78061 388.1779       87.52065 262.9526       76.92849 55.51600 6.516134 45.55977 6.979164 9.956230       9.548232 
1 1 1 -33 25 3  o 62.87738 4.036179 489.6384       61.15065 552.7713       90.81190 437.2625       82.71436 66.58148 5.637506 59.17328 5.777673 7.408203       8.072358 
1 1 1 -33 25 4  o 39.09800 6.108115 209.1121       57.29447 154.4307       86.67728 251.5442       76.35415 33.68371 9.948225 44.51229 7.090068 -10.82858      12.21623 
1 1 1 -33 25 5  o 100.0593 3.197463 1234.897       77.04518 1251.217       114.9142 1221.570       103.8418 100.5663 4.723011 99.55221 4.311409 1.014107       6.394926 
1 1 1 -33 25 6  o 38.34928 6.702494 232.1060       65.92078 74.27721       125.6678 292.0224       77.42896 28.69576 11.62945 48.00281 6.667062 -19.30705      13.40499 
1 1 1 -33 25 7  o 57.81001 4.423965 423.6504       61.48933 409.4435       91.18903 435.4962       83.26790 56.76163 6.640265 58.85839 5.847455 -2.096760      8.847929 
1 1 1 -33 25 8  o 60.61299 4.275463 467.0612       61.98330 445.8982       93.61560 483.5805       82.70928 59.15965 6.540641 62.06633 5.508025 -2.906673      8.550925 
1 1 1 -33 25 9  o 44.59129 5.732154 264.3460       60.42434 296.2419       88.36875 236.3381       82.80789 47.59972 7.673474 41.58286 8.517520 6.016865       11.46431 
1 1 1 -33 25 10 o 40.69320 6.176661 229.9935       58.77533 233.5541       87.50213 227.0663       79.33802 40.77039 9.101430 40.61602 8.352757 0.1543694      12.35332 
1 1 1 -33 25 11 o 87.71181 4.979971 971.9623       105.6786 0.000000       0.000000 971.9623       105.6786 ?        ?        87.71181 4.979971 ?              ?        
1 1 1 -33 25 12 o 39.94336 7.130507 242.2207       68.95720 231.4111       97.11623 253.2120       97.92927 38.92649 10.19202 40.96023 9.974928 -2.033745      14.26101 
1 1 1 -33 25 13 o 37.02738 6.218281 197.1000       64.88380 61.19431       88.03786 358.6898       95.99699 23.47780 9.649939 50.57696 7.845174 -27.09916      12.43656 
1 1 1 -33 25 14 o 48.57373 6.336909 361.3681       72.09406 362.3362       95.98729 360.1152       109.1983 49.87066 7.955478 47.27679 9.865902 2.593872       12.67382 
1 1 1 -33 27 6  o 29.93270 8.549417 95.11191       104.9332 182.3914       133.1722 -47.81678      170.4186 34.59664 12.45819 25.26875 11.71168 9.327885       17.09883 
1 1 1 -33 27 7  o 29.39893 8.683432 86.70320       99.63258 48.23320       124.6020 154.9078       165.9093 25.86015 11.09885 32.93770 13.35752 -7.077549      17.36686 
1 1 1 -33 27 8  o 25.16920 7.780454 -7.662418      105.3785 123.7359       125.2255 -326.4724      195.0580 29.85360 11.77126 20.48480 10.17739 9.368795       15.56091 
1 1 1 -33 27 9  o 29.80576 8.853911 119.0107       105.0762 113.2778       130.7906 129.4468       176.4652 28.86776 11.80155 30.74376 13.20191 -1.875999      17.70782 
1 1 1 -33 27 10 o 64.12585 8.459256 704.0429       123.0888 816.5378       161.7339 549.1969       189.7513 74.81135 8.935756 53.44034 14.36622 21.37101       16.91851 
1 1 1 -33 27 11 o 35.10894 9.607020 259.2342       114.4192 245.0922       144.8634 282.6889       186.5600 34.93886 12.92803 35.27903 14.21427 -0.3401642     19.21404 
1 1 1 -32 0  1  o 433.4744 5.536244 22766.60       820.4958 22766.60       820.4958 22766.60       820.4958 433.4744 7.829431 433.4744 7.829431 0.000000       0.000000 
1 1 1 -32 0  2  o 289.5830 3.896286 10158.23       385.7326 10158.23       385.7326 10158.23       385.7326 289.5830 5.510180 289.5830 5.510180 0.000000       0.000000 
1 1 1 -32 0  3  o 272.6692 3.712385 9006.242       346.0534 9006.242       346.0534 9006.242       346.0534 272.6692 5.250106 272.6692 5.250106 0.000000       0.000000 
1 1 1 -32 0  4  o 631.8575 7.863139 48402.54       1698.748 48402.54       1698.748 48402.54       1698.748 631.8575 11.12016 631.8575 11.12016 0.000000       0.000000 
1 1 1 -32 0  5  o 279.3588 3.797076 9454.204       362.6326 9454.204       362.6326 9454.204       362.6326 279.3588 5.369877 279.3588 5.369877 0.000000       0.000000 
1 1 1 -32 0  6  f 589.1506 7.355382 42091.87       1481.643 42091.87       1481.643 42091.87       1481.643 589.1506 10.40208 589.1506 10.40208 0.000000       0.000000 
1 1 1 -32 0  7  o 174.6874 2.725640 3697.791       162.7308 3697.791       162.7308 3697.791       162.7308 174.6874 3.854637 174.6874 3.854637 0.000000       0.000000 
1 1 1 -32 0  8  o 23.29159 4.637362 79.46042       31.99495 79.46042       31.99495 79.46042       31.99495 23.29159 6.558220 23.29159 6.558220 0.000000       0.000000 
1 1 1 -32 0  9  o 492.6821 6.217100 29450.28       1047.273 29450.28       1047.273 29450.28       1047.273 492.6821 8.792307 492.6821 8.792307 0.000000       0.000000 
1 1 1 -32 0  10 o 199.7650 2.954880 4836.271       201.7658 4836.271       201.7658 4836.271       201.7658 199.7650 4.178832 199.7650 4.178832 0.000000       0.000000 
1 1 1 -32 0  11 o 387.3167 4.993796 18196.97       661.2850 18196.97       661.2850 18196.97       661.2850 387.3167 7.062294 387.3167 7.062294 0.000000       0.000000 
1 1 1 -32 0  12 o 264.1730 3.623179 8460.417       327.2102 8460.417       327.2102 8460.417       327.2102 264.1730 5.123949 264.1730 5.123949 0.000000       0.000000 
1 1 1 -32 0  13 o 325.9505 4.299330 12886.96       479.1029 12886.96       479.1029 12886.96       479.1029 325.9505 6.080170 325.9505 6.080170 0.000000       0.000000 
1 1 1 -32 0  14 o 53.25869 2.592740 348.2193       46.73199 348.2193       46.73199 348.2193       46.73199 53.25869 3.666688 53.25869 3.666688 0.000000       0.000000 
1 1 1 -32 0  15 f ?        ?        -110.9597      28.70919 -110.9597      28.70919 -110.9597      28.70919 ?        ?        ?        ?        0.000000       0.000000 
1 1 1 -32 0  16 o 49.33500 2.422893 299.0036       40.44536 299.0036       40.44536 299.0036       40.44536 49.33500 3.426487 49.33500 3.426487 0.000000       0.000000 
1 1 1 -32 0  17 o 51.20791 2.333363 321.6315       40.49309 321.6315       40.49309 321.6315       40.49309 51.20791 3.299873 51.20791 3.299873 0.000000       0.000000 
1 1 1 -32 2  1  o 584.7090 8.439184 41452.35       1032.233 41417.16       1190.953 41558.60       2069.518 584.6729 8.419364 584.7450 14.62852 -0.7208252E-01 16.87837 
1 1 1 -32 2  2  o 456.5516 6.584052 25904.25       656.9329 26829.98       784.7310 23735.87       1201.013 470.7177 6.890614 442.3855 11.22134 28.33221       13.16810 
1 1 1 -32 2  3  o 321.4528 4.899595 12486.38       329.1921 12460.87       379.4879 12563.95       661.6928 320.8710 4.888382 322.0346 8.492812 -1.163605      9.799191 
1 1 1 -32 2  4  o 324.8532 4.907013 12977.64       341.7434 13216.16       401.4431 12349.79       651.3124 330.4417 5.021424 319.2647 8.432107 11.17700       9.814027 
1 1 1 -32 2  5  o 453.6619 8.141444 24938.03       893.5854 24938.03       893.5854 0.000000       0.000000 453.6619 8.141444 ?        ?        ?              ?        
1 1 1 -32 2  6  o 322.2393 5.185483 12688.51       385.6436 12949.29       480.9482 12218.92       645.3873 326.9976 6.079270 317.4809 8.402345 9.516663       10.37097 
1 1 1 -32 2  7  o 193.0565 3.340509 4466.264       133.8081 4423.544       153.4232 4602.022       273.5027 191.1879 3.316869 194.9250 5.799516 -3.737106      6.681018 
1 1 1 -32 2  8  o 131.2388 2.875633 2039.307       85.12815 1963.260       102.2953 2210.589       153.5212 127.3633 3.319776 135.1142 4.696398 -7.750900      5.751266 
1 1 1 -32 2  9  o 175.2455 3.140801 3773.068       116.7382 3833.427       136.2235 3606.187       226.5085 177.9679 3.163794 172.5231 5.426687 5.444733       6.281602 
1 1 1 -32 2  10 o 152.7879 2.931414 2842.305       93.99693 2858.040       108.7876 2795.955       186.7158 153.6676 2.926138 151.9081 5.080400 1.759583       5.862828 
1 1 1 -32 2  11 o 320.3311 4.900505 12418.70       327.2604 12383.04       376.7657 12528.26       660.4571 319.6751 4.871472 320.9870 8.504619 -1.311920      9.801009 
1 1 1 -32 2  12 o 266.5975 3.646774 8613.480       235.1653 8741.464       336.8709 8491.825       328.4373 268.5254 5.185323 264.6696 5.129158 3.855865       7.293548 
1 1 1 -32 2  13 o 90.76958 2.263244 982.4890       49.20492 1202.566       74.44801 811.7850       65.56742 99.66153 3.087616 81.87762 3.309944 17.78391       4.526488 
1 1 1 -32 2  14 o 119.6877 2.344368 1732.266       67.83154 1806.461       98.31422 1664.861       93.70802 122.1293 3.327317 117.2461 3.303514 4.883224       4.688735 
1 1 1 -32 2  15 o 219.7950 3.165568 5858.841       168.3070 5772.214       235.4567 5949.350       240.6732 218.1363 4.461500 221.4538 4.492026 -3.317520      6.331136 
1 1 1 -32 2  16 o 35.63581 3.078687 155.6259       26.00387 118.3575       36.33289 194.7653       37.23372 31.20625 4.812336 40.06537 3.841183 -8.859119      6.157375 
1 1 1 -32 2  17 o 149.7331 3.555047 2722.262       128.7851 2722.262       128.7851 0.000000       0.000000 149.7331 3.555047 ?        ?        ?              ?        
1 1 1 -32 4  1  o 490.5305 7.219365 28675.68       722.8198 28245.09       821.7006 30148.72       1519.816 482.8905 7.033357 498.1706 12.60987 -15.28009      14.43873 
1 1 1 -32 4  2  o 126.5244 3.002149 1853.918       84.91065 1731.701       100.6961 2154.670       157.9610 119.6283 3.479176 133.4206 4.893560 -13.79230      6.004298 
1 1 1 -32 4  3  o 274.0457 4.299860 9129.619       248.1425 9167.359       287.5817 9019.631       490.9392 275.2222 4.318922 272.8692 7.436538 2.352966       8.599720 
1 1 1 -32 4  4  o 223.4616 3.674991 6236.139       178.3086 6501.348       212.4946 5604.997       327.8061 231.7833 3.789339 215.1400 6.297868 16.64330       7.349982 
1 1 1 -32 4  5  o 308.0876 4.740649 11455.52       304.6553 11414.62       350.7311 11581.20       614.8904 307.0775 4.720892 309.0977 8.222420 -2.020233      9.481298 
1 1 1 -32 4  6  o 169.6568 3.108657 3483.079       127.5987 3483.079       127.5987 0.000000       0.000000 169.6568 3.108657 ?        ?        ?              ?        
1 1 1 -32 4  7  o 77.40561 3.437664 718.6393       62.61647 978.4652       93.86368 510.2915       84.05254 89.90133 4.315481 64.90988 5.352266 24.99145       6.875328 
1 1 1 -32 4  8  o 129.5130 3.329055 2030.193       104.3126 2030.193       104.3126 0.000000       0.000000 129.5130 3.329055 ?        ?        ?              ?        
1 1 1 -32 4  9  o 315.5871 4.828673 12093.80       319.5901 12107.72       369.3755 12052.35       637.3994 316.1588 4.829036 315.0153 8.363298 1.143524       9.657347 
1 1 1 -32 4  10 o 59.89492 2.987318 451.4324       34.81523 463.8184       39.28156 406.0678       75.17662 61.90693 2.622691 57.88292 5.368217 4.024006       5.974636 
1 1 1 -32 4  11 o 44.74565 4.648387 306.8757       38.59479 374.5253       45.95355 144.9137       71.10380 55.61799 3.415085 33.87331 8.646803 21.74468       9.296774 
1 1 1 -32 4  12 o 201.0765 3.460709 5038.156       149.0920 5208.630       175.8322 4602.022       281.2413 207.3970 3.504240 194.7561 5.968781 12.64084       6.921419 
1 1 1 -32 4  13 o 164.4631 3.133382 3311.350       107.5207 3344.502       124.2291 3212.374       214.6533 166.1999 3.089517 162.7264 5.452268 3.473465       6.266765 
1 1 1 -32 4  14 o 31.04527 4.602757 94.30963       28.90443 71.88363       32.32747 183.7002       64.54188 23.85725 5.682086 38.23328 7.242608 -14.37604      9.205513 
1 1 1 -32 4  15 o 269.3417 3.687913 8810.337       240.2774 8918.395       343.6638 8707.001       336.0705 270.9511 5.242526 267.7323 5.188327 3.218842       7.375826 
1 1 1 -32 4  16 o 85.08781 2.226629 877.7153       45.80139 832.2964       64.36382 924.3076       65.18998 82.85418 3.210887 87.32146 3.085727 -4.467278      4.453259 
1 1 1 -32 4  17 o 115.9415 3.267258 1631.733       91.64835 1631.733       91.64835 0.000000       0.000000 115.9415 3.267258 ?        ?        ?              ?        
1 1 1 -32 4  18 o 60.13377 3.110840 439.4465       45.25832 439.4465       45.25832 0.000000       0.000000 60.13377 3.110840 ?        ?        ?              ?        
1 1 1 -32 6  1  o 391.6979 5.877791 18367.00       473.5059 18156.91       540.5292 19060.08       981.7592 387.1932 5.770176 396.2027 10.24201 -9.009491      11.75558 
1 1 1 -32 6  2  o 309.7058 4.784746 11546.25       307.7263 11476.09       353.2929 11766.81       626.4246 307.8904 4.742818 311.5212 8.311488 -3.630829      9.569491 
1 1 1 -32 6  3  o 373.4023 5.914554 17021.67       508.4934 17290.91       631.6496 16525.88       857.1439 377.7661 6.911160 369.0384 9.600190 8.727661       11.82911 
1 1 1 -32 6  4  o 408.3255 5.235611 20197.81       517.0101 20563.79       744.1075 19856.23       718.8707 411.8929 7.467049 404.7581 7.340960 7.134827       10.47122 
1 1 1 -32 6  5  o 224.8471 3.227854 6119.111       175.5570 6195.966       251.3038 6045.853       245.3532 226.2247 4.591525 223.4695 4.538069 2.755127       6.455708 
1 1 1 -32 6  6  o 333.3394 4.378545 13457.92       352.9974 13692.19       507.2850 13237.99       491.5159 336.1465 6.237653 330.5323 6.146408 5.614166       8.757091 
1 1 1 -32 6  7  o 188.0129 2.858121 4275.605       129.9362 4397.154       187.6192 4163.573       180.1249 190.5774 4.069149 185.4485 4.014655 5.128876       5.716242 
1 1 1 -32 6  8  o 419.1071 7.608397 21232.22       767.2629 20000.00       1022.560 22819.75       1160.660 405.3753 10.42627 432.8390 11.08349 -27.46375      15.21679 
1 1 1 -32 6  9  o 102.0443 2.855334 1227.528       64.99702 1346.817       119.9598 1177.955       77.33206 105.4417 4.702415 98.64682 3.240218 6.794930       5.710667 
1 1 1 -32 6  10 o 25.84726 5.227969 73.95589       31.99132 59.51717       37.82061 110.2677       59.97747 22.03701 6.586311 29.65750 8.120784 -7.620487      10.45594 
1 1 1 -32 6  11 o 200.0430 3.690363 4764.376       164.4082 4634.663       195.9192 5073.171       302.2879 195.6031 4.139986 204.4828 6.110288 -8.879715      7.380725 
1 1 1 -32 6  12 o 178.7303 3.302977 3738.690       118.6524 3638.036       133.6557 4113.028       257.7538 173.3411 3.187011 184.1194 5.786329 -10.77837      6.605955 
1 1 1 -32 6  13 o 37.42950 4.845430 167.9183       33.21601 164.6901       36.60163 182.9863       79.07622 36.86573 4.103697 37.99326 8.779091 -1.127529      9.690860 
1 1 1 -32 6  14 o 96.00082 2.819307 1107.142       55.20148 1098.676       62.84011 1135.753       115.5214 95.25604 2.726730 96.74561 4.935476 -1.489563      5.638615 
1 1 1 -32 6  15 f 247.6071 4.023958 7434.420       207.2757 7410.080       238.3979 7509.816       419.5725 247.1458 3.987006 248.0684 6.990904 -0.9226227     8.047916 
1 1 1 -32 6  16 o 155.2306 3.041905 2946.529       98.44319 2964.507       113.6018 2892.326       197.2545 156.3698 3.002825 154.0914 5.291105 2.278442       6.083811 
1 1 1 -32 6  17 o 72.14429 2.334753 622.5370       40.27196 775.6131       60.86839 503.3590       53.70767 79.92515 3.147792 64.36342 3.449014 15.56173       4.669506 
1 1 1 -32 6  18 o 91.91277 3.137407 1027.269       69.76682 1027.269       69.76682 0.000000       0.000000 91.91277 3.137407 ?        ?        ?              ?        
1 1 1 -32 6  19 o 9.622787 4.527336 -28.75658      27.06678 -28.75658      27.06678 0.000000       0.000000 9.622787 4.527336 ?        ?        ?              ?        
1 1 1 -32 8  1  o 89.30119 2.459684 962.8768       53.05502 1043.469       77.00581 890.0516       73.20095 92.85037 3.427974 85.75200 3.528338 7.098373       4.919367 
1 1 1 -32 8  2  o 388.3310 5.018858 18275.68       471.3731 18602.03       677.3242 17969.17       656.4120 391.6850 7.147552 384.9770 7.047571 6.708069       10.03772 
1 1 1 -32 8  3  o 198.5981 2.998839 4771.441       144.0239 4656.985       200.0358 4894.636       207.5320 196.1280 4.215662 201.0681 4.266184 -4.940109      5.997678 
1 1 1 -32 8  4  o 342.8796 4.501488 14224.84       372.9572 13791.48       512.1799 14713.99       544.1533 337.3391 6.275575 348.4201 6.455289 -11.08099      9.002976 
1 1 1 -32 8  5  o 238.7945 3.379445 6905.028       195.2294 6833.609       274.2461 6978.406       277.9839 237.5432 4.771946 240.0458 4.786558 -2.502625      6.758891 
1 1 1 -32 8  6  f 292.4547 3.940862 10362.81       278.8222 10443.58       396.9142 10284.13       391.7646 293.5783 5.588178 291.3311 5.558222 2.247192       7.881723 
1 1 1 -32 8  7  o 234.7821 4.706558 6676.788       267.3441 6676.788       267.3441 0.000000       0.000000 234.7821 4.706558 ?        ?        ?              ?        
1 1 1 -32 8  8  o 363.7378 4.735238 16049.71       416.6739 15918.53       584.7023 16185.07       593.9379 362.2317 6.671847 365.2439 6.721337 -3.012177      9.470476 
1 1 1 -32 8  9  o 79.45375 2.384925 764.3249       45.80497 722.6538       64.36382 807.0861       65.20029 77.25803 3.443467 81.64948 3.300607 -4.391457      4.769850 
1 1 1 -32 8  10 o 115.2569 2.386022 1607.716       66.51936 1566.819       93.00388 1650.548       95.17898 113.7568 3.379258 116.7570 3.369424 -3.000244      4.772044 
1 1 1 -32 8  11 o 138.7343 2.998602 2303.797       95.15453 2247.865       116.2071 2417.609       165.7663 136.2431 3.525462 141.2255 4.851553 -4.982376      5.997203 
1 1 1 -32 8  12 o 218.2763 3.181030 5768.871       167.8843 5948.369       242.6841 5604.134       232.4922 221.5262 4.528078 215.0264 4.469040 6.499817       6.362060 
1 1 1 -32 8  13 o 184.1997 2.871984 4112.321       127.9877 4102.998       180.4866 4121.752       181.5218 183.9903 4.054596 184.4091 4.068591 -0.4188080     5.743969 
1 1 1 -32 8  14 o 129.6499 2.491436 2037.317       78.14610 2060.322       110.6145 2014.394       110.4163 130.3818 3.506651 128.9181 3.540114 1.463745       4.982872 
1 1 1 -32 8  15 o 105.9037 2.394262 1360.047       61.34539 1363.396       86.96214 1356.729       86.55029 106.0332 3.389892 105.7743 3.382099 0.2589951      4.788524 
1 1 1 -32 8  16 o 119.8436 2.949311 1816.558       72.38759 1883.699       83.55394 1614.515       144.9421 124.6397 2.770820 115.0475 5.207331 9.592194       5.898622 
1 1 1 -32 8  17 o 137.3238 3.170699 2359.357       99.75787 2500.473       124.8926 2110.648       165.8033 143.3562 3.600956 131.2913 5.219812 12.06491       6.341397 
1 1 1 -32 8  18 o 33.45186 4.806118 127.1251       30.41939 118.4823       33.49016 167.8763       72.72118 31.11007 4.449528 35.79365 8.520373 -4.683580      9.612235 
1 1 1 -32 8  19 o 41.88170 2.760823 200.5567       26.94767 298.1606       44.73726 144.9770       33.75932 49.37023 3.745432 34.39316 4.057133 14.97707       5.521647 
1 1 1 -32 8  20 o 15.48096 6.164172 17.09342       34.65240 17.09342       34.65240 0.000000       0.000000 15.48096 6.164172 ?        ?        ?              ?        
1 1 1 -32 10 1  o 306.7811 4.116329 11405.73       305.4839 11528.12       436.1716 11287.88       427.9837 308.3937 5.845876 305.1686 5.796757 3.225067       8.232658 
1 1 1 -32 10 2  o 234.1865 3.359785 6641.109       190.3212 6731.429       272.5122 6555.106       265.9186 235.7387 4.778072 232.6342 4.724686 3.104538       6.719571 
1 1 1 -32 10 3  o 309.7778 4.143447 11628.39       310.4772 11781.00       444.4337 11482.91       433.9174 311.7592 5.892307 307.7965 5.826948 3.962708       8.286894 
1 1 1 -32 10 4  o 276.0468 3.782398 9231.299       252.5646 9348.409       361.4059 9119.510       353.0995 277.7551 5.378125 274.3386 5.319953 3.416504       7.564795 
1 1 1 -32 10 5  o 235.4717 3.372550 6707.028       191.9629 6492.490       264.7646 6944.789       278.7262 231.5105 4.727015 239.4329 4.811624 -7.922363      6.745101 
1 1 1 -32 10 6  o 218.6765 3.196232 5786.207       168.9836 5954.357       244.5806 5632.625       233.7452 221.7104 4.559671 215.6425 4.480290 6.067947       6.392464 
1 1 1 -32 10 7  o 304.7513 4.089156 11179.43       299.9214 12039.23       453.1257 10509.04       400.1103 315.0837 5.944159 294.4189 5.617095 20.66489       8.178311 
1 1 1 -32 10 8  o 458.3417 5.837252 25543.05       647.2913 25535.19       914.8016 25550.92       916.0159 458.2723 8.250895 458.4111 8.259344 -0.1387939     11.67450 
1 1 1 -32 10 9  o 260.0142 3.598844 8193.477       226.3548 8306.817       323.7567 8085.097       316.5915 261.7704 5.112060 258.2581 5.066908 3.512329       7.197688 
1 1 1 -32 10 10 o 198.0152 3.011878 4749.933       144.2777 4684.993       202.4224 4816.991       205.6961 196.6401 4.254849 199.3903 4.264025 -2.750229      6.023757 
1 1 1 -32 10 11 o 203.5098 3.067012 5019.070       151.0039 5054.196       214.6435 4984.648       212.4765 204.2141 4.344397 202.8054 4.330410 1.408691       6.134023 
1 1 1 -32 10 12 o 169.8422 2.781786 3495.746       114.3030 3533.003       161.8673 3458.688       161.4314 170.7460 3.918376 168.9383 3.949640 1.807724       5.563571 
1 1 1 -32 10 13 o 153.1236 2.663606 2841.505       98.65720 2806.222       137.8726 2878.529       141.2328 152.1516 3.745408 154.0957 3.788286 -1.944092      5.327212 
1 1 1 -32 10 14 o 233.3350 4.075346 6621.105       217.1463 6602.601       266.1580 6657.942       375.5187 233.1037 4.719414 233.5664 6.645367 -0.4627228     8.150691 
1 1 1 -32 10 15 o 83.80918 3.528578 852.6003       71.54737 0.000000       0.000000 852.6003       71.54737 ?        ?        83.80918 3.528578 ?              ?        
1 1 1 -32 10 16 o 115.6131 2.449673 1623.469       68.48254 1550.170       95.55936 1700.864       98.19216 112.9269 3.497627 118.2994 3.430774 -5.372452      4.899347 
1 1 1 -32 10 17 o 52.92874 3.018197 344.3603       38.39748 315.9798       56.00161 369.5395       52.74874 50.82188 4.554571 55.03559 3.961559 -4.213715      6.036395 
1 1 1 -32 10 18 o 63.21476 3.651944 490.5774       50.45858 487.9318       59.68723 497.2040       94.46336 63.16890 3.905492 63.26061 6.172026 -0.9170914E-01 7.303887 
1 1 1 -32 10 19 o 73.02660 3.296107 689.2576       53.95939 755.9276       67.04720 566.6865       90.90959 78.59031 3.526220 67.46290 5.569836 11.12741       6.592215 
1 1 1 -32 10 20 o 65.02497 3.053425 543.0287       45.90418 612.9761       59.53233 440.4521       72.09267 70.64536 3.483108 59.40459 5.016130 11.24077       6.106849 
1 1 1 -32 12 1  o 91.69215 2.691948 1018.271       59.69115 980.5944       84.20964 1056.318       84.62394 89.98563 3.867999 93.39867 3.744987 -3.413033      5.383896 
1 1 1 -32 12 2  o 259.4464 3.633108 8158.000       228.0484 8140.786       322.0369 8175.317       322.9836 259.1721 5.135882 259.7208 5.140099 -0.5487366     7.266217 
1 1 1 -32 12 3  o 386.4161 5.020099 18124.17       469.2487 17934.86       656.7070 18321.68       670.7515 384.3620 7.062019 388.4702 7.136769 -4.108185      10.04020 
1 1 1 -32 12 4  o 150.2260 2.685257 2732.800       97.59044 2774.164       138.3661 2691.854       137.6640 151.3580 3.778525 149.0941 3.816433 2.263885       5.370513 
1 1 1 -32 12 5  o 360.7427 4.722036 15773.34       411.7095 16247.67       598.7433 15347.92       567.0396 365.8647 6.764221 355.6208 6.590586 10.24399       9.444073 
1 1 1 -32 12 6  o 166.5527 2.793209 3359.667       112.5516 3335.126       158.9020 3384.376       159.4434 165.9419 3.957955 167.1635 3.942419 -1.221542      5.586419 
1 1 1 -32 12 7  o 263.8951 3.670660 8436.751       234.2318 8266.598       324.8848 8620.933       338.0126 261.1317 5.142421 266.6585 5.239322 -5.526886      7.341321 
1 1 1 -32 12 8  o 196.9450 3.023455 4698.096       144.0402 4619.379       201.5675 4780.240       205.9090 195.2603 4.266819 198.6297 4.284785 -3.369370      6.046910 
1 1 1 -32 12 9  o 184.3221 2.911481 4116.121       129.8301 4072.767       182.6494 4160.397       184.5808 183.3411 4.117713 185.3030 4.117198 -1.961945      5.822962 
1 1 1 -32 12 10 o 65.67523 3.028738 525.6138       47.84833 470.7877       68.64146 577.4357       66.73435 62.31752 4.552753 69.03294 3.995680 -6.715427      6.057477 
1 1 1 -32 12 11 o 94.44460 2.662010 1080.512       60.79303 1131.260       86.78783 1031.622       85.18326 96.62337 3.712568 92.26582 3.816024 4.357552       5.324021 
1 1 1 -32 12 12 o 237.2541 3.412172 6833.539       195.8598 6845.403       276.7743 6821.639       277.2013 237.4617 4.817590 237.0464 4.833477 0.4153137      6.824344 
1 1 1 -32 12 13 o 164.0067 2.774879 3261.121       110.0478 3408.286       158.1101 3122.837       153.2652 167.5957 3.899371 160.4177 3.949016 7.177948       5.549759 
1 1 1 -32 12 14 o 23.13772 5.425083 62.58801       35.60431 52.90368       51.87352 71.21404       48.95715 22.11234 7.795106 24.16310 7.547345 -2.050756      10.85017 
1 1 1 -32 12 15 o 22.56829 5.312318 59.89507       33.99615 54.54521       49.86449 64.54141       46.47038 22.05984 7.651107 23.07675 7.371800 -1.016912      10.62464 
1 1 1 -32 12 16 o 74.25609 2.702518 672.3425       48.45548 619.0642       68.04106 727.1685       69.02226 71.25139 3.947076 77.26080 3.692561 -6.009407      5.405036 
1 1 1 -32 12 17 o 94.44644 2.908963 1072.676       64.76313 1013.542       81.81268 1171.922       105.9890 91.11756 3.711216 97.77532 4.480529 -6.657761      5.817926 
1 1 1 -32 12 18 o 84.66766 2.590518 873.2697       52.90814 928.6017       78.59968 827.4260       71.54386 87.09089 3.730317 82.24442 3.595536 4.846466       5.181036 
1 1 1 -32 12 19 o 56.32988 3.031311 389.9146       41.10875 411.7521       61.86478 372.6481       55.01015 57.69477 4.432050 54.96500 4.136703 2.729774       6.062621 
1 1 1 -32 12 20 o 67.86806 3.650740 568.5482       59.94442 0.000000       0.000000 568.5482       59.94442 ?        ?        67.86806 3.650740 ?              ?        
1 1 1 -32 14 1  o 221.5748 3.282205 5947.573       175.9121 5829.733       245.7235 6071.458       251.9478 219.3253 4.630795 223.8243 4.652658 -4.498947      6.564411 
1 1 1 -32 14 2  o 227.8061 3.345417 6289.031       184.3678 6339.336       262.7004 6240.204       258.8141 228.7022 4.747752 226.9100 4.714459 1.792175       6.690835 
1 1 1 -32 14 3  o 325.8964 4.353119 12875.61       342.9770 12549.83       474.1334 13233.20       496.7413 321.5872 6.093957 330.2055 6.217900 -8.618256      8.706239 
1 1 1 -32 14 4  o 321.2850 4.297838 12516.25       333.8841 12818.49       482.1837 12237.83       462.7805 324.9992 6.132364 317.5709 6.023267 7.428284       8.595675 
1 1 1 -32 14 5  o 133.7060 2.693045 2164.065       87.08425 2245.732       124.7372 2086.412       121.6329 136.1664 3.786376 131.2456 3.830577 4.920853       5.386089 
1 1 1 -32 14 6  o 425.8608 5.483263 22044.22       564.6299 21598.01       782.7708 22528.22       815.2328 421.3947 7.677914 430.3269 7.830345 -8.932190      10.96653 
1 1 1 -32 14 7  o 284.7682 3.908026 9834.030       269.1669 9650.967       375.0966 10028.37       386.4775 282.0418 5.497021 287.4945 5.556386 -5.452637      7.816051 
1 1 1 -32 14 8  o 140.5241 2.690293 2391.263       91.44072 2320.269       127.8634 2465.580       130.8207 138.3895 3.818922 142.6587 3.790320 -4.269272      5.380585 
1 1 1 -32 14 9  o 156.4604 2.777835 2965.136       105.1241 2889.554       146.7692 3044.760       150.6424 154.4140 3.928673 158.5068 3.928231 -4.092789      5.555670 
1 1 1 -32 14 10 o 75.02399 3.010781 684.4367       54.38230 765.4597       77.15360 604.4365       76.66511 79.45904 4.013383 70.58894 4.489094 8.870094       6.021562 
1 1 1 -32 14 11 o 88.56099 2.749075 950.5186       58.86972 907.8022       82.08533 995.7579       84.47481 86.51182 3.921822 90.61015 3.853435 -4.098335      5.498149 
1 1 1 -32 14 12 o 222.8167 3.286740 6024.943       177.0046 5833.899       243.7775 6237.974       257.4243 219.0976 4.598897 226.5357 4.696892 -7.438126      6.573481 
1 1 1 -32 14 13 o 100.5091 2.654370 1227.137       64.53870 1207.485       91.35506 1246.718       91.18819 99.70208 3.787269 101.3162 3.720124 -1.614128      5.308741 
1 1 1 -32 14 14 o 129.3387 2.681240 2033.631       83.86126 2081.667       120.8887 1989.071       116.4323 130.8044 3.819977 127.8729 3.763506 2.931541       5.362481 
1 1 1 -32 14 15 o 74.19704 2.836358 671.2394       50.89060 642.3156       71.24270 701.3754       72.72041 72.55838 4.058359 75.83571 3.963512 -3.277328      5.672716 
1 1 1 -32 14 16 o 27.49300 5.475408 99.71828       38.65245 72.57417       59.89134 119.0945       50.60117 24.67765 8.391341 30.30836 7.036034 -5.630701      10.95082 
1 1 1 -32 14 17 o 107.2500 3.685408 1407.366       95.62803 0.000000       0.000000 1407.366       95.62803 ?        ?        107.2500 3.685408 ?              ?        
1 1 1 -32 14 18 o 92.86694 2.745122 1063.756       61.46323 1008.123       89.14055 1114.177       84.86152 90.46920 4.072604 95.26467 3.681939 -4.795471      5.490244 
1 1 1 -32 14 19 o 23.04951 5.913050 62.43209       41.69491 66.91492       67.30076 59.63974       53.11642 23.87789 8.816436 22.22114 7.882074 1.656755       11.82610 
1 1 1 -32 14 20 o 22.38910 6.300234 41.97472       57.50867 -80.19036      105.6961 93.34920       68.54235 18.70541 8.844842 26.07280 8.974441 -7.367388      12.60047 
1 1 1 -32 16 1  o 418.8179 5.415935 21329.20       548.3398 21886.29       795.0090 20823.69       757.3035 423.9977 7.750082 413.6381 7.567407 10.35953       10.83187 
1 1 1 -32 16 2  o 75.21019 3.212698 679.4818       57.89684 826.5892       86.09309 558.0252       78.22785 82.58220 4.309030 67.83819 4.766338 14.74401       6.425396 
1 1 1 -32 16 3  o 196.7395 4.415226 4691.830       210.1584 0.000000       0.000000 4691.830       210.1584 ?        ?        196.7395 4.415226 ?              ?        
1 1 1 -32 16 4  f 135.0510 3.889358 2209.878       127.0802 2209.878       127.0802 0.000000       0.000000 135.0510 3.889358 ?        ?        ?              ?        
1 1 1 -32 16 5  o 243.9164 3.513377 7207.727       207.1753 7444.645       300.2401 6992.387       286.2413 247.7324 5.009376 240.1004 4.927618 7.631912       7.026753 
1 1 1 -32 16 6  o 60.25109 3.498833 440.2946       50.93051 442.5337       74.10453 438.2901       70.11425 60.39183 5.071825 60.11035 4.821196 0.2814789      6.997666 
1 1 1 -32 16 7  o 74.46407 3.221482 671.9410       57.91067 735.3633       83.27155 612.5371       80.59035 77.86971 4.420036 71.05843 4.687757 6.811272       6.442964 
1 1 1 -32 16 8  o 269.0246 5.337093 8791.742       347.3755 0.000000       0.000000 8791.742       347.3755 ?        ?        269.0246 5.337093 ?              ?        
1 1 1 -32 16 9  o 77.61699 3.078859 731.7048       57.77653 710.2686       82.38325 752.4526       81.04978 76.49166 4.451665 78.74232 4.254430 -2.250656      6.157719 
1 1 1 -32 16 10 o 179.4474 2.959029 3909.728       128.4543 3979.664       182.0195 3840.338       181.3062 181.0507 4.155426 177.8441 4.213769 3.206589       5.918059 
1 1 1 -32 16 11 o 151.8246 2.767827 2799.339       101.6642 2830.812       144.3837 2768.392       143.1737 152.6717 3.908925 150.9775 3.919664 1.694275       5.535654 
1 1 1 -32 16 12 o 81.29790 2.964115 806.9042       58.03085 772.3055       85.17046 836.8839       79.28164 79.63903 4.420392 82.95676 3.950195 -3.317726      5.928229 
1 1 1 -32 16 13 o 93.03925 2.871355 1052.791       64.57037 1115.114       93.53396 996.0481       89.24924 95.66819 4.041099 90.41032 4.080226 5.257874       5.742710 
1 1 1 -32 16 14 o 78.70302 3.072653 757.6183       58.40668 748.9388       84.84267 765.4368       80.52537 78.24825 4.481644 79.15778 4.204717 -0.9095306     6.145306 
1 1 1 -32 16 15 o 152.8887 4.024448 2859.064       148.8621 2859.064       148.8621 0.000000       0.000000 152.8887 4.024448 ?        ?        ?              ?        
1 1 1 -32 16 16 o 54.85829 3.762056 368.1854       49.50158 409.1147       76.34587 338.4978       65.02141 57.41100 5.496523 52.30558 5.138142 5.105423       7.524113 
1 1 1 -32 16 17 o 62.55502 3.503521 482.4907       52.44326 510.9358       81.25088 462.1781       68.66064 64.02334 5.245507 61.08669 4.645783 2.936646       7.007042 
1 1 1 -32 16 18 o 29.38993 6.068479 117.8510       45.07650 120.6497       72.65604 116.0996       57.47514 29.59188 9.186417 29.18797 7.931930 0.4039078      12.13696 
1 1 1 -32 16 19 o 57.03143 4.214967 438.8923       54.93717 304.2903       81.61447 550.4103       74.28721 47.95020 7.035167 66.11266 4.644373 -18.16246      8.429934 
1 1 1 -32 16 20 f 19.80881 6.440462 -15.16230      66.71231 -39.16716      121.3983 -4.776919      79.84983 20.84491 9.736299 18.77270 8.433428 2.072206       12.88092 
1 1 1 -32 18 1  o 134.7770 2.828345 2201.854       92.19904 2142.345       128.6312 2264.730       132.2211 132.9052 4.000387 136.6488 3.999381 -3.743576      5.656690 
1 1 1 -32 18 2  o 231.1703 3.421125 6487.350       191.3219 6577.013       272.7718 6400.524       268.4207 232.7413 4.844218 229.5994 4.832177 3.141830       6.842250 
1 1 1 -32 18 3  o 118.1535 2.812643 1690.934       80.35176 1767.657       115.8948 1619.917       111.5016 120.7320 3.967702 115.5751 3.987628 5.156883       5.625285 
1 1 1 -32 18 4  o 58.02012 3.728986 411.6471       51.99913 366.2881       74.74625 454.1871       72.38628 54.88501 5.629027 61.15522 4.892383 -6.270210      7.457973 
1 1 1 -32 18 5  o 348.0507 4.629219 14751.06       389.5882 15114.07       562.6339 14416.68       539.9855 352.1383 6.604050 343.9631 6.488853 8.175262       9.258438 
1 1 1 -32 18 6  o 36.16373 5.554045 168.6492       47.16405 139.3818       69.72624 193.3350       64.03649 33.10567 8.620559 39.22179 7.005400 -6.116112      11.10809 
1 1 1 -32 18 7  o 68.43509 4.047407 544.0613       62.38210 642.4747       114.7114 502.7350       74.33490 72.55608 6.534771 64.31410 4.777319 8.241974       8.094814 
1 1 1 -32 18 8  o 186.0125 4.279770 4203.577       192.6038 0.000000       0.000000 4203.577       192.6038 ?        ?        186.0125 4.279770 ?              ?        
1 1 1 -32 18 9  o 139.7191 2.807004 2372.124       94.87594 2403.064       133.8802 2340.910       134.4714 140.6398 3.934648 138.7984 4.004452 1.841415       5.614008 
1 1 1 -32 18 10 o 90.89732 4.163128 1005.424       91.55312 1005.424       91.55312 0.000000       0.000000 90.89732 4.163128 ?        ?        ?              ?        
1 1 1 -32 18 11 o 111.4792 2.840275 1513.548       76.60255 1529.459       108.7588 1497.885       107.9109 112.0616 4.011487 110.8969 4.022017 1.164734       5.680550 
1 1 1 -32 18 12 o 80.51370 3.141931 782.6149       60.79708 916.5302       91.52715 676.8690       81.33294 86.61700 4.367617 74.41039 4.517837 12.20661       6.283863 
1 1 1 -32 18 13 o 66.36679 3.569310 542.2874       57.19529 518.5275       82.28568 564.4973       79.55607 64.91756 5.239137 67.81602 4.848849 -2.898460      7.138620 
1 1 1 -32 18 14 o 54.91323 4.112732 372.4720       54.51455 407.3872       79.99709 342.2004       74.48784 57.31656 5.768883 52.50990 5.863297 4.806660       8.225465 
1 1 1 -32 18 15 o 73.82108 3.407510 676.2692       60.58599 632.0291       87.92381 716.2675       83.60251 71.42268 5.088245 76.21949 4.533681 -4.796814      6.815021 
1 1 1 -32 18 17 o 35.89135 6.278563 181.5602       53.63701 169.3676       85.11184 189.5924       69.08092 34.45485 9.764040 37.32785 7.895880 -2.872997      12.55713 
1 1 1 -32 18 18 o 33.36382 6.504608 163.0919       53.46849 156.0433       87.08518 167.3567       67.73975 32.33859 10.06032 34.38905 8.248008 -2.050453      13.00922 
1 1 1 -32 18 19 o 31.01198 5.961545 123.3771       59.74065 -18.89497      82.41524 280.9042       86.72123 18.29897 8.357262 43.72499 8.503898 -25.42603      11.92309 
1 1 1 -32 20 1  o 59.33889 3.719447 430.3146       53.21675 412.3045       77.49989 446.3833       73.20345 58.13918 5.509724 60.53859 4.998008 -2.399406      7.438894 
1 1 1 -32 20 2  o 146.8627 2.858517 2614.505       101.4396 2796.831       147.2673 2449.898       139.9285 151.7284 4.011779 141.9970 4.073096 9.731400       5.717034 
1 1 1 -32 20 3  o 107.8703 2.853731 1412.387       74.43826 1372.036       103.2833 1456.003       107.3793 106.2707 4.017114 109.4699 4.054371 -3.199158      5.707463 
1 1 1 -32 20 4  o 168.9159 2.940203 3461.968       120.0517 3624.192       174.1820 3315.171       165.6934 172.6766 4.169342 165.1551 4.146778 7.521484       5.880406 
1 1 1 -32 20 5  o 80.33865 3.083138 785.0056       59.91872 767.2426       84.27201 803.1670       85.21153 79.41698 4.385990 81.26031 4.334287 -1.843323      6.166276 
1 1 1 -32 20 6  o 40.70466 4.856239 201.4231       45.84072 272.8349       70.64468 149.4857       60.24689 47.20417 6.185814 34.20515 7.487852 12.99902       9.712478 
1 1 1 -32 20 7  o 140.5830 3.994227 2404.399       135.8526 0.000000       0.000000 2404.399       135.8526 ?        ?        140.5830 3.994227 ?              ?        
1 1 1 -32 20 8  o 142.1115 4.092407 2459.738       140.7052 2459.738       140.7052 0.000000       0.000000 142.1115 4.092407 ?        ?        ?              ?        
1 1 1 -32 20 9  o 81.63432 3.164972 813.3535       62.49381 835.4486       89.52075 792.3502       87.28100 82.71564 4.473359 80.55299 4.478532 2.162659       6.329944 
1 1 1 -32 20 10 o 125.1696 2.824353 1912.517       85.49329 1963.350       120.3816 1860.789       121.4369 126.8677 3.921993 123.4714 4.065198 3.396217       5.648705 
1 1 1 -32 20 11 f 122.3981 2.843261 1830.847       84.18918 1846.437       118.6326 1815.030       119.4951 122.9329 3.988719 121.8633 4.052982 1.069626       5.686523 
1 1 1 -32 20 12 o 21.73617 5.939590 31.58043       48.60884 -31.49926      74.52123 78.29459       64.12975 17.98366 8.106697 25.48867 8.683107 -7.505011      11.87918 
1 1 1 -32 20 13 o 58.26627 4.174278 422.0424       57.54751 547.9370       84.68176 314.0102       78.44460 66.49793 5.263557 50.03460 6.480229 16.46334       8.348557 
1 1 1 -32 20 14 o 67.29840 4.650579 560.5182       75.72060 0.000000       0.000000 560.5182       75.72060 ?        ?        67.29840 4.650579 ?              ?        
1 1 1 -32 20 15 o 47.22068 5.136580 288.2270       58.24099 288.9386       87.77559 287.6672       77.84592 47.08216 7.705753 47.35920 6.794057 -0.2770462     10.27316 
1 1 1 -32 20 16 o 36.89735 6.624201 198.9453       59.89397 159.1519       90.90990 229.4649       79.61513 33.06872 10.27746 40.72598 8.360265 -7.657261      13.24840 
1 1 1 -32 20 17 o 43.91189 6.254880 275.7588       65.23883 321.5171       93.53375 232.4079       91.04006 48.36634 7.993241 39.45744 9.623005 8.908897       12.50976 
1 1 1 -32 20 18 o 31.04483 6.877564 147.4875       64.33710 241.9846       92.56321 59.16597       89.48752 38.98754 9.818774 23.10213 9.633028 15.88541       13.75513 
1 1 1 -32 22 1  o 85.50816 3.114219 881.3619       63.96882 1038.645       96.47742 757.9685       85.45354 92.24318 4.323038 78.77313 4.483835 13.47005       6.228438 
1 1 1 -32 22 2  o 76.65022 3.209817 717.8483       59.51093 704.7532       84.49199 730.7402       83.83419 75.94662 4.598379 77.35382 4.479578 -1.407204      6.419635 
1 1 1 -32 22 3  o 102.5899 2.962371 1283.533       73.51406 1250.240       103.2359 1317.783       104.7090 101.2353 4.214986 103.9445 4.163707 -2.709122      5.924742 
1 1 1 -32 22 4  f 100.1927 2.948593 1224.111       71.44429 1275.567       102.0801 1174.704       100.0262 102.2646 4.125849 98.12086 4.213569 4.143715       5.897185 
1 1 1 -32 22 5  o 84.54422 3.073286 873.3663       62.81999 858.3348       90.01659 887.6373       87.71008 83.81744 4.439007 85.27100 4.251535 -1.453560      6.146571 
1 1 1 -32 22 6  o 27.78870 6.224689 91.05833       46.70917 126.9571       74.17327 67.46688       60.12918 31.35068 9.186749 24.22673 8.401827 7.123947       12.44938 
1 1 1 -32 22 7  f 95.79309 3.088219 1123.329       71.43970 1105.041       103.7456 1139.822       98.51890 95.01530 4.513089 96.57088 4.216683 -1.555580      6.176438 
1 1 1 -32 22 8  o 39.33465 8.071219 192.5063       71.79955 179.3536       81.65111 237.3587       150.7811 36.83408 9.191895 41.83522 13.26979 -5.001141      16.14244 
1 1 1 -32 22 9  o 21.01904 6.211200 16.57554       52.74145 19.13687       76.26594 14.22788       73.01554 21.38505 8.902971 20.65304 8.663321 0.7320099      12.42240 
1 1 1 -32 22 10 o 76.02444 3.537926 713.4025       64.99889 755.3474       92.23505 672.0216       91.61273 78.28446 4.869878 73.76443 5.133417 4.520035       7.075852 
1 1 1 -32 22 11 o 36.33491 6.103631 181.5694       53.53650 132.8672       80.20631 220.7037       71.89742 31.55966 9.627456 41.11015 7.505287 -9.550491      12.20726 
1 1 1 -32 22 12 o 52.27702 4.500217 342.9454       56.69990 387.2701       83.56419 305.1283       77.18654 55.43411 6.230757 49.11993 6.495036 6.314182       9.000434 
1 1 1 -32 22 13 o 61.86657 4.015848 482.3614       60.03487 455.9951       84.91589 508.7106       84.88836 60.10520 5.839486 63.62794 5.514395 -3.522743      8.031696 
1 1 1 -32 22 14 o 23.17040 6.500332 43.71281       57.62754 -11.10705      85.07575 90.19109       78.33607 19.81178 8.816106 26.52903 9.554765 -6.717249      13.00066 
1 1 1 -32 22 15 o 56.05412 4.806251 413.7569       65.14695 430.0809       92.53534 397.7145       91.73330 57.22584 6.683642 54.88239 6.908626 2.343445       9.612501 
1 1 1 -32 22 16 o 27.95336 7.224054 117.0236       63.73273 110.3806       92.42977 123.0448       87.99691 27.43641 10.29194 28.47030 10.14021 -1.033892      14.44811 
1 1 1 -32 22 17 o 57.89197 4.925583 467.9948       68.81855 428.4253       94.08544 513.5238       100.9221 55.17739 7.047888 60.60656 6.882785 -5.429169      9.851166 
1 1 1 -32 24 1  o 16.99883 5.449567 -56.62982      48.26953 11.01241       78.19479 -98.27437      61.35471 21.00842 8.896708 12.98925 6.296009 8.019165       10.89913 
1 1 1 -32 24 2  o 45.88599 5.061089 271.2969       53.62634 246.2055       82.13834 289.9378       70.79733 43.46254 8.109686 48.30943 6.057350 -4.846882      10.12218 
1 1 1 -32 24 3  o 90.84233 3.242462 1015.364       71.11946 947.8882       101.0172 1081.678       100.1447 87.79255 4.755930 93.89212 4.408556 -6.099571      6.484924 
1 1 1 -32 24 4  o 27.74700 6.156886 77.63452       49.58103 168.9071       79.86253 20.39267       63.24551 35.59527 9.205053 19.89872 8.178995 15.69654       12.31377 
1 1 1 -32 24 5  o 115.8515 3.035738 1648.305       85.00740 1590.720       121.3290 1703.828       119.1382 113.8187 4.406044 117.8843 4.177272 -4.065590      6.071477 
1 1 1 -32 24 6  f 81.13440 3.423095 811.3994       66.94686 813.8182       99.03882 809.3642       90.84527 81.18079 5.042546 81.08800 4.630665 0.9279633E-01  6.846191 
1 1 1 -32 24 7  o 44.71060 5.360423 254.8571       56.61599 280.3429       85.48014 234.9395       75.56728 46.98515 7.519730 42.43604 7.641347 4.549110       10.72085 
1 1 1 -32 24 8  o 19.00571 5.895538 -10.74486      51.93011 5.892478       77.08581 -24.56915      70.26740 20.36676 8.735148 17.64466 7.920015 2.722107       11.79108 
1 1 1 -32 24 9  o 67.36396 3.877517 564.7418       63.03148 624.6299       91.79362 511.3108       86.70391 70.77888 5.360516 63.94904 5.604054 6.829838       7.755034 
1 1 1 -32 24 10 o 20.83040 6.243198 16.37994       54.13084 5.529125       84.39289 23.96448       70.55688 20.96449 9.066568 20.69631 8.585302 0.2681732      12.48640 
1 1 1 -32 24 11 o 45.13939 5.601359 275.0761       58.79463 225.4625       85.18119 320.2205       81.25408 40.35853 8.957626 49.92025 6.727692 -9.561726      11.20272 
1 1 1 -32 24 12 f 31.68990 6.903255 144.6413       58.60375 123.7873       88.61285 160.8530       78.12989 29.78771 10.20661 33.59208 9.297571 -3.804369      13.80651 
1 1 1 -32 24 13 f 44.82061 5.873902 280.0815       61.86168 233.4147       87.32533 327.0926       87.64682 40.14962 9.188614 49.49159 7.319854 -9.341972      11.74780 
1 1 1 -32 24 14 o 26.69374 6.371449 54.51248       64.26264 215.4593       92.94315 -92.90338      88.95048 37.16066 10.08171 16.22681 7.793616 20.93385       12.74290 
1 1 1 -32 24 15 o 24.07857 7.073423 71.80859       68.35074 93.50806       96.64388 50.09236       96.68121 25.44707 10.23845 22.71007 9.762546 2.737001       14.14685 
1 1 1 -32 26 1  o 70.19897 3.813278 611.5972       64.41515 707.4922       95.51365 531.5942       87.24095 75.26934 5.244994 65.12861 5.536640 10.14073       7.626555 
1 1 1 -32 26 2  o 25.26464 6.779723 67.63228       56.08360 82.37683       89.23251 58.00462       72.10535 26.87269 10.10612 23.65658 9.040187 3.216108       13.55945 
1 1 1 -32 26 3  o 85.98852 3.514611 928.1356       72.25110 777.6691       103.0858 1073.419       101.2947 78.85943 5.403100 93.11761 4.496272 -14.25818      7.029221 
1 1 1 -32 26 4  o 20.14004 6.132975 -21.85648      56.08688 57.89108       88.24512 -75.90513      72.64814 24.87499 9.858169 15.40508 7.298633 9.469918       12.26595 
1 1 1 -32 26 5  o 44.94273 5.499069 259.0094       57.89461 318.4821       90.15200 217.2681       75.52654 49.63918 7.506689 40.24627 8.037952 9.392910       10.99814 
1 1 1 -32 26 6  o 19.82427 6.077358 -8.107684      57.00151 -76.57916      89.18421 39.18076       74.11578 17.49391 8.226580 22.15463 8.947654 -4.660721      12.15472 
1 1 1 -32 26 7  o 31.19027 7.032989 135.6537       60.14743 119.2458       89.34097 149.2555       81.34308 29.75076 10.24566 32.62978 9.637338 -2.879019      14.06598 
1 1 1 -32 26 8  o 30.62867 9.513698 131.2798       77.91269 0.000000       0.000000 131.2798       77.91269 ?        ?        30.62867 9.513698 ?              ?        
1 1 1 -32 26 9  o 23.00503 6.610175 46.78010       57.68289 36.13346       85.56239 55.65046       78.09931 22.58832 9.419142 23.42174 9.276712 -0.8334236     13.22035 
1 1 1 -32 26 10 o 70.07700 3.989511 630.5360       67.53947 600.6619       96.27351 659.4871       94.77460 68.30918 5.825396 71.84481 5.452482 -3.535629      7.979022 
1 1 1 -32 26 11 o 39.40067 7.039647 236.0365       67.11380 227.9403       93.56180 244.6179       96.32500 38.69461 9.941144 40.10672 9.969963 -1.412113      14.07929 
1 1 1 -32 26 12 o 21.85054 6.697472 30.31647       65.79150 48.98630       92.34444 11.07063       93.75813 22.86901 9.675508 20.83208 9.263317 2.036932       13.39494 
1 1 1 -32 26 13 o 37.42410 6.982662 232.5547       70.23266 125.6484       97.27232 348.9815       101.5112 27.54272 10.50601 47.30549 9.200766 -19.76278      13.96532 
1 1 1 -31 1  1  o 479.0963 6.052092 27803.51       701.4982 27741.81       989.5154 27865.86       994.6409 478.5629 8.546362 479.6297 8.571521 -1.066864      12.10418 
1 1 1 -31 1  2  o 709.9780 8.795021 61136.11       1510.504 61767.73       2158.274 60529.72       2114.743 713.5614 12.50181 706.3945 12.37394 7.166870       17.59004 
1 1 1 -31 1  3  o 312.6109 4.142802 11828.82       313.3249 11878.17       444.5004 11780.07       441.7293 313.2588 5.864980 311.9630 5.852627 1.295868       8.285604 
1 1 1 -31 1  4  o 552.6909 8.471796 37097.21       1069.960 36906.61       1843.580 37194.02       1313.879 551.3766 13.82011 554.0052 9.802550 -2.628662      16.94359 
1 1 1 -31 1  5  o 382.5728 5.717529 17556.49       452.0404 17400.05       517.4397 18060.68       928.9260 379.1392 5.641035 386.0063 9.946822 -6.867126      11.43506 
1 1 1 -31 1  6  o 382.5943 5.754009 17308.79       446.4407 16965.65       505.5253 18524.69       951.6091 374.3530 5.581608 390.8357 10.06380 -16.48270      11.50802 
1 1 1 -31 1  7  o 126.4786 2.705918 1882.482       70.70023 1835.458       80.60865 2039.262       147.1865 123.1646 2.705163 129.7926 4.687223 -6.627983      5.411836 
1 1 1 -31 1  8  o 289.1400 4.478241 10121.70       271.0045 10113.92       312.7309 10145.15       543.0422 289.0339 4.472184 289.2461 7.760035 -0.2121887     8.956482 
1 1 1 -31 1  9  o 227.6494 3.713567 6312.813       178.1942 6349.798       206.7139 6205.830       351.5702 229.0313 3.730547 226.2676 6.422253 2.763687       7.427134 
1 1 1 -31 1  10 o 460.0543 5.835475 25704.87       649.5126 25698.88       918.4139 25710.86       918.6853 460.0007 8.252350 460.1079 8.252866 -0.1071777     11.67095 
1 1 1 -31 1  11 o 143.8338 2.464593 2498.693       85.66181 2364.533       117.8646 2648.898       124.7135 139.7513 3.485982 147.9163 3.484938 -8.164963      4.929185 
1 1 1 -31 1  12 o 153.0227 2.540281 2835.168       94.04113 2863.184       133.8135 2807.828       132.1898 153.7693 3.596897 152.2760 3.588097 1.493347       5.080562 
1 1 1 -31 1  13 o 146.3124 2.487216 2588.180       87.96866 2701.908       127.6118 2485.202       121.4311 149.3694 3.531238 143.2554 3.503619 6.114014       4.974433 
1 1 1 -31 1  14 o 91.75552 2.239915 1019.435       49.72217 1007.476       70.04639 1031.582       70.59232 91.21291 3.174148 92.29812 3.161276 -1.085205      4.479830 
1 1 1 -31 1  15 o 59.19062 2.419682 424.5336       34.41706 492.4621       49.61218 361.5155       47.78535 63.76096 3.216112 54.62028 3.616085 9.140682       4.839364 
1 1 1 -31 1  16 o 60.23201 2.255334 439.7302       32.84797 458.7996       46.67826 421.0230       46.23304 61.52763 3.135756 58.93639 3.242399 2.591232       4.510667 
1 1 1 -31 1  17 o 56.96029 2.985593 393.4439       41.14386 393.4439       41.14386 0.000000       0.000000 56.96029 2.985593 ?        ?        ?              ?        
1 1 1 -31 3  1  o 161.9554 3.065652 3254.420       106.3011 3352.534       125.1712 3000.595       201.3283 166.4595 3.108091 157.4513 5.285136 9.008163       6.131304 
1 1 1 -31 3  2  o 570.5249 8.225167 39616.24       989.6921 39763.07       1147.886 39190.96       1953.633 572.9542 8.280882 568.0956 14.21410 4.858582       16.45033 
1 1 1 -31 3  3  o 447.4959 6.542185 24370.96       617.4795 24483.61       716.3283 24045.21       1218.155 449.6982 6.583982 445.2936 11.30716 4.404572       13.08437 
1 1 1 -31 3  4  o 273.9319 4.332336 8849.466       240.9501 8660.601       272.8642 9518.145       513.4278 267.5220 4.215846 280.3417 7.569886 -12.81967      8.664672 
1 1 1 -31 3  5  o 261.5626 4.417093 8206.405       260.8653 8072.571       315.2093 8497.323       464.7296 258.2508 5.044929 264.8745 7.252001 -6.623749      8.834186 
1 1 1 -31 3  6  o 201.5374 3.449374 4885.553       144.7917 4855.817       166.4593 4977.989       293.4886 200.3194 3.434653 202.7554 5.982965 -2.436005      6.898747 
1 1 1 -31 3  7  o 495.9825 7.644496 30041.59       872.1695 30412.36       1081.396 29351.58       1475.243 500.7065 8.926867 491.2586 12.41227 9.447937       15.28899 
1 1 1 -31 3  8  o 126.3713 2.683970 1860.446       69.42171 1800.635       78.69953 2070.196       147.3791 121.9858 2.666616 130.7568 4.658748 -8.770943      5.367939 
1 1 1 -31 3  9  o 140.9577 2.831203 2416.250       83.34995 2426.865       96.20370 2384.295       166.9110 141.6112 2.807966 140.3043 4.917129 1.306915       5.662405 
1 1 1 -31 3  10 o 285.5462 4.497548 9551.664       257.9255 9298.165       290.4846 10496.13       560.6976 277.0856 4.333180 294.0067 7.882594 -16.92108      8.995095 
1 1 1 -31 3  11 o 157.3469 3.002056 2968.258       97.70937 2940.430       111.8809 3057.704       200.5851 155.8598 2.967013 158.8339 5.219789 -2.974152      6.004112 
1 1 1 -31 3  12 o 204.2502 3.489277 5116.576       150.4636 5181.429       175.0074 4932.778       294.6190 206.8600 3.496855 201.6403 6.039223 5.219635       6.978553 
1 1 1 -31 3  13 o 90.01628 2.267136 979.7106       49.33776 1020.112       71.44504 942.8790       68.21523 91.78751 3.217260 88.24506 3.195131 3.542458       4.534272 
1 1 1 -31 3  14 o 144.0151 2.493231 2507.471       86.77782 2616.861       126.3394 2409.769       119.3992 146.9815 3.552824 141.0486 3.498891 5.932892       4.986462 
1 1 1 -31 3  15 o 153.3149 2.562686 2799.869       94.20613 3246.054       145.4089 2477.119       123.6706 163.6574 3.672426 142.9724 3.575294 20.68492       5.125372 
1 1 1 -31 3  16 o 77.44508 2.175760 722.2987       40.56526 832.0475       59.82215 628.8781       55.19295 82.86084 2.984079 72.02934 3.167174 10.83150       4.351519 
1 1 1 -31 3  17 o 14.27527 3.466299 4.885985       17.40007 48.91003       27.75769 -23.61106      22.33255 19.75519 5.568261 8.795348 4.129817 10.95984       6.932598 
1 1 1 -31 5  1  o 574.2250 8.315174 39931.85       996.4756 39835.61       1147.948 40226.05       2007.093 573.3427 8.275714 575.1074 14.42501 -1.764709      16.63035 
1 1 1 -31 5  2  o 394.6050 5.950171 18275.43       471.1921 17828.04       530.7330 19940.51       1023.880 383.7444 5.716519 405.4656 10.43741 -21.72119      11.90034 
1 1 1 -31 5  3  o 404.1101 5.968850 19906.68       509.7796 20032.20       592.2759 19547.89       1001.354 406.7566 6.018485 401.4636 10.30954 5.292969       11.93770 
1 1 1 -31 5  4  o 128.5121 3.013396 1996.169       87.18330 1991.648       105.4281 2005.949       155.0526 128.2934 3.396643 128.7307 4.978456 -0.4373627     6.026791 
1 1 1 -31 5  5  o 343.9014 5.519058 14311.22       431.9621 14269.46       527.5378 14396.19       752.4939 343.2466 6.352507 344.5562 9.026940 -1.309662      11.03812 
1 1 1 -31 5  6  o 79.14481 2.665212 757.9235       51.03363 757.9235       51.03363 0.000000       0.000000 79.14481 2.665212 ?        ?        ?              ?        
1 1 1 -31 5  7  o 249.9250 4.271250 7471.448       239.9508 7313.353       288.4935 7826.293       432.2121 245.7579 4.852061 254.0922 7.030775 -8.334381      8.542500 
1 1 1 -31 5  8  o 85.91502 3.087675 893.3366       64.18048 893.3366       64.18048 0.000000       0.000000 85.91502 3.087675 ?        ?        ?              ?        
1 1 1 -31 5  9  o 50.16190 3.467302 332.3680       32.28431 350.2621       36.18116 262.4628       71.51235 53.79777 2.779815 46.52602 6.353059 7.271748       6.934604 
1 1 1 -31 5  10 f 206.8953 3.528974 5125.901       150.3666 5071.917       171.7853 5302.796       310.9644 204.6808 3.469018 209.1097 6.146588 -4.428909      7.057948 
1 1 1 -31 5  11 o 250.0209 4.022704 7610.936       210.9619 7642.298       244.0230 7518.145       419.7373 251.1965 4.015272 248.8453 6.971814 2.351166       8.045408 
1 1 1 -31 5  12 o 161.0584 3.288749 3185.833       121.1398 3278.669       149.9354 3011.302       205.5809 164.5333 3.766588 157.5836 5.392243 6.949722       6.577497 
1 1 1 -31 5  13 o 71.81052 3.054099 635.9536       43.19310 644.1714       48.75056 605.9489       93.15252 72.94661 2.762309 70.67444 5.447910 2.272171       6.108197 
1 1 1 -31 5  14 o 78.45119 2.944547 786.4065       46.08242 820.9023       52.71408 674.5984       94.90303 82.34443 2.646002 74.55795 5.261188 7.786476       5.889093 
1 1 1 -31 5  15 o 131.3617 3.056210 2162.952       92.78776 2377.315       118.7899 1827.484       148.6040 140.0524 3.505796 122.6709 5.007103 17.38151       6.112421 
1 1 1 -31 5  16 o 108.7525 2.282682 1416.951       59.69583 1635.533       90.07515 1245.754       79.71611 116.1442 3.205568 101.3608 3.250675 14.78339       4.565365 
1 1 1 -31 5  17 o 199.9713 4.205682 4865.605       203.4728 4865.605       203.4728 0.000000       0.000000 199.9713 4.205682 ?        ?        ?              ?        
1 1 1 -31 5  18 o 22.31517 5.730522 63.49828       31.09916 63.49828       31.09916 0.000000       0.000000 22.31517 5.730522 ?        ?        ?              ?        
1 1 1 -31 7  1  o 237.2999 3.379007 6815.988       193.9651 6731.200       271.4496 6904.443       277.2590 235.7932 4.758341 238.8066 4.798849 -3.013397      6.758014 
1 1 1 -31 7  2  o 213.1534 3.138266 5499.862       161.8390 5514.396       229.1793 5485.405       228.5718 213.4343 4.438220 212.8725 4.438138 0.5617676      6.276533 
1 1 1 -31 7  3  o 137.1663 2.517586 2273.813       83.48818 2187.880       115.4965 2367.856       120.8238 134.4560 3.550475 139.8766 3.570305 -5.420593      5.035171 
1 1 1 -31 7  4  o 208.9074 3.081515 5283.033       155.7472 5277.979       220.1323 5288.098       220.3875 208.8074 4.357482 209.0074 4.358358 -0.2000122     6.163030 
1 1 1 -31 7  5  o 383.8810 4.957117 17859.70       460.3510 17712.03       645.8144 18012.25       656.3834 382.2710 6.982872 385.4911 7.037865 -3.220184      9.914234 
1 1 1 -31 7  6  o 96.51569 2.338765 1127.896       54.58807 1097.562       77.56305 1157.667       76.84039 95.22846 3.366556 97.80293 3.247397 -2.574463      4.677530 
1 1 1 -31 7  7  o 347.7230 4.541872 14656.71       382.0861 14718.10       542.5064 14596.29       538.2219 348.4441 6.435309 347.0019 6.411020 1.442169       9.083743 
1 1 1 -31 7  8  f 101.3651 2.914795 1261.555       66.56549 1195.717       116.4283 1293.527       81.13367 99.35408 4.843626 103.3762 3.243982 -4.022079      5.829591 
1 1 1 -31 7  9  o 189.7997 2.892904 4360.983       132.8134 4436.217       190.2125 4289.410       185.5280 191.3957 4.107756 188.2038 4.074543 3.191940       5.785807 
1 1 1 -31 7  10 o 418.4941 5.365975 21274.64       543.2915 21193.10       765.6108 21357.35       771.0788 417.6893 7.576217 419.2990 7.601034 -1.609711      10.73195 
1 1 1 -31 7  11 o 150.5619 3.236516 2741.882       109.3444 2733.542       131.8407 2760.262       195.7108 150.2433 3.627038 150.8806 5.361413 -0.6372681     6.473032 
1 1 1 -31 7  12 o 122.4855 2.924535 1829.918       82.89707 1775.134       138.1806 1860.721       103.6134 121.0148 4.719610 123.9561 3.454981 -2.941330      5.849070 
1 1 1 -31 7  13 o 313.4814 4.177409 11923.68       316.6891 12176.26       456.1131 11688.57       440.0506 316.6760 5.953263 310.2868 5.861880 6.389160       8.354817 
1 1 1 -31 7  14 o 138.0961 3.207542 2387.569       100.8660 2560.196       125.9244 2078.525       168.4866 145.3558 3.580761 130.8364 5.322729 14.51935       6.415083 
1 1 1 -31 7  15 o 282.7100 4.451642 9848.727       266.3073 9968.345       310.1886 9513.385       519.3626 286.5259 4.474656 278.8940 7.697137 7.631958       8.903284 
1 1 1 -31 7  16 o 99.65543 2.972858 1228.249       67.03763 1270.308       82.25236 1145.033       115.6963 102.3276 3.322411 96.98328 4.930833 5.344276       5.945715 
1 1 1 -31 7  17 o 116.4360 2.963200 1653.736       78.02842 1658.276       94.89177 1644.259       137.1155 116.8253 3.357293 116.0467 4.883729 0.7786560      5.926401 
1 1 1 -31 7  18 o 65.79793 2.219724 518.4046       35.05975 608.7172       53.47964 450.3367       46.42858 70.74741 3.124465 60.84845 3.153796 9.898956       4.439449 
1 1 1 -31 7  19 o 13.60861 5.757868 2.467176       32.70551 2.467176       32.70551 0.000000       0.000000 13.60861 5.757868 ?        ?        ?              ?        
1 1 1 -31 7  20 o 54.44043 3.149461 362.0332       41.48204 362.0332       41.48204 0.000000       0.000000 54.44043 3.149461 ?        ?        ?              ?        
1 1 1 -31 9  1  o 320.0037 4.251855 12408.42       329.1622 12319.21       462.4472 12500.03       468.6256 318.8397 5.994975 321.1678 6.031033 -2.328033      8.503710 
1 1 1 -31 9  2  o 247.0374 3.478379 7390.673       207.8890 7351.941       292.7486 7430.074       295.2664 246.3850 4.911093 247.6899 4.927237 -1.304825      6.956759 
1 1 1 -31 9  3  o 209.9374 3.107009 5335.909       157.8015 5394.453       224.5628 5278.800       221.7931 211.0746 4.397436 208.8001 4.390511 2.274567       6.214019 
1 1 1 -31 9  4  o 106.9401 2.458731 1384.015       63.58881 1330.579       89.30364 1438.973       90.56596 104.8458 3.520593 109.0344 3.433200 -4.188614      4.917463 
1 1 1 -31 9  5  o 191.0216 2.936413 4417.394       135.6914 4457.411       193.6655 4378.806       190.1753 191.8704 4.171977 190.1727 4.133364 1.697693       5.872826 
1 1 1 -31 9  6  o 223.7306 3.232531 6050.807       174.7842 5819.582       240.4531 6309.856       254.5099 219.2093 4.533871 228.2519 4.608800 -9.042648      6.465062 
1 1 1 -31 9  7  o 327.6075 4.324929 13012.73       342.7929 12968.47       483.6294 13057.42       485.9437 327.0482 6.112216 328.1669 6.120528 -1.118744      8.649858 
1 1 1 -31 9  8  o 79.03489 2.458712 755.8382       46.99897 772.1871       67.52630 740.4767       65.45523 79.86307 3.494819 78.20671 3.459378 1.656357       4.917423 
1 1 1 -31 9  9  o 69.02516 2.456939 577.2407       40.98178 543.7441       57.85822 610.9669       58.05628 67.01257 3.568671 71.03775 3.377985 -4.025177      4.913877 
1 1 1 -31 9  10 o 111.3917 2.387986 1502.623       64.34501 1527.631       90.75019 1477.340       91.24701 112.3250 3.339402 110.4584 3.414426 1.866669       4.775972 
1 1 1 -31 9  11 o 309.7598 4.138074 11638.42       310.0348 11466.40       432.4506 11820.34       444.7176 307.4117 5.814520 312.1079 5.889482 -4.696259      8.276149 
1 1 1 -31 9  12 o 134.1441 3.003080 2205.356       93.56068 2272.995       117.9202 2090.422       153.7135 136.9884 3.557968 131.2998 4.838886 5.688522       6.006160 
1 1 1 -31 9  13 o 142.9955 2.580409 2477.319       89.26594 2440.824       125.5285 2514.655       126.9660 141.9298 3.655663 144.0612 3.642823 -2.131378      5.160818 
1 1 1 -31 9  14 o 71.18497 2.570957 614.9160       44.22817 629.6584       61.58615 599.2151       63.55655 72.07128 3.531982 70.29865 3.736896 1.772636       5.141915 
1 1 1 -31 9  15 o 68.33274 3.593107 566.5188       59.40203 566.5188       59.40203 0.000000       0.000000 68.33274 3.593107 ?        ?        ?              ?        
1 1 1 -31 9  16 o 129.1754 4.878154 2034.503       152.4536 2034.503       152.4536 0.000000       0.000000 129.1754 4.878154 ?        ?        ?              ?        
1 1 1 -31 9  17 o 38.67403 3.423464 186.4889       31.35485 160.0490       47.23652 207.3146       41.92249 36.12332 5.404904 41.22474 4.203266 -5.101418      6.846929 
1 1 1 -31 9  18 o 61.06958 3.231212 474.0818       39.21428 488.0146       44.64191 427.0078       82.05678 63.34492 2.912921 58.79424 5.768693 4.550682       6.462424 
1 1 1 -31 9  19 o 18.98494 4.474435 43.54752       27.03532 66.27862       31.36318 -22.18917      53.33519 22.66474 5.719509 15.30514 6.882551 7.359604       8.948871 
1 1 1 -31 9  20 o 50.23050 4.038725 310.8840       49.08107 310.8840       49.08107 0.000000       0.000000 50.23050 4.038725 ?        ?        ?              ?        
1 1 1 -31 11 1  o 224.5430 3.274498 6086.643       177.5282 5791.953       241.8315 6431.057       261.4391 218.6725 4.571054 230.4135 4.689864 -11.74101      6.548996 
1 1 1 -31 11 2  o 152.8718 2.683772 2819.693       99.06788 2989.800       145.7492 2673.608       135.0662 157.1413 3.833660 148.6024 3.756804 8.538864       5.367544 
1 1 1 -31 11 3  o 478.9481 6.091666 27859.11       705.5403 28369.68       1016.707 27384.86       979.8810 483.1575 8.697707 474.7388 8.531322 8.418732       12.18333 
1 1 1 -31 11 4  o 223.8021 3.259217 6062.334       176.3866 5922.370       244.7908 6213.481       254.3822 221.1196 4.575783 226.4846 4.642434 -5.365005      6.518434 
1 1 1 -31 11 5  o 136.3944 3.663127 2252.397       120.8790 0.000000       0.000000 2252.397       120.8790 ?        ?        136.3944 3.663127 ?              ?        
1 1 1 -31 11 6  o 219.2610 3.210635 5823.223       170.3054 5764.976       239.2548 5883.048       242.4740 218.1501 4.533178 220.3718 4.547858 -2.221664      6.421271 
1 1 1 -31 11 7  o 295.7549 3.995270 10601.20       285.7812 10780.69       410.6646 10432.65       397.9467 298.1760 5.692621 293.3337 5.607387 4.842285       7.990540 
1 1 1 -31 11 8  o 260.0633 3.611758 8198.119       227.2472 8216.714       321.8754 8179.638       320.8791 260.3571 5.109943 259.7695 5.105649 0.5876465      7.223516 
1 1 1 -31 11 9  o 100.8560 3.545835 1231.790       86.52121 0.000000       0.000000 1231.790       86.52121 ?        ?        100.8560 3.545835 ?              ?        
1 1 1 -31 11 10 o 280.2182 3.830662 9523.266       259.6747 9417.921       364.1140 9632.302       370.4386 278.6437 5.401144 281.7926 5.433557 -3.148926      7.661325 
1 1 1 -31 11 11 o 47.23563 3.450127 270.6395       39.34615 269.5048       57.46492 271.6410       53.98563 47.13853 5.038769 47.33273 4.714268 -0.1941948     6.900255 
1 1 1 -31 11 12 o 178.2614 2.863140 3851.326       123.4655 3820.978       172.9626 3882.857       176.2985 177.5475 4.026572 178.9753 4.071486 -1.427841      5.726280 
1 1 1 -31 11 13 o 24.72348 5.293347 74.67071       34.59300 63.04068       48.56874 86.64524       49.28286 23.14882 7.549314 26.29814 7.421991 -3.149321      10.58669 
1 1 1 -31 11 14 o 80.68127 2.594637 790.6244       50.52226 859.2723       71.76351 723.1659       71.13911 84.16662 3.524208 77.19594 3.809006 6.970680       5.189275 
1 1 1 -31 11 15 o 54.57243 3.096480 363.3828       40.46729 299.6188       56.39892 431.0457       58.09765 49.59998 4.699883 59.54488 4.032848 -9.944901      6.192961 
1 1 1 -31 11 16 o 96.17416 3.536606 1125.006       82.29005 0.000000       0.000000 1125.006       82.29005 ?        ?        96.17416 3.536606 ?              ?        
1 1 1 -31 11 17 o 176.6721 2.838105 3800.603       121.0941 3989.093       177.8721 3637.775       165.3215 180.7208 4.068154 172.6234 3.958470 8.097351       5.676210 
1 1 1 -31 11 18 o 73.87614 2.572852 664.1832       45.89116 712.0302       67.54132 623.1521       62.54596 76.33392 3.657208 71.41836 3.619821 4.915565       5.145704 
1 1 1 -31 11 19 o 39.09283 3.813964 192.2690       35.32512 179.3756       54.71458 201.4849       46.25801 37.82962 5.978177 40.35604 4.737793 -2.526421      7.627928 
1 1 1 -31 11 20 o 79.56345 4.888752 790.4818       94.10527 0.000000       0.000000 790.4818       94.10527 ?        ?        79.56345 4.888752 ?              ?        
1 1 1 -31 13 1  o 374.2232 4.883132 16999.78       442.0639 16842.01       619.7067 17163.24       630.7862 372.4612 6.877061 375.9852 6.934405 -3.523987      9.766265 
1 1 1 -31 13 2  o 522.8186 6.615459 33132.30       833.7819 34997.04       1244.213 31612.33       1123.324 536.0223 9.594213 509.6148 9.110887 26.40750       13.23092 
1 1 1 -31 13 3  o 118.2181 2.613096 1688.047       74.59005 1545.890       102.9079 1845.400       108.2686 112.9853 3.764652 123.4510 3.624980 -10.46574      5.226192 
1 1 1 -31 13 4  o 133.8052 2.621915 2167.166       84.85712 2208.890       121.6595 2127.636       118.4183 135.0583 3.723254 132.5521 3.692579 2.506165       5.243831 
1 1 1 -31 13 5  o 305.1278 4.117811 11291.59       303.9642 11364.63       432.8257 11220.52       426.9747 306.0984 5.844531 304.1572 5.802321 1.941162       8.235622 
1 1 1 -31 13 6  o 375.3572 4.897997 17109.17       444.7850 17233.48       632.2977 16987.40       625.7947 376.7044 6.937748 374.0099 6.915864 2.694550       9.795995 
1 1 1 -31 13 7  o 207.8537 3.128265 5234.925       157.3119 5213.830       222.1148 5256.157       222.8322 207.4334 4.425848 208.2740 4.422222 -0.8405762     6.256531 
1 1 1 -31 13 8  o 127.3073 2.588299 1961.730       79.69508 2023.277       114.3408 1903.583       111.1391 129.2481 3.656577 125.3665 3.664234 3.881676       5.176598 
1 1 1 -31 13 9  o 35.42595 4.799671 156.8254       40.06580 137.7035       58.28510 173.9559       55.16661 32.99869 7.474028 37.85321 6.023809 -4.854527      9.599342 
1 1 1 -31 13 10 o 50.94167 3.515197 317.2362       42.92600 271.4779       61.29348 361.2827       60.13612 47.29705 5.356460 54.58627 4.553545 -7.289219      7.030394 
1 1 1 -31 13 11 o 168.0522 2.832834 3423.568       115.1754 3398.994       162.3210 3448.484       163.4501 167.4449 4.006826 168.6596 4.005639 -1.214737      5.665668 
1 1 1 -31 13 12 o 89.22203 2.657091 964.1929       57.32130 1002.986       82.78227 928.4603       79.44952 90.94374 3.762376 87.50032 3.753007 3.443420       5.314183 
1 1 1 -31 13 13 o 112.8273 2.575735 1546.024       70.22647 1627.020       99.07284 1464.230       99.55942 115.8099 3.535953 109.8447 3.746288 5.965294       5.151470 
1 1 1 -31 13 14 o 26.27955 5.520338 86.33054       37.54779 85.09074       56.07166 87.33844       50.55672 26.23344 8.058038 26.32567 7.547487 -0.9222984E-01 11.04068 
1 1 1 -31 13 15 o 53.16686 3.294970 345.6287       41.61729 436.1808       60.55730 264.5842       57.28999 59.82375 4.183990 46.50998 5.091319 13.31377       6.589939 
1 1 1 -31 13 16 o 60.69656 3.040170 450.3998       44.61055 448.2698       64.26021 452.3813       61.97929 60.54509 4.386931 60.84804 4.210151 -0.3029442     6.080340 
1 1 1 -31 13 17 o 119.6948 3.668610 1749.981       106.2378 0.000000       0.000000 1749.981       106.2378 ?        ?        119.6948 3.668610 ?              ?        
1 1 1 -31 13 18 o 99.69040 4.634363 1226.651       111.7753 0.000000       0.000000 1226.651       111.7753 ?        ?        99.69040 4.634363 ?              ?        
1 1 1 -31 13 19 o 19.37202 5.154625 34.92936       35.10722 -4.712801      55.69319 61.06850       45.22401 16.69106 7.290226 22.05298 7.289254 -5.361916      10.30925 
1 1 1 -31 13 20 o 23.56042 6.492824 40.05366       51.42625 115.5741       92.44110 6.205830       61.88684 29.03678 10.38767 18.08405 7.792525 10.95272       12.98565 
1 1 1 -31 15 1  f 312.4058 4.211587 11825.14       317.9549 12235.00       463.3967 11460.53       437.0696 317.4994 6.032644 307.3122 5.878527 10.18723       8.423175 
1 1 1 -31 15 2  o 229.3294 3.366725 6370.845       186.7149 6508.354       268.9553 6242.920       259.4127 231.7130 4.797638 226.9459 4.724618 4.767120       6.733449 
1 1 1 -31 15 4  o 297.7769 4.052039 10753.43       291.8158 10951.88       419.6210 10567.56       406.0913 300.4294 5.773144 295.1244 5.687433 5.305084       8.104078 
1 1 1 -31 15 5  o 159.7275 2.827553 3082.664       109.1199 2919.487       149.7688 3267.295       159.3104 155.2349 3.987766 164.2202 4.009730 -8.985336      5.655105 
1 1 1 -31 15 6  o 158.5865 2.819590 3043.710       108.1198 3151.707       156.1257 2944.188       149.8747 161.2857 4.001071 155.8872 3.973887 5.398544       5.639179 
1 1 1 -31 15 7  o 140.2952 3.878324 2384.726       131.6404 2384.726       131.6404 0.000000       0.000000 140.2952 3.878324 ?        ?        ?              ?        
1 1 1 -31 15 8  o 170.6864 2.881662 3530.171       118.9851 3596.484       169.7559 3466.129       166.8233 172.2619 4.073176 169.1110 4.077393 3.150955       5.763323 
1 1 1 -31 15 9  o 104.0121 2.732296 1311.169       68.75343 1294.604       96.78682 1328.042       97.68346 103.3486 3.870875 104.6756 3.857212 -1.326904      5.464591 
1 1 1 -31 15 10 o 109.8420 2.701008 1460.267       71.69501 1409.875       98.52275 1516.988       104.5276 107.8343 3.776393 111.8497 3.862725 -4.015388      5.402017 
1 1 1 -31 15 11 o 203.6656 3.119100 5035.083       153.6413 4951.808       213.9904 5123.688       220.7296 201.9339 4.380086 205.3974 4.441845 -3.463516      6.238200 
1 1 1 -31 15 12 o 78.60806 2.828769 750.1909       53.73951 799.6403       76.87720 702.9379       75.15050 81.14683 3.915829 76.06930 4.083383 5.077530       5.657538 
1 1 1 -31 15 13 o 63.61646 3.165245 490.2988       48.58060 529.5757       72.04037 457.5409       65.79086 65.93694 4.515905 61.29597 4.436407 4.640972       6.330490 
1 1 1 -31 15 14 o 52.22218 3.791869 334.1813       47.84851 334.4487       69.42596 333.9395       66.03717 52.22534 5.494629 52.21902 5.227059 0.6317139E-02  7.583739 
1 1 1 -31 15 15 o 85.52357 2.827741 891.0928       58.42564 927.7499       85.46644 858.9335       80.05174 87.16055 4.052969 83.88661 3.944353 3.273933       5.655483 
1 1 1 -31 15 16 o 31.85043 5.148788 117.6057       41.84961 217.9793       66.63349 52.22179       53.77968 41.79431 6.589814 21.90656 7.912928 19.88775       10.29758 
1 1 1 -31 15 17 o 22.48734 5.804674 54.39701       39.75814 61.55201       66.65126 50.44480       49.53633 23.76307 8.773839 21.21161 7.602414 2.551460       11.60935 
1 1 1 -31 15 18 o 20.87596 5.473041 40.17304       40.94996 -21.26096      65.71963 79.16322       52.35622 17.06981 7.660887 24.68212 7.818408 -7.612314      10.94608 
1 1 1 -31 15 19 o 60.33079 3.635373 460.1431       52.30404 450.5378       80.47818 467.1672       68.82054 59.56463 5.584540 61.09695 4.655820 -1.532326      7.270746 
1 1 1 -31 15 20 o 84.70196 5.184572 638.7791       77.29573 2086.853       169.4507 258.2986       86.85885 127.1623 5.507854 42.24157 8.785368 84.92078       10.36914 
1 1 1 -31 17 1  o 111.0012 2.794888 1490.767       74.99275 1557.653       108.8046 1430.239       103.5052 113.3682 3.966922 108.6341 3.938164 4.734123       5.589777 
1 1 1 -31 17 2  o 203.7238 3.177383 5025.695       156.4769 4872.095       215.9533 5195.480       227.0468 200.4554 4.452868 206.9923 4.533763 -6.536926      6.354766 
1 1 1 -31 17 3  o 258.1009 3.668981 8081.108       229.0526 7959.644       319.7281 8209.173       328.3005 256.1137 5.159953 260.0881 5.217335 -3.974457      7.337963 
1 1 1 -31 17 4  o 116.8319 2.820923 1650.374       79.63811 1553.478       109.6935 1758.370       115.8055 113.2136 4.004792 120.4502 3.973922 -7.236633      5.641846 
1 1 1 -31 17 5  o 36.70302 5.418481 170.3447       46.46586 167.8542       68.13761 172.5098       63.52943 36.40874 7.957511 36.99729 7.356479 -0.5885506     10.83696 
1 1 1 -31 17 7  o 154.4588 3.365183 2878.458       120.6860 2834.814       150.2692 2957.763       202.5610 152.8913 4.062421 156.0264 5.366057 -3.135162      6.730366 
1 1 1 -31 17 8  o 94.40287 2.846653 1080.394       64.98570 1035.780       90.66831 1127.525       93.19093 92.39814 4.055926 96.40760 3.995398 -4.009460      5.693306 
1 1 1 -31 17 9  f 196.3989 3.087314 4684.180       146.6904 4657.246       206.2496 4711.750       208.6749 195.8299 4.353231 196.9679 4.378974 -1.138000      6.174628 
1 1 1 -31 17 10 o 145.4240 2.781449 2567.958       97.85784 2596.965       138.7512 2539.249       138.0354 146.2428 3.921570 144.6052 3.945519 1.637543       5.562898 
1 1 1 -31 17 11 o 70.29738 3.168001 601.0367       53.85239 617.7380       77.69344 585.5928       74.71162 71.23375 4.508129 69.36102 4.452156 1.872734       6.336002 
1 1 1 -31 17 12 o 24.79551 5.674365 63.82392       46.14180 -22.90387      71.09272 126.9495       60.65249 18.19187 8.078884 31.39916 7.970275 -13.20729      11.34873 
1 1 1 -31 17 13 o 45.76099 4.272917 253.8222       46.86244 289.5861       72.60738 228.2867       61.35227 48.45795 6.193176 43.06403 5.888621 5.393917       8.545835 
1 1 1 -31 17 14 o 83.55599 3.076199 852.4960       62.03455 940.4984       89.95171 772.6808       85.66537 87.68267 4.240268 79.42931 4.457817 8.253357       6.152398 
1 1 1 -31 17 15 o 94.92987 2.908443 1100.793       66.68166 1191.316       97.31227 1020.664       91.55506 98.60729 4.079024 91.25244 4.147014 7.354851       5.816886 
1 1 1 -31 17 16 f 89.36958 4.009902 981.3082       86.70134 0.000000       0.000000 981.3082       86.70134 ?        ?        89.36958 4.009902 ?              ?        
1 1 1 -31 17 17 o 40.15425 5.491138 223.3709       50.45085 166.7006       78.85424 262.6451       65.64484 34.70173 9.231236 45.60678 5.949342 -10.90504      10.98228 
1 1 1 -31 17 18 o 94.94006 2.994602 1110.234       68.39025 1233.404       103.7165 1015.480       90.96919 99.50469 4.308261 90.37543 4.160463 9.129257       5.989204 
1 1 1 -31 17 19 o 39.11621 5.488279 242.4152       52.89231 78.14970       80.54469 366.9592       70.13342 24.84029 9.539777 53.39214 5.429319 -28.55185      10.97656 
1 1 1 -31 17 20 o 32.03671 7.116090 189.5632       72.15453 43.08150       139.3830 243.1886       84.33408 24.38887 11.03184 39.68455 8.991858 -15.29567      14.23218 
1 1 1 -31 19 1  o 86.30976 3.070806 904.6845       64.09357 896.1161       91.79390 912.8359       89.53239 85.90545 4.416627 86.71407 4.267645 -0.8086243     6.141612 
1 1 1 -31 19 2  o 174.7215 2.992306 3705.552       126.4634 3708.910       177.1001 3702.058       180.6452 174.8085 4.187492 174.6345 4.275570 0.1739502      5.984613 
1 1 1 -31 19 3  o 70.33226 3.459219 606.3196       57.83024 472.1818       81.04572 745.4611       82.54348 62.30502 5.376563 78.35950 4.354004 -16.05447      6.918437 
1 1 1 -31 19 4  o 58.83047 3.832296 423.5881       53.94016 349.2736       75.86908 499.5464       76.70356 53.55336 5.855659 64.10759 4.945427 -10.55423      7.664593 
1 1 1 -31 19 5  o 158.0229 2.869421 3029.502       109.6642 2975.168       152.6476 3087.455       157.6504 156.5631 4.029937 159.4828 4.085818 -2.919632      5.738841 
1 1 1 -31 19 6  o 154.7272 3.988498 2906.409       149.3064 2906.409       149.3064 0.000000       0.000000 154.7272 3.988498 ?        ?        ?              ?        
1 1 1 -31 19 7  o 99.95753 2.828657 1213.400       68.40251 1218.997       97.35828 1207.944       96.12503 100.1835 4.016745 99.73154 3.983838 0.4519882      5.657314 
1 1 1 -31 19 8  o 156.5480 2.866496 2978.382       108.5605 2931.745       152.7006 3026.044       154.3685 155.3071 4.063937 157.7888 4.043714 -2.481644      5.732992 
1 1 1 -31 19 9  o 62.94362 3.569404 483.5968       54.20783 531.2574       77.49303 437.9286       75.85606 66.00204 4.852918 59.88520 5.235625 6.116840       7.138808 
1 1 1 -31 19 10 o 72.33142 3.352157 632.5872       58.29199 741.3611       86.96618 543.8489       78.54950 77.94047 4.611955 66.72237 4.865973 11.21810       6.704314 
1 1 1 -31 19 11 o 100.9961 2.864530 1235.325       69.72652 1390.784       103.3498 1105.447       94.46453 106.7977 3.999866 95.19454 4.101611 11.60316       5.729061 
1 1 1 -31 19 12 o 26.30301 6.088356 73.23811       46.80353 133.7109       72.69061 30.41411       61.17051 32.00522 9.007293 20.60079 8.193961 11.40443       12.17671 
1 1 1 -31 19 13 o 49.86514 4.446676 316.0371       52.15672 272.5871       80.20393 347.8763       68.65650 46.64020 7.107762 53.09007 5.345226 -6.449867      8.893353 
1 1 1 -31 19 14 o 56.34306 4.094173 395.0244       55.78566 399.1737       80.23797 391.1421       77.61315 56.61051 5.858421 56.07560 5.720830 0.5349045      8.188346 
1 1 1 -31 19 15 o 68.86040 3.676847 591.5114       61.04299 571.4054       89.14925 609.2594       83.75838 67.66241 5.445878 70.05839 4.941580 -2.395981      7.353693 
1 1 1 -31 19 16 f 100.2794 3.128970 1239.616       75.63144 1391.461       112.0893 1112.704       102.4743 105.9070 4.374588 94.65172 4.474907 11.25529       6.257940 
1 1 1 -31 19 17 o 52.25089 4.771081 359.6448       59.50609 310.1702       86.55224 403.9926       81.94527 48.43169 7.386630 56.07010 6.040741 -7.638409      9.542162 
1 1 1 -31 19 18 o 78.40238 3.639464 789.0507       68.95761 773.3452       99.18997 803.7416       95.93313 77.52221 5.288583 79.28255 5.001367 -1.760345      7.278927 
1 1 1 -31 19 19 o 55.23170 7.459153 497.0084       89.55000 501.2493       159.6756 495.0625       108.1607 51.62150 12.83866 58.84190 7.597672 -7.220398      14.91831 
1 1 1 -31 21 1  f 48.08160 4.536839 290.5772       51.43425 238.1990       76.99302 332.7913       69.12022 43.98071 7.235805 52.18250 5.474923 -8.201786      9.073679 
1 1 1 -31 21 2  o 144.2871 4.102166 2532.593       143.2000 0.000000       0.000000 2532.593       143.2000 ?        ?        144.2871 4.102166 ?              ?        
1 1 1 -31 21 3  o 182.3100 3.039181 4045.244       134.0458 4088.713       190.4750 4002.592       188.6766 183.2809 4.295547 181.3391 4.300553 1.941803       6.078362 
1 1 1 -31 21 4  o 156.8418 2.900863 2987.394       109.9676 3162.468       159.3911 2828.362       151.9135 161.2223 4.086361 152.4613 4.118455 8.760956       5.801726 
1 1 1 -31 21 5  o 46.69540 4.515756 268.3712       50.62918 261.9624       75.90517 273.5076       67.95383 46.14608 6.798831 47.24471 5.945089 -1.098637      9.031511 
1 1 1 -31 21 6  o 17.42970 5.424384 -18.39152      43.23335 2.687979       70.01498 -31.38212      54.96363 19.68783 8.381166 15.17157 6.888529 4.516260       10.84877 
1 1 1 -31 21 7  o 25.74250 6.100106 79.98513       45.57125 41.34656       77.66544 100.2730       56.27760 23.45996 9.263872 28.02505 7.938882 -4.565096      12.20021 
1 1 1 -31 21 8  o 60.84862 4.863271 408.9831       65.74514 590.9578       127.5267 343.1095       76.72752 68.90742 7.649494 52.78982 6.007567 16.11760       9.726542 
1 1 1 -31 21 9  o 68.87041 3.534240 581.5082       58.69144 584.9517       86.71808 578.5975       79.72648 69.02081 5.193107 68.72000 4.795314 0.3008118      7.068480 
1 1 1 -31 21 10 o 77.07997 3.284507 730.0605       61.09348 701.1641       88.49215 756.3762       84.44810 75.57511 4.839758 78.58482 4.441697 -3.009712      6.569013 
1 1 1 -31 21 11 o 21.83258 6.065372 36.59483       46.83148 55.63347       70.74268 21.74236       62.48312 23.73510 8.982007 19.93007 8.153436 3.805029       12.13074 
1 1 1 -31 21 12 o 55.14754 4.117606 378.8254       54.80027 374.4120       80.08976 382.7106       75.14494 54.78576 6.042367 55.50934 5.595403 -0.7235832     8.235212 
1 1 1 -31 21 13 o 29.84601 6.517866 118.8052       51.68353 112.9546       78.16614 123.3499       68.89220 29.35377 9.577409 30.33825 8.843277 -0.9844856     13.03573 
1 1 1 -31 21 14 o 84.01605 3.264415 870.3286       66.11298 975.2294       97.98753 782.6693       89.57369 88.65374 4.568477 79.37836 4.664187 9.275375       6.528831 
1 1 1 -31 21 15 o 86.16039 3.367016 929.1459       70.03767 923.7913       102.2189 933.8842       96.15539 85.82806 4.922658 86.49272 4.595066 -0.6646576     6.734033 
1 1 1 -31 21 16 o 27.64629 6.904143 94.26113       61.74628 167.6499       90.82008 31.18124       84.20007 33.40886 10.25418 21.88372 9.247737 11.52514       13.80829 
1 1 1 -31 21 17 o 36.01137 7.260694 205.9746       67.28736 249.3621       97.20989 166.0652       93.23210 39.86460 10.07460 32.15815 10.45816 7.706451       14.52139 
1 1 1 -31 23 1  o 132.2259 2.902383 2135.595       92.84673 2123.229       131.3609 2147.939       131.2494 131.8391 4.118313 132.6126 4.090818 -0.7735138     5.804765 
1 1 1 -31 23 2  o 22.92040 6.209364 47.54908       48.47996 25.19449       76.30631 62.68009       62.77853 21.94819 8.998272 23.89261 8.558966 -1.944427      12.41873 
1 1 1 -31 23 3  o 60.67472 3.925528 454.7446       57.01574 441.3310       86.41656 465.0848       75.87323 59.79708 5.973305 61.55237 5.094968 -1.755295      7.851055 
1 1 1 -31 23 4  o 111.9991 2.942403 1532.602       79.67176 1456.088       111.9333 1611.173       113.4274 109.1449 4.238904 114.8534 4.081988 -5.708488      5.884805 
1 1 1 -31 23 5  o 16.64589 5.363889 -36.36492      46.55817 -42.78338      74.80925 -32.30717      59.48161 17.51260 7.984197 15.77918 7.165041 1.733425       10.72778 
1 1 1 -31 23 6  o 71.94169 3.512702 630.2254       60.84113 695.8215       91.72972 578.7022       81.29662 75.23807 5.039299 68.64531 4.895074 6.592758       7.025403 
1 1 1 -31 23 7  o 48.54156 5.200122 319.8838       55.06796 226.4471       87.24650 381.7567       70.99689 41.43095 8.964425 55.65216 5.272966 -14.22121      10.40024 
1 1 1 -31 23 8  o 62.77179 3.963643 482.6813       59.83151 562.0827       89.57838 418.7273       80.39385 67.41242 5.492385 58.13116 5.716254 9.281261       7.927286 
1 1 1 -31 23 9  o 38.50785 5.978303 193.9655       54.40678 249.4567       80.88189 148.1059       73.52834 43.70086 7.942523 33.31485 8.937379 10.38601       11.95661 
1 1 1 -31 23 10 o 75.26512 3.593418 703.2211       65.29861 673.4200       94.02390 730.9860       90.75519 73.65218 5.276555 76.87807 4.879403 -3.225891      7.186835 
1 1 1 -31 23 11 o 89.05956 4.786554 983.3287       103.1349 983.3287       103.1349 0.000000       0.000000 89.05956 4.786554 ?        ?        ?              ?        
1 1 1 -31 23 12 o 103.9523 4.527510 1341.048       113.8665 0.000000       0.000000 1341.048       113.8665 ?        ?        103.9523 4.527510 ?              ?        
1 1 1 -31 23 13 o 77.62071 3.548295 755.2556       66.52927 774.6632       97.30896 738.2215       91.16454 78.49553 5.123958 76.74589 4.909853 1.749641       7.096591 
1 1 1 -31 23 14 o 37.02093 6.467157 198.6421       58.78672 146.6584       82.89230 251.2441       83.38383 31.67241 9.808920 42.36945 8.430988 -10.69704      12.93431 
1 1 1 -31 23 15 o 41.26920 6.704745 256.2264       65.81029 221.2518       92.87054 291.5029       93.27035 37.88980 9.989037 44.64859 8.946148 -6.758793      13.40949 
1 1 1 -31 23 16 o 58.66537 5.131308 485.2759       71.15297 501.1670       92.93957 462.7718       110.5999 60.80776 6.317414 56.52297 8.087742 4.284786       10.26262 
1 1 1 -31 25 1  o 44.15155 5.597294 256.9091       57.48265 217.3649       85.04475 290.1708       77.99720 40.28028 8.958340 48.02282 6.713192 -7.742538      11.19459 
1 1 1 -31 25 2  o 91.35182 3.206491 1020.326       70.61320 1133.854       105.0397 926.7156       95.38178 95.95866 4.524460 86.74498 4.544842 9.213676       6.412982 
1 1 1 -31 25 3  o 77.24414 3.607020 727.9140       66.82924 875.6368       100.8911 612.4290       89.20561 84.17848 4.953928 70.30980 5.244137 13.86868       7.214040 
1 1 1 -31 25 4  o 123.0555 3.028937 1862.376       90.14861 1831.417       128.3498 1892.519       126.6461 122.0158 4.347873 124.0951 4.218273 -2.079323      6.057873 
1 1 1 -31 25 5  o 45.86237 5.105289 262.5850       55.62109 288.6637       88.94360 245.8369       71.27779 47.54745 7.731882 44.17730 6.668878 3.370148       10.21058 
1 1 1 -31 25 6  o 53.67474 4.973453 365.6269       64.42715 362.1299       94.12936 368.7091       88.37058 53.33937 7.294153 54.01010 6.762861 -0.6707230     9.946906 
1 1 1 -31 25 7  o 18.66079 5.869687 -24.70787      53.03170 10.80305       82.10371 -50.12865      69.46664 21.17431 9.046415 16.14726 7.481662 5.027056       11.73937 
1 1 1 -31 25 8  o 63.27436 4.119203 497.2424       62.64013 582.5788       94.17513 429.5316       83.88770 68.13107 5.713322 58.41765 5.935426 9.713413       8.238405 
1 1 1 -31 25 9  o 38.10982 6.597790 202.4068       60.68945 172.8920       86.08252 231.5748       85.57540 35.11399 9.773759 41.10566 8.865492 -5.991669      13.19558 
1 1 1 -31 25 10 o 22.46274 6.357337 30.96730       56.74551 -33.41426      82.75693 88.09921       77.95840 18.48525 8.415998 26.44024 9.530684 -7.954988      12.71467 
1 1 1 -31 25 11 f 24.24996 6.883507 58.04045       61.66253 52.44210       88.69076 63.27853       85.78955 23.95472 9.747091 24.54520 9.722392 -0.5904846     13.76701 
1 1 1 -31 25 12 f 28.31994 7.028944 113.7549       60.13908 95.07607       88.34863 129.8827       82.09434 26.80025 10.06042 29.83964 9.818967 -3.039396      14.05789 
1 1 1 -31 25 13 o 89.22361 5.175319 1024.607       111.7170 0.000000       0.000000 1024.607       111.7170 ?        ?        89.22361 5.175319 ?              ?        
1 1 1 -31 25 14 o 26.37263 7.213434 87.04173       68.14658 22.88366       88.78615 179.0285       106.3120 20.76672 9.133964 31.97854 11.16715 -11.21181      14.42687 
1 1 1 -31 27 4  o 45.90653 8.890767 332.8435       104.2505 389.8870       136.5674 253.1826       161.3862 51.66020 11.24578 40.15287 13.77372 11.50733       17.78153 
1 1 1 -31 27 5  o 41.49395 8.797463 271.9632       97.27495 309.5776       123.8139 211.3028       157.2335 45.74566 11.26238 37.24224 13.51814 8.503422       17.59493 
1 1 1 -31 27 6  o 34.95108 9.151830 155.1651       104.1894 72.70672       132.8635 286.8531       167.9041 28.10575 11.73013 41.79640 14.05091 -13.69065      18.30366 
1 1 1 -31 27 7  o 27.30167 7.942334 42.43062       99.33617 157.7632       120.8563 -197.7394      174.4025 32.83819 11.86205 21.76514 10.56478 11.07305       15.88467 
1 1 1 -31 27 8  o 37.51465 8.996833 167.8058       102.5617 42.58179       125.2635 422.4866       178.6400 25.60877 11.06054 49.42052 14.19283 -23.81175      17.99367 
1 1 1 -31 27 9  o 36.13465 9.033016 217.8889       111.9164 324.6877       145.3453 62.34384       175.4067 43.74765 12.87148 28.52165 12.67701 15.22600       18.06603 
1 1 1 -31 27 10 o 20.73479 7.097476 -136.6351      107.6507 -136.5854      141.1653 -136.7043      166.4137 19.84137 9.600935 21.62821 10.45556 -1.786844      14.19495 
1 1 1 -31 27 11 o 57.61597 9.261093 588.8655       121.1949 558.3582       149.0871 648.3046       208.1009 58.73693 10.89231 56.49501 14.98095 2.241920       18.52219 
1 1 1 -31 27 12 o 49.47601 8.614617 512.3231       115.0580 626.0559       145.2184 320.5235       188.5830 63.01740 9.524867 35.93463 14.35700 27.08277       17.22923 
1 1 1 -30 0  1  o 229.9306 3.275413 6404.302       257.4437 6404.302       257.4437 6404.302       257.4437 229.9306 4.632134 229.9306 4.632134 0.000000       0.000000 
1 1 1 -30 0  2  o 235.8035 3.343489 6735.576       269.5091 6735.576       269.5091 6735.576       269.5091 235.8035 4.728408 235.8035 4.728408 0.000000       0.000000 
1 1 1 -30 0  3  o 357.9085 6.593308 15538.37       806.1689 15538.37       806.1689 15538.37       806.1689 357.9085 9.324347 357.9085 9.324347 0.000000       0.000000 
1 1 1 -30 0  4  o 547.4844 6.852100 36322.16       1282.643 36322.16       1282.643 36322.16       1282.643 547.4844 9.690332 547.4844 9.690332 0.000000       0.000000 
1 1 1 -30 0  5  o 277.9930 3.760006 9361.129       357.3395 9361.129       357.3395 9361.129       357.3395 277.9930 5.317451 277.9930 5.317451 0.000000       0.000000 
1 1 1 -30 0  6  o 1239.810 15.23822 187013.3       6459.675 187013.3       6459.675 187013.3       6459.675 1239.810 21.55010 1239.810 21.55010 0.000000       0.000000 
1 1 1 -30 0  7  o 244.3018 3.403883 7230.479       284.2746 7230.479       284.2746 7230.479       284.2746 244.3018 4.813818 244.3018 4.813818 0.000000       0.000000 
1 1 1 -30 0  8  o 55.99036 2.286140 383.0775       43.46175 383.0775       43.46175 383.0775       43.46175 55.99036 3.233090 55.99036 3.233090 0.000000       0.000000 
1 1 1 -30 0  9  o 125.8526 2.305242 1920.327       99.11439 1920.327       99.11439 1920.327       99.11439 125.8526 3.260104 125.8526 3.260104 0.000000       0.000000 
1 1 1 -30 0  10 o 179.2808 2.754754 3895.261       168.7993 3895.261       168.7993 3895.261       168.7993 179.2808 3.895811 179.2808 3.895811 0.000000       0.000000 
1 1 1 -30 0  11 o 24.73885 4.711779 88.46592       34.46789 88.46592       34.46789 88.46592       34.46789 24.73885 6.663462 24.73885 6.663462 0.000000       0.000000 
1 1 1 -30 0  12 o 10.07725 4.406602 8.676198       30.02240 8.676198       30.02240 8.676198       30.02240 10.07725 6.231877 10.07725 6.231877 0.000000       0.000000 
1 1 1 -30 0  13 f 227.5664 3.232508 6277.722       251.4603 6277.722       251.4603 6277.722       251.4603 227.5664 4.571457 227.5664 4.571457 0.000000       0.000000 
1 1 1 -30 0  14 o 114.4202 2.285295 1588.327       89.30545 1588.327       89.30545 1588.327       89.30545 114.4202 3.231896 114.4202 3.231896 0.000000       0.000000 
1 1 1 -30 0  15 o 250.7940 3.485043 7629.029       298.7887 7629.029       298.7887 7629.029       298.7887 250.7940 4.928596 250.7940 4.928596 0.000000       0.000000 
1 1 1 -30 0  16 o 22.50559 4.474587 74.27914       29.82700 74.27914       29.82700 74.27914       29.82700 22.50559 6.328022 22.50559 6.328022 0.000000       0.000000 
1 1 1 -30 2  1  o 87.42607 2.782077 878.9398       54.93901 805.4874       65.54308 1052.469       100.7419 81.59270 3.320269 93.25943 4.464933 -11.66673      5.564154 
1 1 1 -30 2  2  o 281.6916 4.426532 9390.204       254.4631 9211.663       288.9472 10007.14       537.1182 275.9079 4.328646 287.4752 7.722665 -11.56726      8.853064 
1 1 1 -30 2  3  o 175.3044 3.350507 3727.963       134.0310 3746.200       164.4272 3691.850       231.3811 175.9561 3.862488 174.6527 5.475835 1.303391       6.701013 
1 1 1 -30 2  4  o 522.8619 7.551172 33363.08       836.7019 33608.43       973.7859 32671.03       1635.472 526.8192 7.640111 518.9047 13.02726 7.914490       15.10234 
1 1 1 -30 2  5  o 359.3165 5.440105 15256.19       396.7354 14950.83       449.3648 16335.51       844.8401 351.4660 5.284617 367.1669 9.510616 -15.70096      10.88021 
1 1 1 -30 2  6  o 517.6538 7.499022 32604.46       817.1586 32716.10       946.7792 32278.41       1617.992 519.7195 7.529696 515.5882 12.97093 4.131287       14.99804 
1 1 1 -30 2  7  o 416.9109 6.166640 20951.61       534.0119 20837.72       613.2755 21308.75       1086.010 414.8146 6.110817 419.0072 10.71297 -4.192627      12.33328 
1 1 1 -30 2  8  o 215.3768 3.582641 5581.680       160.6304 5548.210       184.6301 5685.901       325.8024 214.1096 3.564216 216.6441 6.215918 -2.534485      7.165282 
1 1 1 -30 2  9  o 107.9584 2.591236 1461.033       58.99079 1517.907       69.06128 1307.555       113.4489 112.0004 2.548665 103.9165 4.512462 8.083946       5.182471 
1 1 1 -30 2  10 o 392.3574 5.821617 18782.63       481.6068 18875.99       558.7372 18512.79       949.9458 394.6357 5.852062 390.0791 10.06570 4.556580       11.64323 
1 1 1 -30 2  11 o 167.9441 3.082966 3457.730       109.2562 3502.234       127.0453 3331.350       214.0893 170.0975 3.087154 165.7907 5.337434 4.306808       6.165932 
1 1 1 -30 2  12 f 135.0532 2.405209 2193.111       78.31388 2412.149       116.6798 2013.541       105.6456 141.1469 3.416819 128.9594 3.386070 12.18750       4.810418 
1 1 1 -30 2  13 o 126.9268 2.344954 1932.160       71.66266 2163.737       107.7916 1748.729       95.93420 133.6770 3.332926 120.1767 3.299522 13.50039       4.689909 
1 1 1 -30 2  14 o 170.6176 2.692515 3523.107       111.0854 3415.599       154.1096 3639.379       160.2681 167.9118 3.793553 173.3232 3.821977 -5.411392      5.385030 
1 1 1 -30 2  15 o 214.0342 3.099711 5549.519       160.4064 5712.723       232.0506 5400.170       221.9819 217.0404 4.419161 211.0280 4.347856 6.012360       6.199422 
1 1 1 -30 2  16 o 146.7408 2.465831 2592.729       87.23168 2843.513       130.0918 2387.853       117.5829 153.1413 3.511198 140.3402 3.463058 12.80110       4.931661 
1 1 1 -30 2  17 o 38.65534 3.279124 181.2788       30.66689 181.2788       30.66689 0.000000       0.000000 38.65534 3.279124 ?        ?        ?              ?        
1 1 1 -30 4  1  o 341.2632 5.127921 14308.21       374.5196 14552.61       439.3521 13658.54       716.3292 346.7537 5.237081 335.7728 8.817895 10.98096       10.25584 
1 1 1 -30 4  2  o 277.8209 4.355904 9327.396       253.0144 9311.589       291.7345 9375.372       508.2376 277.3957 4.346961 278.2460 7.549802 -0.8502808     8.711807 
1 1 1 -30 4  3  o 39.55200 3.396641 164.1986       29.39045 135.1615       33.87578 252.5878       59.10336 33.42101 4.189551 45.68299 5.347556 -12.26199      6.793283 
1 1 1 -30 4  4  o 279.7874 4.371485 9473.059       295.9099 9473.059       295.9099 0.000000       0.000000 279.7874 4.371485 ?        ?        ?              ?        
1 1 1 -30 4  5  o 523.1610 7.499292 33846.23       848.3447 34695.86       1003.575 31719.21       1587.898 535.1952 7.750602 511.1268 12.84078 24.06836       14.99858 
1 1 1 -30 4  6  o 311.1946 4.826287 11362.27       302.4756 11080.68       341.1465 12397.38       654.0692 302.5657 4.660355 319.8234 8.453005 -17.25772      9.652575 
1 1 1 -30 4  7  o 42.21445 3.375441 202.4491       29.27982 191.6339       33.10675 241.2850       62.73561 39.79353 3.438759 44.63538 5.809418 -4.841850      6.750882 
1 1 1 -30 4  8  o 153.2824 2.936708 2634.309       89.02067 2494.583       99.11878 3217.133       202.4355 143.5777 2.853426 162.9871 5.133709 -19.40936      5.873415 
1 1 1 -30 4  9  o 119.6752 2.707144 1750.600       67.11213 1766.600       77.25201 1701.368       135.5079 120.8245 2.642729 118.5259 4.725515 2.298553       5.414288 
1 1 1 -30 4  10 o 94.98170 2.584973 1035.232       49.56366 992.3329       55.75281 1196.907       108.2347 90.55394 2.544820 99.40945 4.500248 -8.855515      5.169946 
1 1 1 -30 4  11 o 164.9446 3.094063 3398.094       108.4858 3519.279       127.4383 3079.120       206.7542 170.5079 3.089249 159.3813 5.361852 11.12668       6.188127 
1 1 1 -30 4  12 o 162.9746 3.087780 3253.487       105.2627 3289.604       121.8031 3146.937       209.2105 164.8443 3.054092 161.1050 5.367502 3.739334       6.175561 
1 1 1 -30 4  13 o 265.3827 4.199019 8633.485       236.1165 8728.849       275.0646 8366.448       460.2891 268.4039 4.235879 262.3615 7.251508 6.042450       8.398038 
1 1 1 -30 4  14 o 233.8038 3.804586 6782.326       191.1876 6969.286       225.5153 6304.581       360.4955 239.8331 3.886553 227.7745 6.541729 12.05864       7.609173 
1 1 1 -30 4  15 o 70.59768 2.349165 595.2242       39.54141 758.0071       59.58860 467.1523       52.85499 79.10569 3.113530 62.08966 3.518555 17.01603       4.698329 
1 1 1 -30 4  16 o 71.98978 2.188646 628.1379       38.11852 627.9668       54.11003 628.3066       53.70769 71.97950 3.107182 72.00005 3.083197 -0.2055359E-01 4.377292 
1 1 1 -30 4  17 f 15.53280 3.731302 20.38048       16.89218 46.25087       29.02536 7.130321       20.77240 19.34388 5.767269 11.72172 4.735933 7.622159       7.462604 
1 1 1 -30 4  18 o 54.77854 2.905285 364.3512       38.50362 364.3512       38.50362 0.000000       0.000000 54.77854 2.905285 ?        ?        ?              ?        
1 1 1 -30 6  2  o 263.6454 3.630133 8402.840       231.3455 8667.307       335.8940 8164.165       319.0959 267.5850 5.188457 259.7057 5.078522 7.879242       7.260267 
1 1 1 -30 6  3  o 488.4256 6.164087 28860.41       727.3575 29852.55       1063.474 27988.39       997.0168 496.2835 8.857165 480.5677 8.575227 15.71579       12.32817 
1 1 1 -30 6  4  o 216.3011 4.442385 5662.632       232.4756 0.000000       0.000000 5662.632       232.4756 ?        ?        216.3011 4.442385 ?              ?        
1 1 1 -30 6  5  o 197.6342 2.960382 4721.012       141.4370 4887.382       205.1192 4570.210       195.2869 200.9483 4.219100 194.3201 4.153872 6.628143       5.920764 
1 1 1 -30 6  6  o 304.8739 4.935279 11419.40       350.5646 11884.13       444.9933 10659.13       569.1591 313.2411 5.871815 296.5067 7.934086 16.73450       9.870559 
1 1 1 -30 6  7  o 92.00729 2.790524 992.4273       57.99962 1114.099       105.0675 939.1002       69.55815 95.92576 4.527211 88.08882 3.263810 7.836937       5.581048 
1 1 1 -30 6  8  o 350.3564 6.472968 14880.06       548.6758 14880.06       548.6758 0.000000       0.000000 350.3564 6.472968 ?        ?        ?              ?        
1 1 1 -30 6  9  o 252.8447 3.499489 7732.175       213.8462 8006.638       311.2859 7486.883       294.2786 257.0829 5.004768 248.6065 4.892646 8.476349       6.998978 
1 1 1 -30 6  10 o 109.7117 2.286672 1456.917       60.69211 1442.745       85.25614 1471.478       86.41888 109.1709 3.227873 110.2524 3.239801 -1.081474      4.573344 
1 1 1 -30 6  11 o 283.9705 3.838596 9770.853       263.6122 9588.283       366.4095 9966.747       379.5454 281.2273 5.385262 286.7137 5.471584 -5.486328      7.677192 
1 1 1 -30 6  12 o 280.7577 4.415082 9613.432       260.2318 9661.188       301.2297 9472.933       516.6752 282.3713 4.409353 279.1440 7.650450 3.227234       8.830163 
1 1 1 -30 6  13 o 208.8599 3.573477 5418.387       159.1622 5570.953       186.9197 5016.062       303.5392 214.4642 3.602451 203.2556 6.172626 11.20862       7.146955 
1 1 1 -30 6  14 o 224.5431 3.732865 6227.463       178.2932 6351.908       208.6378 5890.542       343.2968 228.9563 3.766502 220.1299 6.445974 8.826431       7.465729 
1 1 1 -30 6  15 o 269.8301 4.280777 8935.697       243.7661 9017.199       283.2810 8703.153       478.5040 272.6165 4.294999 267.0437 7.406293 5.572815       8.561553 
1 1 1 -30 6  16 o 41.96216 3.453157 195.4785       28.87534 182.7366       32.17688 248.1856       65.44282 38.81446 3.426478 45.10986 5.996367 -6.295391      6.906314 
1 1 1 -30 6  17 o 33.52661 3.340500 136.8022       25.57291 190.8195       38.73955 95.08427       34.04472 39.60612 4.042871 27.44709 5.318923 12.15903       6.680999 
1 1 1 -30 6  18 o 114.7493 3.217624 1601.047       89.32797 1601.047       89.32797 0.000000       0.000000 114.7493 3.217624 ?        ?        ?              ?        
1 1 1 -30 6  19 o 32.91993 3.847585 132.3981       30.64428 132.3981       30.64428 0.000000       0.000000 32.91993 3.847585 ?        ?        ?              ?        
1 1 1 -30 8  1  o 365.5426 4.756938 16191.55       420.6909 16257.24       596.6576 16126.61       593.2504 366.2793 6.733029 364.8059 6.721620 1.473358       9.513877 
1 1 1 -30 8  2  o 128.4211 2.499237 1995.571       77.64034 1975.501       108.7259 2016.454       110.9066 127.7626 3.517442 129.0795 3.551386 -1.316910      4.998474 
1 1 1 -30 8  3  o 331.3331 4.370785 13298.79       350.3660 13271.89       494.1660 13325.99       496.8294 330.9968 6.170874 331.6693 6.191556 -0.6724854     8.741570 
1 1 1 -30 8  4  o 183.6345 2.863776 4081.099       127.2178 4132.617       181.5719 4031.422       178.2990 184.7723 4.061714 182.4967 4.038234 2.275589       5.727552 
1 1 1 -30 8  5  o 334.8826 4.407082 13577.88       356.8658 13282.44       494.7600 13898.27       515.2311 331.0934 6.176490 338.6718 6.288119 -7.578430      8.814163 
1 1 1 -30 8  6  o 188.1319 2.878855 4275.684       130.8707 4468.691       191.0068 4104.906       179.6712 192.1236 4.109281 184.1402 4.032994 7.983444       5.757710 
1 1 1 -30 8  7  o 243.8675 3.421245 7195.958       201.7268 7396.497       291.7214 7012.190       279.2561 247.1178 4.879350 240.6173 4.797042 6.500458       6.842490 
1 1 1 -30 8  8  o 197.9911 3.649301 4736.479       164.2661 4787.626       287.0957 4711.584       200.2907 198.7307 5.971169 197.2516 4.196990 1.479141       7.298602 
1 1 1 -30 8  9  o 103.6708 3.379569 1301.122       84.76572 0.000000       0.000000 1301.122       84.76572 ?        ?        103.6708 3.379569 ?              ?        
1 1 1 -30 8  10 o 229.5206 4.029008 6393.293       210.7406 6372.397       365.2803 6403.718       258.0092 229.1456 6.588893 229.8957 4.638762 -0.7500916     8.058017 
1 1 1 -30 8  11 o 314.4497 4.183565 11995.49       318.2629 12052.00       452.2835 11940.07       447.9314 315.1809 5.931282 313.7185 5.901590 1.462402       8.367130 
1 1 1 -30 8  12 o 170.3138 2.750233 3513.829       113.3207 3503.255       159.5679 3524.590       160.9606 170.0559 3.878390 170.5716 3.900413 -0.5156555     5.500466 
1 1 1 -30 8  13 o 183.4886 3.468133 4126.151       147.3545 3932.183       244.0813 4237.388       184.8394 179.9867 5.605207 186.9904 4.085760 -7.003693      6.936266 
1 1 1 -30 8  14 o 106.5932 2.412922 1376.621       62.22309 1370.176       87.46645 1383.225       88.53680 106.3412 3.399676 106.8451 3.425050 -0.5038605     4.825843 
1 1 1 -30 8  15 o 81.12395 2.387329 798.0592       46.84261 819.1501       66.20222 776.9131       66.28879 82.20007 3.328879 80.04783 3.422853 2.152237       4.774658 
1 1 1 -30 8  16 o 51.84780 2.674394 328.8811       33.29946 295.7369       48.37077 358.7395       45.91058 49.33117 4.052838 54.36443 3.490564 -5.033253      5.348788 
1 1 1 -30 8  17 o 26.40376 5.232534 66.29358       28.21134 52.39356       30.92775 135.1577       68.83939 20.44565 5.915295 32.36187 8.632899 -11.91622      10.46507 
1 1 1 -30 8  18 o 64.62741 3.284543 559.9713       46.02914 657.7321       57.34272 382.8673       77.18092 73.51834 3.223891 55.73648 5.723585 17.78186       6.569087 
1 1 1 -30 8  19 o 51.90628 3.776095 329.4557       47.42039 329.4557       47.42039 0.000000       0.000000 51.90628 3.776095 ?        ?        ?              ?        
1 1 1 -30 8  20 o 52.23917 3.501988 334.2943       44.26019 334.2943       44.26019 0.000000       0.000000 52.23917 3.501988 ?        ?        ?              ?        
1 1 1 -30 10 1  f 182.7185 2.891747 4041.969       127.8305 4072.656       181.5238 4011.781       180.0446 183.4064 4.090881 182.0306 4.088212 1.375793       5.783493 
1 1 1 -30 10 2  o 99.70657 2.515554 1203.122       60.66821 1167.406       85.18958 1239.877       86.41927 98.20491 3.585510 101.2082 3.529331 -3.003326      5.031109 
1 1 1 -30 10 3  o 63.93893 2.850512 495.7372       43.98861 455.9236       62.19828 535.5790       62.22029 61.36430 4.189482 66.51357 3.866513 -5.149269      5.701025 
1 1 1 -30 10 4  f 232.8317 3.334699 6555.701       187.6596 6777.405       272.9016 6356.828       258.4678 236.5574 4.768340 229.1060 4.663025 7.451447       6.669398 
1 1 1 -30 10 5  o 133.3389 2.556793 2146.140       82.36304 2283.574       120.3013 2024.884       112.9992 137.3454 3.620380 129.3324 3.611318 8.012955       5.113586 
1 1 1 -30 10 6  o 100.2080 2.464006 1215.565       59.73660 1223.623       84.71267 1207.594       84.24984 100.5384 3.482686 99.87757 3.486573 0.6607819      4.928011 
1 1 1 -30 10 7  o 327.1023 4.330245 12971.83       342.6290 13109.15       490.0037 12840.46       479.2756 328.7911 6.159947 325.4134 6.087621 3.377686       8.660489 
1 1 1 -30 10 8  f 122.1607 2.445158 1804.099       72.19809 1699.341       100.1429 1917.482       104.1840 118.4724 3.493820 125.8491 3.421754 -7.376701      4.890315 
1 1 1 -30 10 9  o 39.39209 3.443695 186.6688       32.58774 220.9738       48.19913 157.7831       44.22849 42.70424 4.665153 36.07994 5.066803 6.624306       6.887391 
1 1 1 -30 10 10 o 148.2513 2.602319 2661.095       93.32673 2621.389       130.7237 2702.370       133.2813 147.1240 3.672556 149.3785 3.687898 -2.254517      5.204638 
1 1 1 -30 10 11 o 115.6440 2.480317 1619.519       69.39254 1634.276       98.70876 1605.100       97.57284 116.1646 3.512204 115.1234 3.503186 1.041222       4.960634 
1 1 1 -30 10 12 o 184.5967 2.899100 4128.750       129.4596 4083.327       181.3282 4175.975       184.8907 183.5627 4.082993 185.6307 4.116831 -2.068039      5.798201 
1 1 1 -30 10 13 o 169.2217 3.327275 3502.783       130.1913 3574.447       162.7369 3375.372       216.9910 171.7220 3.917037 166.7214 5.379577 5.000671       6.654550 
1 1 1 -30 10 14 o 253.2683 3.550482 7792.269       217.5045 7945.451       311.7595 7647.002       303.5985 255.6881 5.039726 250.8486 5.002483 4.839493       7.100964 
1 1 1 -30 10 15 o 107.6018 3.400281 1404.616       88.51904 1404.616       88.51904 0.000000       0.000000 107.6018 3.400281 ?        ?        ?              ?        
1 1 1 -30 10 16 o 42.75712 3.358783 224.4956       34.49427 198.8671       49.64250 248.4216       47.96526 40.35595 5.084447 45.15829 4.390227 -4.802334      6.717566 
1 1 1 -30 10 17 o 41.63309 3.475912 215.1441       34.48433 177.8305       49.75294 249.6432       47.83973 38.05855 5.403365 45.20764 4.373958 -7.149090      6.951824 
1 1 1 -30 10 18 o 56.32609 3.935603 387.7944       53.63190 0.000000       0.000000 387.7944       53.63190 ?        ?        56.32609 3.935603 ?              ?        
1 1 1 -30 10 19 o 92.89396 3.269045 1053.881       73.47012 0.000000       0.000000 1053.881       73.47012 ?        ?        92.89396 3.269045 ?              ?        
1 1 1 -30 10 20 o 24.49001 4.063733 71.38860       24.16619 40.79151       30.67187 121.4753       39.24292 18.25786 6.001474 30.72216 5.480694 -12.46429      8.127466 
1 1 1 -30 12 1  o 103.9898 2.565865 1310.040       64.45403 1219.350       90.73867 1402.401       91.57056 100.3524 3.737340 107.6273 3.516667 -7.274933      5.131730 
1 1 1 -30 12 2  o 410.8168 5.293641 20484.37       526.0261 20760.99       753.6346 20221.58       734.5584 413.5111 7.533059 408.1224 7.439325 5.388672       10.58728 
1 1 1 -30 12 3  o 273.9754 3.772284 9095.184       250.0092 8990.174       349.9734 9204.619       357.2724 272.3631 5.311100 275.5878 5.358426 -3.224731      7.544569 
1 1 1 -30 12 4  o 363.3083 4.749283 16012.57       417.4087 15850.00       585.2304 16180.92       595.5139 361.4354 6.692585 365.1812 6.740331 -3.745789      9.498566 
1 1 1 -30 12 5  o 414.0027 5.327110 20770.84       532.7153 20077.71       728.7568 21566.23       780.6654 406.6282 7.407691 421.3772 7.657580 -14.74902      10.65422 
1 1 1 -30 12 6  o 302.1414 4.070719 11067.77       297.5331 10942.34       416.9894 11197.85       424.6664 300.4003 5.737495 303.8824 5.776172 -3.482086      8.141438 
1 1 1 -30 12 7  o 255.3786 3.575742 7901.386       220.8693 7760.043       308.0001 8051.018       316.9027 253.0310 5.031237 257.7261 5.082358 -4.695145      7.151483 
1 1 1 -30 12 8  o 111.0304 2.507057 1492.135       67.32915 1450.143       94.15020 1536.088       96.32255 109.4320 3.556106 112.6288 3.534891 -3.196846      5.014114 
1 1 1 -30 12 9  o 71.39778 2.785631 617.6381       48.09446 593.8762       67.89084 641.5757       68.14152 70.01727 4.007779 72.77829 3.869970 -2.761024      5.571262 
1 1 1 -30 12 10 o 103.0245 2.508858 1283.136       62.45822 1374.727       90.36122 1199.344       86.42849 106.5398 3.505644 99.50916 3.589977 7.030678       5.017715 
1 1 1 -30 12 11 o 166.5663 3.957414 3362.041       159.4781 0.000000       0.000000 3362.041       159.4781 ?        ?        166.5663 3.957414 ?              ?        
1 1 1 -30 12 12 o 161.2836 2.754587 3148.435       107.3970 3322.828       155.1626 2988.048       148.8015 165.5664 3.873580 157.0009 3.917445 8.565582       5.509174 
1 1 1 -30 12 13 o 188.0261 2.958347 4290.544       134.5755 4305.494       190.1750 4275.549       190.4622 188.3557 4.173232 187.6965 4.194211 0.6591797      5.916694 
1 1 1 -30 12 14 o 50.62008 3.331823 311.6353       40.79237 321.7132       57.91236 301.7112       57.46846 51.43565 4.653768 49.80451 4.769343 1.631138       6.663647 
1 1 1 -30 12 15 o 30.98018 4.710042 123.9702       35.18273 78.88641       50.92757 165.1313       48.66152 25.20367 7.667794 36.75669 5.472012 -11.55302      9.420084 
1 1 1 -30 12 16 o 46.81238 3.452775 267.1030       38.89752 308.1114       56.80458 230.8978       53.37432 50.20457 4.676681 43.42019 5.080873 6.784386       6.905550 
1 1 1 -30 12 17 o 114.8142 2.512689 1606.040       69.72429 1634.758       101.2957 1580.182       96.11797 115.7726 3.616453 113.8559 3.489369 1.916756       5.025379 
1 1 1 -30 12 18 o 82.52930 2.526932 829.4374       50.29354 870.2777       74.78959 795.7228       67.95259 84.35476 3.664623 80.70384 3.480242 3.650917       5.053864 
1 1 1 -30 12 19 f 50.11898 4.364075 310.1947       52.91719 0.000000       0.000000 310.1947       52.91719 ?        ?        50.11898 4.364075 ?              ?        
1 1 1 -30 12 20 o 79.68432 3.594810 782.5756       69.30285 0.000000       0.000000 782.5756       69.30285 ?        ?        79.68432 3.594810 ?              ?        
1 1 1 -30 14 1  o 275.4410 3.824343 9186.329       254.6282 8904.877       351.2133 9498.182       369.6944 271.0060 5.356607 279.8760 5.459775 -8.870087      7.648685 
1 1 1 -30 14 2  o 84.62811 2.783416 867.6241       56.96696 859.8139       81.50674 875.0831       79.65218 84.25404 3.998532 85.00219 3.873158 -0.7481537     5.566831 
1 1 1 -30 14 3  o 389.1314 7.146714 18391.88       672.8295 18391.88       672.8295 0.000000       0.000000 389.1314 7.146714 ?        ?        ?              ?        
1 1 1 -30 14 4  o 345.6021 4.565578 14496.99       381.7434 14548.37       541.0461 14446.05       538.6951 346.2114 6.459377 344.9927 6.454027 1.218658       9.131157 
1 1 1 -30 14 5  o 215.3475 3.224546 5619.303       167.9951 5592.607       236.4323 5646.524       238.7463 214.8319 4.548894 215.8631 4.571471 -1.031219      6.449092 
1 1 1 -30 14 6  o 128.0924 2.690738 1985.896       83.35764 1925.435       116.1530 2050.104       119.6979 126.0834 3.807766 130.1014 3.802790 -4.018028      5.381477 
1 1 1 -30 14 7  o 176.0140 2.887885 3752.316       122.9599 3671.445       172.2779 3836.290       175.5514 174.0810 4.090497 177.9470 4.077664 -3.865997      5.775769 
1 1 1 -30 14 8  o 36.37136 4.786973 168.0246       40.47454 132.1527       59.82039 198.3113       54.96646 32.31587 7.750975 40.42685 5.619862 -8.110977      9.573947 
1 1 1 -30 14 9  o 273.0782 3.779341 9044.921       249.6254 9194.293       358.1134 8903.749       348.1449 275.2652 5.377334 270.8912 5.312059 4.374054       7.558683 
1 1 1 -30 14 10 o 217.8637 3.249526 5756.803       171.2756 5761.866       241.3905 5751.669       243.0586 217.9624 4.577584 217.7650 4.613395 0.1973877      6.499053 
1 1 1 -30 14 11 o 39.08780 4.576593 190.0683       42.01051 170.8071       60.61790 207.8693       58.27499 36.83028 7.059830 41.34531 5.825773 -4.515030      9.153187 
1 1 1 -30 14 12 o 62.29731 3.210177 471.6130       48.32729 466.7470       69.85530 476.0798       66.92881 61.98223 4.658326 62.61239 4.418252 -0.6301613     6.420354 
1 1 1 -30 14 13 o 148.5309 2.705346 2678.739       97.21503 2657.811       137.0111 2699.958       137.9594 147.9464 3.827797 149.1154 3.824076 -1.169006      5.410692 
1 1 1 -30 14 14 o 129.2879 2.651702 2031.980       82.93640 2048.367       118.2541 2016.116       116.3487 129.7981 3.765698 128.7776 3.734382 1.020477       5.303404 
1 1 1 -30 14 15 o 44.59322 3.857913 247.2971       41.02271 207.3849       59.48396 283.4962       56.64951 41.05064 5.989323 48.13581 4.864359 -7.085171      7.715826 
1 1 1 -30 14 16 o 54.32214 3.417306 360.0178       44.45313 376.7395       68.54086 347.8773       58.40181 55.35721 5.117679 53.28706 4.530042 2.070148       6.834612 
1 1 1 -30 14 17 o 122.4236 3.669860 1832.446       108.6968 0.000000       0.000000 1832.446       108.6968 ?        ?        122.4236 3.669860 ?              ?        
1 1 1 -30 14 18 o 82.65617 3.690619 838.1935       73.80347 0.000000       0.000000 838.1935       73.80347 ?        ?        82.65617 3.690619 ?              ?        
1 1 1 -30 14 19 o 23.77871 5.942633 65.14197       43.41336 96.49495       64.96666 39.84533       58.35560 26.91717 8.728697 20.64025 8.066562 6.276928       11.88527 
1 1 1 -30 14 20 o 59.74347 5.041759 483.6349       68.45734 432.3617       114.1499 512.4331       85.54876 56.21396 8.393229 63.27298 5.588473 -7.059017      10.08352 
1 1 1 -30 16 1  o 252.9519 3.604684 7751.097       220.4312 7973.877       319.4650 7548.642       304.5436 256.4108 5.149732 249.4931 5.045320 6.917725       7.209369 
1 1 1 -30 16 2  o 260.0157 3.673287 8197.604       231.0330 8090.730       322.9152 8309.682       330.6832 258.2835 5.167607 261.7479 5.221877 -3.464386      7.346574 
1 1 1 -30 16 3  o 262.2313 3.691756 8329.446       234.0060 8590.042       339.8529 8094.516       322.6832 266.1186 5.278536 258.3440 5.162684 7.774567       7.383512 
1 1 1 -30 16 4  o 92.39867 2.854024 1033.592       63.77213 1062.616       91.88255 1006.615       88.58275 93.64850 4.055364 91.14883 4.016943 2.499664       5.708048 
1 1 1 -30 16 5  o 246.0207 3.529154 7336.009       209.9876 7499.587       301.8802 7182.663       292.2867 248.6729 5.017690 243.3685 4.964121 5.304459       7.058308 
1 1 1 -30 16 6  o 84.97485 2.932630 874.4097       60.25306 919.1182       86.42840 832.1350       84.04305 87.08816 4.101995 82.86153 4.192244 4.226624       5.865260 
1 1 1 -30 16 7  f 247.8693 3.551000 7452.814       212.9285 7538.205       303.7236 7370.283       298.5945 249.2632 5.036376 246.4754 5.007327 2.787750       7.102000 
1 1 1 -30 16 8  o 219.7090 3.281038 5854.307       174.3660 5791.156       243.5118 5920.756       249.7896 218.4977 4.606496 220.9202 4.673440 -2.422440      6.562076 
1 1 1 -30 16 9  o 159.4933 2.862424 3085.275       110.4426 3112.900       155.5860 3057.217       156.8001 160.2164 4.013851 158.7702 4.082020 1.446182       5.724848 
1 1 1 -30 16 10 o 221.8507 4.659050 5978.265       250.0694 5978.265       250.0694 0.000000       0.000000 221.8507 4.659050 ?        ?        ?              ?        
1 1 1 -30 16 11 o 165.8382 2.848485 3338.292       114.2660 3398.457       163.5689 3280.944       159.6939 167.2952 4.041244 164.3812 4.015447 2.913910       5.696970 
1 1 1 -30 16 12 o 101.5307 2.710743 1252.328       66.58030 1229.035       93.53064 1276.258       94.79971 100.5725 3.843902 102.4889 3.823209 -1.916359      5.421486 
1 1 1 -30 16 14 o 83.39328 2.975919 847.6254       59.98975 881.9777       87.07893 816.5944       82.76222 84.99420 4.234688 81.79236 4.182319 3.201843       5.951838 
1 1 1 -30 16 15 o 30.09923 5.606252 111.1971       43.86172 180.5879       66.15021 56.75266       58.59448 37.33147 7.582833 22.86698 8.259595 14.46449       11.21250 
1 1 1 -30 16 16 o 26.75937 5.892749 93.30477       42.78200 67.72916       68.55214 109.6204       54.75320 24.61718 8.927423 28.90157 7.694095 -4.284397      11.78550 
1 1 1 -30 16 17 o 25.75588 5.955182 77.34131       43.23555 121.4443       68.35319 47.92756       55.82132 30.09535 8.818980 21.41641 8.005146 8.678934       11.91036 
1 1 1 -30 16 18 o 45.20956 4.419858 261.5807       47.45860 252.6535       73.63810 267.9231       62.06842 44.31123 6.868887 46.10788 5.564078 -1.796646      8.839716 
1 1 1 -30 16 19 o 66.76254 3.570813 570.4951       56.79786 513.4160       85.15028 616.2482       76.23566 63.41371 5.550098 70.11137 4.494355 -6.697659      7.141625 
1 1 1 -30 16 20 o 25.88853 7.284475 46.50062       68.90664 191.1957       121.2226 -22.56990      83.75352 33.40680 11.90126 18.37025 8.403240 15.03654       14.56895 
1 1 1 -30 18 1  o 32.52369 5.827916 126.0138       48.52739 207.6668       73.52168 62.98035       64.59735 40.59996 7.767942 24.44742 8.690081 16.15255       11.65583 
1 1 1 -30 18 2  o 171.0083 4.238699 3546.174       175.3687 0.000000       0.000000 3546.174       175.3687 ?        ?        171.0083 4.238699 ?              ?        
1 1 1 -30 18 3  f 137.9130 2.819580 2301.786       93.99380 2208.127       129.6474 2405.560       136.4695 134.9620 3.970543 140.8639 4.004363 -5.901871      5.639161 
1 1 1 -30 18 4  o 88.44543 3.030281 947.6774       64.80674 914.3145       89.90510 983.7629       93.50182 86.82713 4.279830 90.06374 4.291091 -3.236603      6.060562 
1 1 1 -30 18 5  o 248.6258 3.584188 7496.271       215.4260 7756.720       312.3288 7259.925       297.5267 252.7322 5.107979 244.5194 5.029332 8.212830       7.168377 
1 1 1 -30 18 6  o 132.3081 2.770805 2119.071       88.60543 2249.788       128.2710 1999.774       122.5395 136.2057 3.892519 128.4105 3.944329 7.795212       5.541609 
1 1 1 -30 18 7  o 206.9499 3.927913 5112.300       183.2427 5480.071       329.8892 4948.191       220.3660 212.0309 6.430823 201.8689 4.512040 10.16200       7.855825 
1 1 1 -30 18 8  f 135.7708 3.960405 2237.231       130.0913 0.000000       0.000000 2237.231       130.0913 ?        ?        135.7708 3.960405 ?              ?        
1 1 1 -30 18 9  o 57.60217 3.591960 403.5493       50.02492 424.6781       71.83678 383.6570       69.70328 59.06845 5.026770 56.13589 5.132280 2.932556       7.183920 
1 1 1 -30 18 11 o 50.94763 4.142489 313.4668       50.61767 354.0048       78.13143 284.1463       66.44784 53.72736 6.010741 48.16790 5.701916 5.559460       8.284978 
1 1 1 -30 18 12 o 62.80139 3.586945 483.8011       53.99931 476.4355       81.74779 489.5031       71.92493 62.32243 5.421623 63.28036 4.697948 -0.9579315     7.173891 
1 1 1 -30 18 13 o 97.13461 4.286994 1153.608       100.7463 1153.608       100.7463 0.000000       0.000000 97.13461 4.286994 ?        ?        ?              ?        
1 1 1 -30 18 14 o 19.77954 5.809415 15.10960       45.87248 27.17369       66.49095 4.151959       63.36859 20.86572 8.458136 18.69335 7.966001 2.172369       11.61883 
1 1 1 -30 18 15 o 85.01759 3.192793 895.3909       65.21221 788.9988       93.33885 996.8474       91.14815 79.94725 4.825659 90.08792 4.181951 -10.14067      6.385585 
1 1 1 -30 18 16 o 48.61516 4.796041 292.6815       52.76603 432.6177       82.69793 196.5910       68.52830 58.70972 5.822135 38.52060 7.623043 20.18913       9.592082 
1 1 1 -30 18 17 o 38.36071 5.958728 197.6056       52.92043 225.7031       84.38996 179.3951       67.93872 40.38309 8.879266 36.33833 7.948862 4.044754       11.91746 
1 1 1 -30 18 18 o 17.80955 5.644862 -44.81789      49.62545 42.03131       83.89198 -91.56625      61.54897 22.66523 9.378440 12.95387 6.285120 9.711361       11.28972 
1 1 1 -30 18 19 o 90.04465 3.360589 1033.622       72.94614 1074.066       108.6084 1000.383       98.45956 91.48369 4.907014 88.60560 4.592978 2.878090       6.721178 
1 1 1 -30 20 1  o 61.09515 3.589319 454.4214       53.03259 466.5165       74.70809 442.1357       75.29417 61.92131 4.986837 60.26899 5.163748 1.652321       7.178638 
1 1 1 -30 20 2  o 67.98271 3.496559 563.7523       57.28182 506.9691       81.10168 620.2759       80.91609 64.53779 5.194138 71.42764 4.682375 -6.889854      6.993118 
1 1 1 -30 20 3  o 241.8239 4.965973 7114.269       290.5399 7114.269       290.5399 0.000000       0.000000 241.8239 4.965973 ?        ?        ?              ?        
1 1 1 -30 20 4  o 94.18216 2.913000 1076.916       66.30914 1145.018       94.79803 1011.675       92.78493 97.10410 4.035148 91.26022 4.202363 5.843880       5.826000 
1 1 1 -30 20 5  o 92.44568 2.956274 1033.963       65.90051 922.8898       90.28639 1160.611       96.40941 87.14462 4.282323 97.74675 4.076756 -10.60213      5.912549 
1 1 1 -30 20 6  o 24.21278 6.052360 63.24181       43.94330 66.08794       66.93447 61.08588       58.25588 24.83591 8.843995 23.58965 8.264865 1.246269       12.10472 
1 1 1 -30 20 7  o 96.34293 2.912626 1128.536       67.84840 1135.314       97.81120 1122.249       94.19519 96.61358 4.184544 96.07228 4.052549 0.5412979      5.825252 
1 1 1 -30 20 8  o 203.0840 3.202419 5024.061       157.3029 5110.958       225.7138 4942.000       219.3427 204.7818 4.555797 201.3862 4.501852 3.395615       6.404839 
1 1 1 -30 20 9  o 51.47194 4.289338 326.0756       53.24112 295.4713       75.14393 356.9260       75.44559 49.00607 6.337846 53.93781 5.781470 -4.931740      8.578676 
1 1 1 -30 20 10 o 25.90206 6.408761 75.69218       49.69063 89.19815       71.77837 63.26254       68.85884 27.29854 9.186884 24.50558 8.938122 2.792963       12.81752 
1 1 1 -30 20 11 o 31.55791 6.007963 123.4445       47.67167 178.6217       73.69906 83.74950       62.51007 36.97643 8.426019 26.13939 8.566487 10.83704       12.01593 
1 1 1 -30 20 12 o 36.72160 5.938545 171.2820       51.37430 224.2091       80.38471 134.7363       66.79628 41.42481 8.309740 32.01839 8.486077 9.406422       11.87709 
1 1 1 -30 20 13 o 46.38839 4.870921 267.8566       54.34194 311.8860       81.03635 231.8780       73.25383 49.86217 6.717480 42.91461 7.055419 6.947556       9.741841 
1 1 1 -30 20 14 o 59.04427 3.825890 428.3092       54.26785 502.6593       82.04983 370.4927       72.35400 63.56189 5.335542 54.52665 5.484682 9.035233       7.651781 
1 1 1 -30 20 15 o 39.25901 8.175016 207.7987       75.12491 0.000000       0.000000 207.7987       75.12491 ?        ?        39.25901 8.175016 ?              ?        
1 1 1 -30 20 16 o 34.91262 6.683005 169.8188       57.50724 204.9734       88.70562 144.3322       75.52920 37.84813 9.656045 31.97712 9.241809 5.871006       13.36601 
1 1 1 -30 20 17 o 69.00237 4.132314 623.0747       67.82095 514.4561       97.83781 723.5483       94.09807 62.65093 6.454713 75.35380 5.161468 -12.70287      8.264627 
1 1 1 -30 20 18 o 48.23766 5.913600 338.0521       67.13790 314.1164       96.77275 360.2634       93.22145 45.71530 9.069802 50.76002 7.590874 -5.044716      11.82720 
1 1 1 -30 22 1  o 156.7842 2.921524 2994.982       110.8132 3019.142       157.7032 2971.419       155.7421 157.4061 4.141109 156.1623 4.122185 1.243805       5.843047 
1 1 1 -30 22 2  o 125.8786 4.040830 1929.888       123.0623 0.000000       0.000000 1929.888       123.0623 ?        ?        125.8786 4.040830 ?              ?        
1 1 1 -30 22 3  o 23.32347 6.069464 49.39149       48.21208 -2.225392      73.84241 87.74417       63.65137 19.84825 8.532086 26.79869 8.634645 -6.950447      12.13893 
1 1 1 -30 22 4  o 60.12984 5.034844 442.1658       73.24507 0.000000       0.000000 442.1658       73.24507 ?        ?        60.12984 5.034844 ?              ?        
1 1 1 -30 22 5  o 70.96967 3.347115 610.5466       57.23425 686.8537       85.28966 548.0333       77.19698 74.97616 4.701873 66.96319 4.764988 8.012970       6.694231 
1 1 1 -30 22 6  o 27.77728 6.201287 97.11751       46.55100 79.49555       74.73351 108.2894       59.50478 26.52325 9.355680 29.03131 8.142180 -2.508062      12.40257 
1 1 1 -30 22 7  o 20.36236 5.974043 9.582880       47.10260 42.45656       78.18025 -9.149738      59.01632 23.50952 9.291006 17.21519 7.512254 6.294334       11.94809 
1 1 1 -30 22 8  o 23.92996 7.658458 -65.16210      91.15161 -100.3331      113.7279 -1.984533      152.4249 20.04910 9.383729 27.81081 12.10593 -7.761711      15.31692 
1 1 1 -30 22 9  o 104.7270 3.088619 1343.806       78.21510 1391.258       110.4513 1296.075       110.7751 106.6072 4.282349 102.8467 4.451939 3.760460       6.177238 
1 1 1 -30 22 10 o 43.18384 5.458541 239.4933       55.66385 220.2543       79.12329 258.3455       78.32394 40.99971 8.262141 45.36796 7.135805 -4.368252      10.91708 
1 1 1 -30 22 11 o 68.39571 3.848094 579.8813       63.61669 587.1926       92.20941 573.2403       87.88171 68.77575 5.541631 68.01567 5.340565 0.7600784      7.696188 
1 1 1 -30 22 12 o 100.8982 3.123461 1255.161       76.20399 1270.341       109.8842 1241.096       105.7709 101.4595 4.476519 100.3369 4.357155 1.122551       6.246922 
1 1 1 -30 22 13 o 35.16894 6.281981 173.8895       54.73616 123.0990       81.88420 214.9172       73.59485 30.21458 9.799665 40.12330 7.862551 -9.908716      12.56396 
1 1 1 -30 22 14 o 76.26553 3.678126 727.3840       67.61554 820.4676       99.19825 646.6075       92.40805 80.87183 5.069959 71.65924 5.330099 9.212593       7.356252 
1 1 1 -30 22 15 o 27.50029 6.820460 100.8491       59.08584 51.48759       87.19238 142.7640       80.34676 23.62228 9.644049 31.37831 9.647126 -7.756033      13.64092 
1 1 1 -30 22 16 o 26.56009 6.972311 98.57985       60.16803 115.3758       83.60081 80.53107       86.66264 27.98961 9.892768 25.13056 9.827797 2.859058       13.94462 
1 1 1 -30 22 17 o 19.43984 6.175463 -13.07748      63.16098 -76.40096      88.41698 52.91006       90.25770 16.35490 7.832551 22.52477 9.549685 -6.169876      12.35093 
1 1 1 -30 24 1  o 63.07568 4.103841 512.1221       59.84513 362.3475       88.04125 640.7628       81.59363 53.90326 6.751012 72.24811 4.667964 -18.34485      8.207682 
1 1 1 -30 24 2  o 42.87357 5.353750 238.3904       53.08711 211.2052       81.09050 258.7804       70.22856 40.10822 8.613791 45.63892 6.360278 -5.530693      10.70750 
1 1 1 -30 24 3  o 178.2256 3.089954 3890.748       133.2196 3832.991       186.5844 3950.810       190.2717 176.8817 4.360037 179.5695 4.379650 -2.687744      6.179907 
1 1 1 -30 24 4  o 51.03053 4.464366 316.1685       54.35411 369.7193       86.06618 280.6401       70.10319 54.49534 6.527860 47.56573 6.091740 6.929615       8.928732 
1 1 1 -30 24 5  o 57.75632 4.223407 419.1480       58.08517 373.9138       87.10710 455.3662       77.94423 54.76231 6.574602 60.75032 5.303140 -5.988014      8.446815 
1 1 1 -30 24 6  o 20.33197 6.043992 13.79137       48.56896 16.73661       81.68013 12.18040       60.40886 21.78721 9.152233 18.87672 7.896579 2.910484       12.08798 
1 1 1 -30 24 7  o 25.88458 6.641308 74.30782       52.77092 85.41150       83.74245 66.99442       67.96282 27.26165 9.870041 24.50751 8.888767 2.754141       13.28262 
1 1 1 -30 24 8  o 18.77696 5.857223 -21.75502      52.67166 15.38128       78.18407 -52.61589      71.27268 21.18474 8.929552 16.36919 7.582305 4.815550       11.71445 
1 1 1 -30 24 9  o 90.43381 3.309100 1002.579       71.78579 1203.154       106.3621 834.7777       97.28500 98.76575 4.451210 82.10185 4.897683 16.66390       6.618200 
1 1 1 -30 24 10 o 87.83675 4.677783 956.2076       99.40737 0.000000       0.000000 956.2076       99.40737 ?        ?        87.83675 4.677783 ?              ?        
1 1 1 -30 24 11 o 36.00047 6.639091 179.9491       58.21893 189.5094       86.74749 172.1138       78.53216 36.77131 9.634928 35.22964 9.136647 1.541672       13.27818 
1 1 1 -30 24 12 o 90.96165 3.407952 1035.963       74.96333 1073.275       106.1482 998.8376       105.8806 92.64890 4.735548 89.27441 4.902155 3.374489       6.815903 
1 1 1 -30 24 13 o 43.36420 6.081003 260.5317       62.40465 333.7220       91.29899 196.3530       85.49377 50.01770 7.544665 36.71070 9.538995 13.30700       12.16201 
1 1 1 -30 24 14 o 61.99010 4.668420 510.7407       69.61855 574.3030       99.26903 449.2201       97.66164 66.11135 6.206338 57.86884 6.975524 8.242508       9.336840 
1 1 1 -30 24 15 o 33.34783 7.731231 189.4498       72.21034 171.5681       101.1423 208.0406       103.1284 31.79952 10.90421 34.89614 10.96293 -3.096624      15.46246 
1 1 1 -30 26 1  o 41.05491 6.173108 221.2260       59.18066 285.8113       91.42502 174.6462       77.64210 46.28679 8.476423 35.82302 8.976597 10.46376       12.34622 
1 1 1 -30 26 2  o 68.37216 3.926323 581.4932       64.28036 600.1633       98.81380 567.7962       84.63634 69.17957 5.903879 67.56475 5.177670 1.614815       7.852647 
1 1 1 -30 26 3  o 37.17043 5.973560 201.0219       57.71010 70.71864       89.38886 294.1500       75.56946 26.08436 10.04178 48.25649 6.472742 -22.17214      11.94712 
1 1 1 -30 26 4  f 73.78812 3.832972 682.4481       67.78033 654.8820       101.8247 704.3810       90.82696 72.26968 5.823642 75.30654 4.985167 -3.036858      7.665944 
1 1 1 -30 26 5  o 25.41409 6.492342 49.36413       53.85772 143.8417       89.30540 -4.637334      67.51747 32.43562 10.20372 18.39256 8.030324 14.04306       12.98468 
1 1 1 -30 26 6  o 54.23997 5.802320 333.6396       69.20350 519.3337       137.6772 270.8612       80.05125 62.54355 9.098655 45.93639 7.202927 16.60716       11.60464 
1 1 1 -30 26 7  o 73.17971 3.816703 669.6714       67.46976 720.0853       98.36817 624.8848       92.71580 75.78865 5.364733 70.57077 5.430334 5.217880       7.633406 
1 1 1 -30 26 8  f 36.91312 6.542300 182.6396       59.71833 270.0686       92.04296 119.0807       78.47855 44.30184 8.896491 29.52440 9.594748 14.77744       13.08460 
1 1 1 -30 26 9  o 36.72976 6.085268 175.1367       61.45298 326.8803       91.92383 52.51939       82.63212 49.81249 7.627594 23.64703 9.483763 26.16546       12.17054 
1 1 1 -30 26 10 o 114.8087 3.155211 1649.745       87.63683 1671.061       124.4529 1628.779       123.4278 115.5533 4.451642 114.0641 4.472618 1.489243       6.310422 
1 1 1 -30 26 11 o 47.49710 5.968685 318.3364       65.79784 240.2781       92.31452 398.9406       93.80787 40.29868 9.604520 54.69552 7.089005 -14.39684      11.93737 
1 1 1 -30 26 12 o 62.68245 4.680455 525.9165       70.91907 530.4728       102.5542 521.7407       98.17830 62.82435 6.747191 62.54055 6.488608 0.2837982      9.360909 
1 1 1 -30 26 13 o 32.46350 7.441201 178.5763       67.42188 200.5988       94.13730 155.3825       96.60859 34.58929 10.40309 30.33772 10.64245 4.251570       14.88240 
1 1 1 -29 1  1  o 514.1719 6.486679 32009.50       806.6704 31529.24       1123.891 32519.79       1158.505 510.2007 9.105016 518.1431 9.241574 -7.942413      12.97336 
1 1 1 -29 1  2  o 278.6923 5.331414 9384.726       358.9767 9752.529       524.7840 9061.273       492.1276 283.8105 7.642753 273.5740 7.435336 10.23648       10.66283 
1 1 1 -29 1  3  o 619.5260 7.702742 46509.55       1154.449 46857.34       1644.791 46171.85       1620.750 621.8044 10.93338 617.2476 10.85311 4.556763       15.40548 
1 1 1 -29 1  4  o 46.36955 2.606199 260.9193       29.03486 223.5209       40.72873 299.5654       41.40255 42.98039 3.916771 49.75872 3.439185 -6.778328      5.212398 
1 1 1 -29 1  5  o 882.9210 12.54625 95280.92       2338.701 95783.82       2715.596 93836.99       4601.499 888.6219 12.63123 877.2201 21.68146 11.40179       25.09250 
1 1 1 -29 1  6  o 375.7922 5.588113 17158.83       442.1081 17216.66       512.2181 16989.89       875.4771 377.1466 5.613612 374.4378 9.664129 2.708801       11.17623 
1 1 1 -29 1  7  o 259.6952 4.066622 8413.481       230.1149 8767.254       274.8195 7583.581       420.9191 269.1551 4.220294 250.2353 6.952609 18.91980       8.133244 
1 1 1 -29 1  8  o 304.5613 4.656987 11315.84       299.9825 11401.19       348.7688 11073.17       588.0926 306.8899 4.697348 302.2328 8.042700 4.657135       9.313973 
1 1 1 -29 1  9  o 213.2754 3.542222 5528.266       158.8495 5548.745       183.9361 5468.174       315.0801 214.1129 3.550765 212.4379 6.130369 1.674927       7.084445 
1 1 1 -29 1  10 o 162.3602 2.597799 3188.745       102.0047 3101.000       141.9120 3282.538       146.7211 160.0514 3.664861 164.6690 3.682802 -4.617661      5.195598 
1 1 1 -29 1  11 o 318.2609 4.201682 12272.60       323.3767 12528.91       465.9894 12034.50       449.1243 321.4581 5.991690 315.0636 5.892045 6.394531       8.403364 
1 1 1 -29 1  12 o 158.4716 2.570485 3038.523       98.51311 2953.757       137.0013 3129.278       141.7576 156.1852 3.625621 160.7579 3.644783 -4.572708      5.140969 
1 1 1 -29 1  13 o 64.81619 2.226382 507.8993       34.87839 540.5815       50.30861 477.6525       48.39783 66.82162 3.111881 62.81076 3.184854 4.010860       4.452764 
1 1 1 -29 1  14 o 258.7814 3.561380 8103.917       222.6661 7808.380       305.2596 8439.966       325.5099 253.7581 4.972184 263.8047 5.100108 -10.04655      7.122760 
1 1 1 -29 1  15 o 48.86942 2.501432 289.6627       29.50274 264.9872       41.54726 314.7606       41.90136 46.76485 3.672152 50.97399 3.397639 -4.209141      5.002864 
1 1 1 -29 1  16 o 66.94470 2.050947 542.5306       33.20507 562.3990       47.67424 523.8112       46.27514 68.13448 2.892109 65.75493 2.908822 2.379547       4.101894 
1 1 1 -29 3  1  o 559.3312 8.064967 38058.88       949.9825 38197.04       1100.941 37656.16       1879.648 561.6218 8.102474 557.0407 13.94721 4.581055       16.12993 
1 1 1 -29 3  2  o 362.1313 6.646825 15874.92       582.3480 15874.92       582.3480 0.000000       0.000000 362.1313 6.646825 ?        ?        ?              ?        
1 1 1 -29 3  3  o 80.27856 2.782048 775.3569       51.02724 766.4862       62.42532 793.2183       88.58086 79.59377 3.241749 80.96334 4.522194 -1.369568      5.564097 
1 1 1 -29 3  4  o 434.7436 6.373363 22961.04       583.3635 23029.74       675.8358 22760.26       1155.387 436.1712 6.404449 433.3160 11.02098 2.855225       12.74673 
1 1 1 -29 3  5  o 130.2096 2.900629 2017.843       85.48798 1958.996       103.2234 2146.342       152.5330 127.2436 3.353046 133.1755 4.734097 -5.931885      5.801259 
1 1 1 -29 3  6  o 316.6423 4.877366 11833.53       313.1671 11587.75       354.5128 12706.72       668.2035 309.4294 4.735523 323.8552 8.528165 -14.42572      9.754731 
1 1 1 -29 3  7  o 243.7801 3.943438 7033.031       196.4362 6897.535       223.1706 7499.108       413.9063 238.7384 3.863780 248.8218 6.875611 -10.08340      7.886877 
1 1 1 -29 3  8  o 287.3022 4.475372 9891.142       265.5172 9793.243       303.7548 10208.21       546.6519 284.4287 4.414153 290.1756 7.786596 -5.746857      8.950745 
1 1 1 -29 3  9  o 143.7153 2.829118 2462.343       83.96144 2428.315       95.95932 2573.468       173.4100 141.6568 2.799932 145.7739 4.916910 -4.117126      5.658235 
1 1 1 -29 3  10 o 201.1434 3.447036 4716.508       139.8452 4575.505       157.6420 5237.359       302.9804 194.4227 3.351372 207.8641 6.024661 -13.44141      6.894073 
1 1 1 -29 3  11 o 188.5050 3.307992 4275.460       129.3089 4248.203       148.3453 4361.690       263.8502 187.3322 3.273098 189.6777 5.749616 -2.345520      6.615985 
1 1 1 -29 3  12 o 213.2181 3.567387 5618.453       162.2815 5745.981       190.3396 5279.000       310.5386 217.8363 3.611574 208.5999 6.153173 9.236389       7.134775 
1 1 1 -29 3  13 o 132.2959 2.386587 2119.174       76.37909 2127.082       108.9467 2111.529       107.1094 132.5377 3.397601 132.0540 3.352537 0.4837189      4.773175 
1 1 1 -29 3  14 o 249.1507 3.463517 7518.350       208.6070 7743.740       302.5398 7314.068       288.0250 252.7000 4.948516 245.6014 4.847267 7.098526       6.927034 
1 1 1 -29 3  15 o 168.6885 2.672158 3420.941       108.5723 3750.941       163.1874 3158.849       145.4308 175.9247 3.834048 161.4523 3.723143 14.47237       5.344317 
1 1 1 -29 3  16 o 117.7639 3.195064 1680.812       91.03196 1680.812       91.03196 0.000000       0.000000 117.7639 3.195064 ?        ?        ?              ?        
1 1 1 -29 3  17 o 144.2076 3.431570 2523.578       119.7246 2523.578       119.7246 0.000000       0.000000 144.2076 3.431570 ?        ?        ?              ?        
1 1 1 -29 5  1  o 869.1544 12.35690 92425.13       2270.045 92985.27       2638.021 90826.89       4456.025 875.4716 12.45472 862.8372 21.34600 12.63434       24.71379 
1 1 1 -29 5  2  o 495.7064 7.188426 30027.14       756.2518 30298.68       881.2299 29268.29       1473.161 500.2232 7.281537 491.1895 12.39650 9.033752       14.37685 
1 1 1 -29 5  3  f 208.0857 3.497458 5452.513       158.8832 5770.720       190.9019 4735.277       286.6067 218.3868 3.613112 197.7846 5.989513 20.60222       6.994916 
1 1 1 -29 5  4  o 509.9539 9.063984 31508.26       1118.285 31508.26       1118.285 0.000000       0.000000 509.9539 9.063984 ?        ?        ?              ?        
1 1 1 -29 5  5  o 94.57236 2.301820 1081.339       52.64436 1111.819       75.81409 1052.958       73.15768 95.85823 3.269025 93.28648 3.241447 2.571747       4.603640 
1 1 1 -29 5  6  o 374.0477 4.843190 16848.51       436.3224 17943.46       655.5862 15977.83       584.6025 384.8809 7.040462 363.2146 6.652657 21.66629       9.686379 
1 1 1 -29 5  7  o 44.72587 2.706735 241.3800       29.24500 257.1973       42.75586 227.4735       40.09008 46.09859 3.833590 43.35314 3.822206 2.745453       5.413471 
1 1 1 -29 5  8  f 402.6901 7.301466 19661.28       711.3500 19661.28       711.3500 0.000000       0.000000 402.6901 7.301466 ?        ?        ?              ?        
1 1 1 -29 5  9  o 412.2968 6.132913 20452.98       522.4517 20279.50       598.1372 21011.30       1073.043 409.0549 6.043894 415.5387 10.67342 -6.483795      12.26583 
1 1 1 -29 5  10 o 416.2074 6.153082 21159.01       539.6352 21271.70       625.9455 20832.84       1064.963 418.8513 6.176953 413.5634 10.64363 5.287933       12.30616 
1 1 1 -29 5  11 o 367.6943 5.518462 16464.09       425.8276 16503.51       492.5299 16347.41       847.4030 368.9636 5.517557 366.4251 9.558780 2.538452       11.03692 
1 1 1 -29 5  12 o 325.3958 4.927913 13158.70       346.3678 13550.39       410.0534 12183.22       647.1061 334.3430 5.069275 316.4486 8.452205 17.89438       9.855826 
1 1 1 -29 5  13 o 213.1346 3.570248 5709.063       165.4339 5996.420       197.7886 5039.857       301.8358 222.5055 3.674160 203.7636 6.122683 18.74190       7.140497 
1 1 1 -29 5  14 o 75.89954 2.894051 746.5477       44.12059 791.0114       50.84214 610.9459       88.78790 80.83460 2.599706 70.96449 5.171427 9.870117       5.788102 
1 1 1 -29 5  15 o 109.4041 2.954487 1487.774       72.88838 1558.687       89.48853 1348.007       125.6341 113.4269 3.260986 105.3813 4.927672 8.045631       5.908975 
1 1 1 -29 5  16 o 82.25970 3.127186 820.1980       62.23622 820.1980       62.23622 0.000000       0.000000 82.25970 3.127186 ?        ?        ?              ?        
1 1 1 -29 5  17 o 105.3084 3.147311 1345.546       80.18719 1345.546       80.18719 0.000000       0.000000 105.3084 3.147311 ?        ?        ?              ?        
1 1 1 -29 5  18 o 63.45614 2.947333 489.0247       45.24860 489.0247       45.24860 0.000000       0.000000 63.45614 2.947333 ?        ?        ?              ?        
1 1 1 -29 7  1  o 382.9443 4.956739 17759.38       459.1519 17581.33       642.1309 17945.66       656.7950 380.9838 6.966503 384.9048 7.053006 -3.920990      9.913479 
1 1 1 -29 7  2  o 644.6407 8.025994 50069.22       1244.326 47277.60       1655.014 53699.27       1887.252 624.1942 10.95922 665.0873 11.72867 -40.89313      16.05199 
1 1 1 -29 7  3  o 507.6406 6.394180 31235.09       785.2078 31540.47       1121.607 30941.56       1099.622 510.0681 9.088880 505.2131 8.996355 4.854980       12.78836 
1 1 1 -29 7  4  o 304.3396 4.068612 11211.91       299.5186 11361.32       428.7127 11069.45       418.6336 306.3182 5.784838 302.3610 5.722766 3.957184       8.137223 
1 1 1 -29 7  5  o 457.4000 5.814919 25176.19       639.7877 23729.32       851.5109 27051.93       969.5264 442.4519 7.954664 472.3480 8.483894 -29.89609      11.62984 
1 1 1 -29 7  6  o 144.5464 2.522938 2528.427       88.22244 2510.006       123.8007 2547.434       125.7530 144.0118 3.553226 145.0809 3.582659 -1.069168      5.045876 
1 1 1 -29 7  7  o 423.3601 6.718554 21112.90       623.3734 23319.45       1187.884 20274.29       732.3121 437.8310 11.21412 408.8893 7.402666 28.94171       13.43711 
1 1 1 -29 7  8  o 215.7558 4.424852 5641.405       230.9492 5535.991       324.1015 5750.149       329.1808 213.7079 6.268422 217.8038 6.246933 -4.095917      8.849705 
1 1 1 -29 7  9  o 390.2752 6.160251 18589.67       551.4828 18767.70       681.2003 18251.04       939.4678 393.2843 7.159223 387.2661 10.02698 6.018188       12.32050 
1 1 1 -29 7  10 o 260.1535 3.585151 8197.232       225.5776 8366.482       324.1534 8038.304       314.1133 262.7533 5.099176 257.5536 5.040997 5.199646       7.170303 
1 1 1 -29 7  11 o 175.1367 2.757527 3712.833       116.8110 3816.586       167.4152 3614.405       163.0621 177.5197 3.898036 172.7536 3.901428 4.766159       5.515054 
1 1 1 -29 7  12 o 437.4756 5.591490 23275.87       591.7974 23379.11       840.4955 23174.37       833.4054 438.4328 7.923738 436.5184 7.891352 1.914368       11.18298 
1 1 1 -29 7  13 o 89.27840 3.335394 965.2591       72.04368 965.2591       72.04368 0.000000       0.000000 89.27840 3.335394 ?        ?        ?              ?        
1 1 1 -29 7  14 o 244.2372 3.430959 7232.970       202.6678 7378.657       291.2538 7096.208       282.1919 246.6161 4.881438 241.8584 4.822599 4.757797       6.861917 
1 1 1 -29 7  15 o 216.0265 3.625583 5828.671       168.2954 6029.681       198.8877 5321.833       315.8153 223.0014 3.686362 209.0515 6.244209 13.94987       7.251166 
1 1 1 -29 7  16 o 137.9715 3.080304 2369.414       97.80413 2515.540       123.0733 2118.977       161.1201 143.9912 3.532854 131.9519 5.046983 12.03931       6.160608 
1 1 1 -29 7  17 o 97.43604 2.868240 1162.839       63.23028 1177.080       77.11121 1133.611       110.4690 98.45705 3.237191 96.41501 4.735799 2.042046       5.736480 
1 1 1 -29 7  18 o 95.87928 3.156149 1117.788       73.21239 1117.788       73.21239 0.000000       0.000000 95.87928 3.156149 ?        ?        ?              ?        
1 1 1 -29 7  19 o 64.93902 3.111475 513.5657       48.88485 513.5657       48.88485 0.000000       0.000000 64.93902 3.111475 ?        ?        ?              ?        
1 1 1 -29 9  1  o 183.0934 2.887722 4056.017       127.8795 3977.903       178.2039 4138.948       183.6153 181.2775 4.063225 184.9094 4.104382 -3.631851      5.775444 
1 1 1 -29 9  2  o 461.9777 5.881464 25863.79       656.8798 25286.60       908.0992 26497.28       951.3456 456.5912 8.220598 467.3641 8.413575 -10.77295      11.76293 
1 1 1 -29 9  3  o 640.4049 7.989723 49820.99       1237.002 50973.27       1791.025 48769.97       1710.520 647.4398 11.43405 633.3701 11.16267 14.06964       15.97945 
1 1 1 -29 9  4  o 263.9691 3.647511 8438.495       232.9439 8444.337       329.7834 8432.678       329.0826 264.0601 5.162068 263.8782 5.154650 0.1819458      7.295023 
1 1 1 -29 9  5  f 139.2200 2.532765 2343.286       85.24684 2415.267       123.4925 2277.765       117.8218 141.2592 3.613445 137.1807 3.550016 4.078476       5.065530 
1 1 1 -29 9  6  o 214.6179 3.135741 5575.643       162.7892 5665.654       233.0208 5489.836       227.5152 216.3084 4.452655 212.9274 4.416484 3.381012       6.271481 
1 1 1 -29 9  7  f 113.2229 2.379999 1551.016       65.17992 1588.618       93.36212 1515.263       91.03847 114.5609 3.368464 111.8849 3.363189 2.676064       4.759999 
1 1 1 -29 9  8  o 103.7499 3.360323 1303.024       84.34724 0.000000       0.000000 1303.024       84.34724 ?        ?        103.7499 3.360323 ?              ?        
1 1 1 -29 9  9  o 62.79426 2.602638 476.7909       39.41528 426.2932       54.66127 531.4878       56.88867 59.33333 3.807840 66.25519 3.548980 -6.921856      5.205277 
1 1 1 -29 9  10 o 127.1354 2.921945 1979.048       86.07961 2034.929       108.1002 1882.213       142.3017 129.6401 3.446552 124.6307 4.719356 5.009392       5.843889 
1 1 1 -29 9  11 o 361.7743 5.812072 15845.76       475.9204 16145.15       840.2058 15704.32       577.4977 363.9170 9.542916 359.6316 6.637280 4.285339       11.62414 
1 1 1 -29 9  12 o 194.8449 2.961473 4596.820       139.5374 4491.846       193.6993 4710.064       201.1849 192.5366 4.158267 197.1532 4.217831 -4.616608      5.922946 
1 1 1 -29 9  13 o 141.6043 2.574406 2427.968       88.16654 2380.041       122.7159 2479.102       126.7549 140.1621 3.618828 143.0466 3.662560 -2.884537      5.148812 
1 1 1 -29 9  14 o 45.54874 3.202874 251.4570       35.24170 232.5830       49.00723 271.6696       50.71521 43.77770 4.627059 47.31978 4.429893 -3.542080      6.405749 
1 1 1 -29 9  15 o 162.3364 3.804126 3197.601       149.4077 3197.601       149.4077 0.000000       0.000000 162.3364 3.804126 ?        ?        ?              ?        
1 1 1 -29 9  16 o 202.8790 3.031639 5004.188       148.7552 5108.343       213.7742 4906.410       207.1266 204.9181 4.311939 200.8398 4.262690 4.078217       6.063279 
1 1 1 -29 9  17 o 79.95706 2.400857 777.7740       46.40628 764.5512       66.63215 790.2291       64.66866 79.28723 3.473588 80.62689 3.315215 -1.339661      4.801714 
1 1 1 -29 9  18 o 71.13284 2.397042 617.6295       41.16100 589.1937       59.28403 644.0948       57.19316 69.52892 3.524276 72.73676 3.250033 -3.207840      4.794084 
1 1 1 -29 9  19 o 15.25342 4.242820 2.734326       22.86181 -15.73147      27.48124 44.23557       41.19864 10.72340 4.869642 19.78344 6.949292 -9.060046      8.485640 
1 1 1 -29 9  20 o 25.54700 6.510214 85.66024       40.35475 85.66024       40.35475 0.000000       0.000000 25.54700 6.510214 ?        ?        ?              ?        
1 1 1 -29 11 1  o 178.8902 2.868301 3869.179       124.0388 4012.165       179.9261 3739.678       171.2315 182.0341 4.085443 175.7462 4.027126 6.287827       5.736601 
1 1 1 -29 11 2  o 157.9759 2.722312 3020.719       104.0354 2962.591       145.9725 3080.726       148.3120 156.4314 3.856957 159.5203 3.842891 -3.088867      5.444624 
1 1 1 -29 11 3  o 131.2439 2.578445 2081.606       81.80096 1978.411       113.1047 2194.783       118.4483 127.8390 3.656916 134.6488 3.636000 -6.809868      5.156891 
1 1 1 -29 11 4  f 209.1992 3.128751 5297.854       158.3182 5206.357       220.9751 5394.354       226.9353 207.3451 4.405014 211.0533 4.444343 -3.708252      6.257502 
1 1 1 -29 11 5  o 153.9474 2.682619 2869.118       99.90894 2889.535       142.2915 2849.264       140.3144 154.4871 3.807015 153.4077 3.780532 1.079422       5.365239 
1 1 1 -29 11 6  o 301.9236 4.063092 11049.19       296.7768 11143.25       422.5470 10957.61       416.9212 303.1901 5.760467 300.6571 5.731658 2.533020       8.126184 
1 1 1 -29 11 7  o 241.2791 3.420659 7039.248       199.3972 7313.193       291.5652 6798.548       273.3006 245.6748 4.905382 236.8835 4.768739 8.791336       6.841319 
1 1 1 -29 11 8  o 199.0549 3.006939 4786.885       144.5956 4570.139       198.0086 5034.526       211.6505 194.2423 4.213449 203.8675 4.291104 -9.625137      6.013878 
1 1 1 -29 11 9  o 169.1066 3.908452 3463.579       159.9071 0.000000       0.000000 3463.579       159.9071 ?        ?        169.1066 3.908452 ?              ?        
1 1 1 -29 11 10 o 96.02513 2.482451 1116.353       57.66145 1147.390       82.20168 1086.286       80.90497 97.33938 3.490517 94.71088 3.530799 2.628494       4.964902 
1 1 1 -29 11 11 f 79.81543 2.597214 771.7656       50.14506 784.4644       70.73533 758.9365       71.09771 80.47668 3.632988 79.15417 3.712611 1.322517       5.194428 
1 1 1 -29 11 12 o 133.4939 2.594370 2159.083       83.78584 2189.413       118.6573 2128.922       118.3255 134.4301 3.648344 132.5578 3.689528 1.872360       5.188741 
1 1 1 -29 11 13 o 170.4300 2.801273 3521.747       115.5003 3518.278       162.5182 3525.288       164.1787 170.3469 3.943350 170.5130 3.979762 -0.1660309     5.602545 
1 1 1 -29 11 14 o 34.57237 4.813782 150.3591       38.75939 141.9681       52.82736 160.1428       57.04318 33.51695 6.748148 35.62779 6.866766 -2.110840      9.627563 
1 1 1 -29 11 15 f 97.79497 2.477793 1159.663       58.58823 1127.425       81.11290 1194.830       84.71709 96.37780 3.478649 99.21214 3.529425 -2.834343      4.955586 
1 1 1 -29 11 16 o 75.57288 2.580774 689.8354       46.93684 798.4373       69.33490 597.9641       63.77102 81.03821 3.536387 70.10754 3.759727 10.93067       5.161548 
1 1 1 -29 11 17 o 120.8354 3.488383 1778.181       101.9813 0.000000       0.000000 1778.181       101.9813 ?        ?        120.8354 3.488383 ?              ?        
1 1 1 -29 11 18 o 36.53675 3.822493 162.9646       33.53382 193.8726       50.29829 138.2339       44.99209 39.64115 5.244507 33.43236 5.562460 6.208794       7.644987 
1 1 1 -29 11 19 o 26.65399 4.953994 97.53822       34.41831 48.30458       53.67770 131.9132       44.85223 21.31445 7.872966 31.99352 6.015365 -10.67907      9.907988 
1 1 1 -29 11 20 o 39.71364 3.216536 194.2025       30.76649 215.3795       46.21630 177.3484       41.23012 41.63203 4.588442 37.79524 4.508948 3.836796       6.433072 
1 1 1 -29 13 1  o 188.6052 4.222818 4308.486       192.6896 0.000000       0.000000 4308.486       192.6896 ?        ?        188.6052 4.222818 ?              ?        
1 1 1 -29 13 2  o 198.7937 3.074739 4785.838       147.8658 4710.742       207.3534 4863.539       210.9198 197.2075 4.345959 200.3800 4.350716 -3.172501      6.149479 
1 1 1 -29 13 3  o 191.0695 2.998017 4406.225       138.3177 4174.152       188.5542 4676.609       203.5240 185.6440 4.198102 196.4950 4.281163 -10.85107      5.996034 
1 1 1 -29 13 4  o 38.37998 4.515231 186.4916       39.79966 137.5847       57.34837 231.9328       55.27910 33.01548 7.366655 43.74449 5.223183 -10.72902      9.030462 
1 1 1 -29 13 5  o 124.2612 2.598347 1868.190       78.08228 1925.386       112.4005 1814.846       108.5501 126.0975 3.684340 122.4249 3.664869 3.672615       5.196693 
1 1 1 -29 13 6  o 396.6168 5.129372 19105.61       492.1913 19047.95       694.3254 19163.86       697.8151 396.0168 7.246814 397.2168 7.261234 -1.199982      10.25874 
1 1 1 -29 13 7  o 43.22881 3.894934 228.6419       40.35254 206.4037       59.35204 247.7574       55.02725 41.24783 5.947469 45.20977 5.030871 -3.961941      7.789869 
1 1 1 -29 13 8  o 95.82305 2.603781 1112.932       60.31264 1068.664       85.75011 1156.274       84.84696 93.93294 3.773240 97.71317 3.589061 -3.780228      5.207562 
1 1 1 -29 13 9  o 25.66460 4.832004 82.61684       35.52239 9.028422       54.12191 138.3084       47.08289 18.08946 7.512830 33.23974 6.078687 -15.15027      9.664008 
1 1 1 -29 13 10 o 52.58252 3.405562 332.1308       43.12073 373.5765       64.71940 299.0447       57.82516 55.50471 4.819503 49.66033 4.812880 5.844387       6.811125 
1 1 1 -29 13 11 o 150.6057 3.888001 2748.890       141.6674 0.000000       0.000000 2748.890       141.6674 ?        ?        150.6057 3.888001 ?              ?        
1 1 1 -29 13 12 o 74.04929 2.820685 666.0554       50.40545 611.4584       71.27615 720.6766       71.29201 71.00111 4.149318 77.09745 3.822069 -6.096336      5.641370 
1 1 1 -29 13 13 o 178.2510 2.885031 3856.820       124.4168 3880.630       176.0036 3833.038       175.9004 178.8026 4.068604 177.6994 4.091464 1.103210       5.770062 
1 1 1 -29 13 14 o 35.10616 4.793778 153.3430       39.64734 200.5642       58.21170 112.4843       54.14818 40.51946 5.938057 29.69286 7.527331 10.82660       9.587557 
1 1 1 -29 13 15 o 52.97332 3.306863 343.5497       42.21141 311.4857       60.12246 374.7196       59.27838 50.50316 4.920575 55.44348 4.419199 -4.940315      6.613727 
1 1 1 -29 13 16 o 76.11464 2.746729 707.9839       50.45383 678.6101       73.00072 734.8470       69.81110 74.57408 4.046103 77.65520 3.715794 -3.081116      5.493458 
1 1 1 -29 13 17 o 72.87077 2.812538 652.7597       49.31456 599.8331       71.51551 700.7417       68.09293 69.98972 4.223414 75.75184 3.715408 -5.762123      5.625077 
1 1 1 -29 13 18 o 89.21880 3.492267 973.4770       75.38174 0.000000       0.000000 973.4770       75.38174 ?        ?        89.21880 3.492267 ?              ?        
1 1 1 -29 13 19 o 40.50042 3.965648 204.7132       38.56957 215.1043       58.75662 196.8455       51.12700 41.32677 5.876557 39.67406 5.326493 1.652714       7.931296 
1 1 1 -29 13 20 o 37.92330 6.515910 203.8888       56.91021 202.1416       98.69757 204.7591       69.65600 37.03009 10.52169 38.81651 7.689112 -1.786427      13.03182 
1 1 1 -29 15 1  o 163.7119 2.848083 3233.952       112.5865 3484.141       165.3061 3017.486       153.7626 169.5947 4.028786 157.8292 4.026809 11.76552       5.696166 
1 1 1 -29 15 2  f 107.2395 2.736591 1392.489       70.98699 1414.129       101.6511 1371.890       99.17615 108.0518 3.888461 106.4271 3.851701 1.624687       5.473183 
1 1 1 -29 15 3  o 208.4051 3.181083 5255.291       160.2683 5064.538       221.4186 5465.213       232.2784 204.4403 4.476570 212.3699 4.520784 -7.929550      6.362166 
1 1 1 -29 15 4  o 202.4536 3.119715 4953.610       152.5908 4724.269       209.1316 5214.705       223.1408 197.4581 4.377664 207.4490 4.445958 -9.990906      6.239429 
1 1 1 -29 15 5  o 259.5919 3.650761 8159.700       229.0840 8430.810       332.6123 7915.033       315.9749 263.6825 5.213804 255.5013 5.111603 8.181183       7.301523 
1 1 1 -29 15 6  o 209.6787 3.185368 5328.190       161.5865 5363.911       229.5215 5293.087       227.5272 210.3750 4.509483 208.9824 4.500093 1.392654       6.370736 
1 1 1 -29 15 7  o 89.25099 2.763228 964.9946       59.66313 968.9211       84.91171 961.1656       83.85110 89.42973 3.924491 89.07224 3.891026 0.3574905      5.526455 
1 1 1 -29 15 8  o 175.5327 2.900747 3724.548       123.0205 3554.903       168.6961 3917.234       179.7878 171.2767 4.071031 179.7887 4.133286 -8.512039      5.801495 
1 1 1 -29 15 9  o 161.8030 3.991969 3173.015       156.2702 3173.015       156.2702 0.000000       0.000000 161.8030 3.991969 ?        ?        ?              ?        
1 1 1 -29 15 10 o 128.4781 2.673411 1994.738       82.97237 1874.991       113.7718 2130.785       121.2679 124.3718 3.781030 132.5844 3.780518 -8.212570      5.346821 
1 1 1 -29 15 11 o 285.7356 3.930584 9928.088       271.6514 10111.63       389.6242 9754.473       378.9445 288.2964 5.586044 283.1748 5.531190 5.121613       7.861168 
1 1 1 -29 15 12 o 91.09674 2.774980 1007.414       61.15916 1012.701       86.54034 1002.139       86.44397 91.33617 3.916278 90.85731 3.932534 0.4788666      5.549960 
1 1 1 -29 15 13 o 73.62307 3.021754 659.9719       53.71751 648.6664       78.08281 670.1306       74.01628 73.00957 4.420519 74.23656 4.121042 -1.226990      6.043507 
1 1 1 -29 15 14 o 42.11000 4.502915 226.5637       43.31803 193.6831       66.80296 250.4208       56.90295 38.97517 7.354073 45.24483 5.198325 -6.269665      9.005830 
1 1 1 -29 15 15 o 73.32941 2.930790 656.1895       51.98022 673.0983       74.60085 640.2336       72.46782 74.24567 4.153080 72.41313 4.136429 1.832542       5.861580 
1 1 1 -29 15 16 o 48.64105 3.804477 281.8907       43.95314 349.7167       70.80376 239.3659       56.06344 53.21656 5.499299 44.06554 5.258698 9.151012       7.608955 
1 1 1 -29 15 17 o 37.40301 5.299232 198.2003       45.08518 120.8733       72.85404 246.1938       57.39569 30.24925 9.164016 44.55677 5.324309 -14.30752      10.59846 
1 1 1 -29 15 18 o 27.29918 5.925062 93.12981       42.15395 127.2838       68.94816 72.74274       53.26960 30.63502 8.823083 23.96334 7.910665 6.671673       11.85012 
1 1 1 -29 15 19 o 61.41996 3.496215 471.0130       51.55216 491.4006       78.54387 455.5831       68.33008 62.46664 5.197109 60.37328 4.678050 2.093361       6.992431 
1 1 1 -29 15 20 o 32.44592 7.431354 135.5321       62.69454 246.0440       117.4598 91.50507       74.13855 39.01162 11.59516 25.88022 9.297975 13.13140       14.86271 
1 1 1 -29 17 1  o 142.0931 2.827684 2445.270       97.15402 2331.811       135.8347 2564.102       139.0136 138.7173 4.047413 145.4688 3.949890 -6.751450      5.655368 
1 1 1 -29 17 2  f 195.9118 3.097645 4644.593       146.6936 4844.965       212.9440 4463.623       202.3717 199.9244 4.402479 191.8991 4.358877 8.025299       6.195291 
1 1 1 -29 17 3  o 225.8800 3.348910 6183.323       182.9562 6320.551       262.8003 6054.262       254.8606 228.3081 4.757756 223.4518 4.714292 4.856293       6.697820 
1 1 1 -29 17 4  o 247.9373 3.563093 7456.640       213.7286 7442.976       301.1915 7470.500       303.3357 247.7103 5.025697 248.1643 5.052216 -0.4540253     7.126185 
1 1 1 -29 17 5  o 112.2254 3.928771 1526.206       106.6720 1526.206       106.6720 0.000000       0.000000 112.2254 3.928771 ?        ?        ?              ?        
1 1 1 -29 17 6  o 217.7260 3.264979 5744.331       171.9045 5913.467       247.8039 5587.431       238.6723 220.8102 4.638599 214.6418 4.596057 6.168320       6.529957 
1 1 1 -29 17 7  o 213.6897 3.279866 5538.411       169.4848 5499.374       235.6715 5580.228       243.9164 212.9183 4.575006 214.4611 4.700999 -1.542786      6.559731 
1 1 1 -29 17 8  o 29.82907 5.918223 112.3304       45.07967 87.42245       65.81784 134.3398       61.86973 27.13285 8.784345 32.52530 7.933270 -5.392441      11.83645 
1 1 1 -29 17 9  o 268.3072 3.756295 8749.671       243.7528 8923.542       350.2880 8586.436       339.4064 270.8815 5.344950 265.7328 5.279253 5.148682       7.512589 
1 1 1 -29 17 10 o 110.1648 2.727319 1471.653       72.65806 1422.104       101.0128 1524.772       104.5885 108.2451 3.857141 112.0844 3.856882 -3.839294      5.454638 
1 1 1 -29 17 11 o 64.06282 3.301870 498.0459       51.04612 518.8555       75.46709 480.4954       69.30602 65.28368 4.778050 62.84197 4.558467 2.441708       6.603741 
1 1 1 -29 17 12 o 98.00228 2.822446 1167.917       66.79419 1179.260       97.72389 1157.971       91.50497 98.43251 4.103552 97.57205 3.876296 0.8604584      5.644892 
1 1 1 -29 17 13 f 63.21506 3.460540 488.9359       52.87939 486.8862       76.30322 490.8300       73.34969 63.07207 5.000385 63.35805 4.785134 -0.2859726     6.921081 
1 1 1 -29 17 14 o 114.1920 2.728867 1588.760       75.31730 1689.181       108.7615 1496.228       104.4017 117.6635 3.820596 110.7204 3.897424 6.943169       5.457734 
1 1 1 -29 17 15 o 94.22586 2.855013 1081.941       64.93819 1178.224       95.45700 998.9954       88.59894 98.11524 4.021324 90.33648 4.053807 7.778763       5.710026 
1 1 1 -29 17 16 o 87.29109 3.055417 941.9800       64.19447 877.4171       93.45162 999.6650       88.33379 84.35486 4.579040 90.22732 4.046565 -5.872459      6.110834 
1 1 1 -29 17 17 o 54.64360 3.949914 370.3961       51.76457 405.0764       79.77577 345.1754       68.03123 56.74918 5.810442 52.53802 5.352199 4.211159       7.899827 
1 1 1 -29 17 18 o 89.23260 3.085662 971.1275       65.71234 1114.017       103.8607 875.7465       84.85585 94.48934 4.543245 83.97585 4.176620 10.51349       6.171324 
1 1 1 -29 17 19 o 19.63142 5.920188 19.71024       48.44855 11.40505       79.94904 24.53013       60.90556 20.13818 8.766796 19.12465 7.958504 1.013525       11.84038 
1 1 1 -29 17 20 o 21.12335 6.805354 2.096597       71.46252 18.60797       127.8284 -5.409875      86.18938 23.10106 10.49513 19.14565 8.666237 3.955410       13.61071 
1 1 1 -29 19 1  o 146.4915 2.860685 2603.023       101.3839 2590.207       142.6420 2616.108       144.1263 146.1282 4.034699 146.8549 4.056510 -0.7266235     5.721370 
1 1 1 -29 19 2  o 88.79282 3.002049 956.9341       64.45981 989.2110       91.03833 924.4842       91.28204 90.29968 4.167117 87.28595 4.322536 3.013733       6.004097 
1 1 1 -29 19 3  o 114.8482 2.811578 1599.803       78.12165 1595.316       110.6514 1604.262       110.3108 114.6868 3.987872 115.0097 3.964436 -0.3228683     5.623156 
1 1 1 -29 19 4  o 144.5227 2.825469 2531.780       98.70739 2491.980       136.3380 2575.622       143.0936 143.3363 3.931500 145.7091 4.059114 -2.372818      5.650938 
1 1 1 -29 19 5  o 137.0093 2.805078 2277.510       92.97208 2315.252       131.4880 2239.775       131.4768 138.1478 3.934050 135.8708 3.999637 2.276962       5.610156 
1 1 1 -29 19 6  o 56.26321 3.867550 383.8466       52.55177 412.4372       77.01093 358.9308       71.89173 58.21704 5.467640 54.30938 5.471442 3.907665       7.735099 
1 1 1 -29 19 7  o 158.8848 4.069649 3064.992       156.4377 0.000000       0.000000 3064.992       156.4377 ?        ?        158.8848 4.069649 ?              ?        
1 1 1 -29 19 8  o 44.77906 4.581239 245.9035       49.47130 227.9341       70.88490 262.9676       69.07613 43.15606 6.789061 46.40207 6.153019 -3.246017      9.162477 
1 1 1 -29 19 9  o 39.82846 5.144933 198.5484       47.87751 257.9037       69.92536 146.1641       65.69091 45.89634 6.297299 33.76057 8.137896 12.13577       10.28987 
1 1 1 -29 19 10 o 48.81898 4.240104 291.2003       49.85731 302.2936       74.64728 282.2660       66.99034 49.63124 6.216651 48.00671 5.767770 1.624531       8.480207 
1 1 1 -29 19 11 o 77.36317 3.215688 726.5424       60.00728 794.3264       89.02695 670.1063       81.23370 80.64783 4.562747 74.07851 4.532540 6.569328       6.431375 
1 1 1 -29 19 12 f 47.88627 4.581949 284.6383       52.92697 269.8429       76.45236 298.2553       73.34441 46.63691 6.775773 49.13564 6.169758 -2.498726      9.163898 
1 1 1 -29 19 13 o 29.80770 5.859988 102.8546       46.62295 185.5178       73.23006 46.50831       60.45968 37.63884 8.267798 21.97656 8.306705 15.66228       11.71998 
1 1 1 -29 19 14 o 39.78264 5.328551 201.6629       49.64867 280.7170       74.14313 137.3970       66.84958 47.37372 6.468910 32.19156 8.469181 15.18216       10.65710 
1 1 1 -29 19 15 o 39.28339 5.455773 199.8297       50.58783 289.2255       75.29152 126.2610       68.30208 47.88531 6.498924 30.68147 8.765035 17.20383       10.91155 
1 1 1 -29 19 16 o 92.04933 3.124201 1048.925       69.14439 1062.536       103.9764 1038.133       92.58232 92.46577 4.647841 91.63290 4.176134 0.8328705      6.248402 
1 1 1 -29 19 17 o 60.07570 3.924031 447.4846       56.29073 530.1245       88.75598 391.8768       72.80666 64.53546 5.684561 55.61594 5.410900 8.919518       7.848062 
1 1 1 -29 19 18 o 56.60087 4.588557 416.6803       62.01060 520.1416       93.22733 334.5839       83.04559 63.08403 6.108315 50.11771 6.848935 12.96631       9.177114 
1 1 1 -29 19 19 o 44.48324 8.033491 326.0519       83.42061 403.9262       143.1659 286.0202       102.6465 47.05522 12.40093 41.91125 10.21591 5.143963       16.06698 
1 1 1 -29 21 1  o 56.11560 4.060515 390.3710       54.24242 321.9439       78.56814 452.6883       74.97844 51.28818 6.331795 60.94302 5.085225 -9.654835      8.121031 
1 1 1 -29 21 2  o 51.61933 4.230583 323.6040       52.48458 380.4243       77.32432 275.0623       71.46973 55.81699 5.725948 47.42167 6.229354 8.395317       8.461166 
1 1 1 -29 21 3  o 89.55048 2.981963 970.4940       64.45422 1055.275       94.94333 898.0211       87.78141 93.16158 4.212358 85.93938 4.221900 7.222198       5.963925 
1 1 1 -29 21 4  o 162.2333 2.926406 3193.764       114.7445 3382.810       166.4597 3022.609       158.3875 166.8011 4.124846 157.6655 4.152235 9.135666       5.852812 
1 1 1 -29 21 5  o 66.17429 3.444497 533.0513       55.06006 545.5543       80.51128 522.0662       75.46666 66.89160 4.974883 65.45699 4.765372 1.434616       6.888993 
1 1 1 -29 21 6  f 125.2956 2.790848 1898.647       84.35126 2100.318       124.5303 1727.675       114.6613 131.4138 3.916803 119.1774 3.976680 12.23647       5.581696 
1 1 1 -29 21 7  o 99.19893 2.953331 1188.660       70.31989 1274.510       107.7454 1124.958       92.81184 102.2639 4.354858 96.13395 3.990473 6.129951       5.906662 
1 1 1 -29 21 8  o 62.05694 3.874798 473.8609       57.92029 448.1214       84.46509 496.7072       79.57664 60.41420 5.778777 63.69968 5.163522 -3.285484      7.749595 
1 1 1 -29 21 9  o 110.5814 2.868356 1488.523       76.62900 1382.962       105.9016 1604.533       111.0190 106.4624 4.111532 114.7004 4.000647 -8.237946      5.736712 
1 1 1 -29 21 10 o 78.26857 3.375587 751.2323       63.87418 716.5917       90.11073 786.2148       90.55436 76.43277 4.872979 80.10437 4.672517 -3.671600      6.751173 
1 1 1 -29 21 11 o 38.76690 5.607383 195.9284       50.78615 190.5575       73.11300 200.9361       70.59794 38.17205 8.163832 39.36174 7.689136 -1.189686      11.21477 
1 1 1 -29 21 12 o 33.87675 6.204620 149.4100       53.06810 212.4861       77.92800 94.86256       72.46833 40.17113 8.293037 27.58238 9.231185 12.58874       12.40924 
1 1 1 -29 21 13 o 122.6623 2.973695 1850.313       88.15728 1967.730       126.0112 1737.754       123.3770 126.5150 4.116846 118.8095 4.292207 7.705513       5.947391 
1 1 1 -29 21 14 o 19.57066 5.929411 2.625866       49.57394 30.13298       77.91416 -16.08436      64.25892 21.94071 9.055089 17.20061 7.657481 4.740101       11.85882 
1 1 1 -29 21 15 o 94.10468 3.258674 1101.633       74.11066 1150.994       107.9303 1057.598       101.9425 96.07422 4.643379 92.13514 4.573277 3.939079       6.517348 
1 1 1 -29 21 16 o 36.03333 6.643375 191.8608       59.59320 149.0122       88.31612 227.6792       80.74666 31.84399 10.16157 40.22267 8.560386 -8.378675      13.28675 
1 1 1 -29 21 17 o 28.01673 7.194218 112.2847       66.11538 59.32147       94.88608 162.2650       92.17537 23.94871 9.947042 32.08475 10.39632 -8.136038      14.38844 
1 1 1 -29 21 18 o 27.18284 7.175048 114.6800       68.48872 44.07299       99.25831 178.8466       94.62320 22.30212 9.736963 32.06356 10.54120 -9.761444      14.35010 
1 1 1 -29 23 1  o 19.12640 5.678593 -1.659307      47.67336 -64.50613      74.76342 41.40456       61.88765 16.51169 7.688252 21.74110 8.359213 -5.229418      11.35719 
1 1 1 -29 23 2  o 105.6681 2.943309 1361.818       75.22170 1406.370       107.8702 1319.646       104.9490 107.3515 4.153282 103.9848 4.171632 3.366623       5.886618 
1 1 1 -29 23 3  o 21.99097 6.024590 41.21773       45.29660 32.58419       71.63202 46.97026       58.47124 22.04308 8.833695 21.93886 8.194422 0.1042252      12.04918 
1 1 1 -29 23 4  o 68.92933 3.525805 577.4864       58.42376 677.7878       86.67270 493.9594       79.09380 74.39986 4.815128 63.45879 5.151673 10.94107       7.051610 
1 1 1 -29 23 5  o 35.36549 5.941400 156.2886       49.63371 207.0839       79.19209 123.4266       63.69667 39.89851 8.466054 30.83245 8.338276 9.066059       11.88280 
1 1 1 -29 23 6  o 29.28135 6.172729 112.1221       50.26826 50.89947       79.16658 153.4817       65.06895 24.22968 9.415870 34.33301 7.984466 -10.10332      12.34546 
1 1 1 -29 23 7  o 36.42260 5.952314 180.3722       51.95315 126.8073       84.33055 213.1379       65.95593 31.43169 9.919028 41.41350 6.582784 -9.981812      11.90463 
1 1 1 -29 23 8  o 66.65600 6.828138 595.4896       102.8515 671.1481       134.7966 490.0655       159.1183 73.03471 7.628642 60.27729 11.32686 12.75742       13.65628 
1 1 1 -29 23 9  o 33.26574 6.447235 146.1714       53.38141 162.0903       78.70388 132.6091       72.64503 34.85640 9.198690 31.67508 9.036119 3.181320       12.89447 
1 1 1 -29 23 10 o 26.00440 6.552857 78.38142       53.32391 45.52618       81.07901 103.4250       70.78719 23.67386 9.428132 28.33494 9.103300 -4.661077      13.10571 
1 1 1 -29 23 11 o 69.66578 3.808470 607.2902       63.84915 560.0389       92.55548 650.1940       88.19492 66.94232 5.714774 72.38924 5.035786 -5.446915      7.616940 
1 1 1 -29 23 12 o 104.8508 3.210424 1362.203       81.42999 1392.002       115.8764 1333.131       114.4555 105.9954 4.518617 103.7063 4.561730 2.289154       6.420847 
1 1 1 -29 23 13 o 26.82032 6.627943 82.15836       55.04168 143.1945       84.22241 36.65586       72.71964 31.92688 9.887237 21.71376 8.829555 10.21312       13.25589 
1 1 1 -29 23 14 o 28.03457 6.925952 107.5987       57.86741 113.7581       82.30605 101.5779       81.37563 28.61091 9.835094 27.45823 9.754289 1.152687       13.85190 
1 1 1 -29 23 15 o 29.45730 7.278322 128.2948       64.11121 148.6037       92.70576 109.6791       88.75699 31.17341 10.44083 27.74118 10.14322 3.432226       14.55664 
1 1 1 -29 23 16 o 52.52199 5.766608 395.1636       72.61462 386.2161       96.32229 406.9433       110.5208 52.38257 7.600421 52.66141 8.674598 -0.2788353     11.53322 
1 1 1 -29 25 1  o 20.39694 5.795196 -4.697809      52.69659 -124.5900      82.63634 77.47052       68.41129 15.20933 7.356215 25.58456 8.956744 -10.37523      11.59039 
1 1 1 -29 25 2  o 56.94347 4.274167 384.3483       57.37902 529.4802       92.86237 294.7180       72.97695 65.26687 5.880912 48.62008 6.203942 16.64679       8.548334 
1 1 1 -29 25 4  o 92.88859 3.186443 1060.794       71.22428 1063.782       106.4126 1058.369       95.86398 92.92886 4.733038 92.84832 4.267555 0.8053589E-01  6.372886 
1 1 1 -29 25 5  o 98.51204 3.132507 1184.264       74.36059 1307.346       111.2809 1084.966       99.95242 103.0890 4.461757 93.93507 4.398081 9.153931       6.265013 
1 1 1 -29 25 6  o 58.59164 4.505018 429.2639       63.13863 520.5073       92.17337 348.6020       86.66409 64.59032 5.898420 52.59295 6.810977 11.99738       9.010036 
1 1 1 -29 25 7  o 85.09149 3.468374 902.8889       70.84955 809.1798       102.7867 987.7131       97.79255 80.70644 5.264126 89.47654 4.517460 -8.770096      6.936748 
1 1 1 -29 25 8  o 100.0579 3.256306 1233.006       78.44284 1415.105       114.7667 1073.346       107.4630 107.0429 4.431550 93.07285 4.772367 13.97004       6.512612 
1 1 1 -29 25 9  o 43.70717 5.616441 284.0943       58.05700 79.47419       84.48619 467.1685       79.91443 26.31879 9.846207 61.09555 5.406465 -34.77676      11.23288 
1 1 1 -29 25 10 o 22.67101 6.131491 36.12735       53.88704 -51.67082      82.22852 102.2155       71.34139 17.63092 8.158809 27.71109 9.155029 -10.08017      12.26298 
1 1 1 -29 25 11 o 21.73589 6.411486 30.09647       55.79888 31.54958       83.84521 28.94128       74.75743 22.24876 9.304790 21.22302 8.823235 1.025736       12.82297 
1 1 1 -29 25 12 o 56.47540 4.955560 426.9217       66.30089 352.0746       96.84533 492.9461       90.95853 51.16783 7.823109 61.78296 6.085166 -10.61513      9.911119 
1 1 1 -29 25 13 o 52.76940 5.217473 379.5146       66.11395 343.3712       95.51282 412.7630       91.60789 49.92027 7.908288 55.61853 6.807868 -5.698265      10.43495 
1 1 1 -29 25 14 o 30.84077 7.388391 144.8489       68.75948 79.52900       91.15367 231.0855       104.7363 24.66803 9.936915 37.01352 10.93668 -12.34549      14.77678 
1 1 1 -29 27 2  o 53.48922 8.149108 426.6100       103.4333 504.1047       136.2588 321.2374       158.8886 61.36468 9.177911 45.61375 13.46840 15.75093       16.29822 
1 1 1 -29 27 3  o 35.60604 6.632729 182.7988       58.99749 132.4297       93.39291 216.2470       76.10590 31.17131 10.47926 40.04077 8.133725 -8.869461      13.26546 
1 1 1 -29 27 4  o 60.41728 4.542617 457.5172       65.84760 536.0134       100.9839 399.4549       86.85107 64.84483 6.436863 55.98972 6.411572 8.855110       9.085234 
1 1 1 -29 27 5  o 81.35085 3.522786 811.5727       68.57251 938.1481       107.1163 723.6804       89.25989 86.55107 5.115415 76.15061 4.844853 10.40046       7.045571 
1 1 1 -29 27 6  o 33.87121 6.913165 164.2149       60.04690 143.7649       91.89479 179.4525       79.32365 31.94882 10.38253 35.79361 9.130738 -3.844790      13.82633 
1 1 1 -29 27 7  o 33.36090 6.859209 160.6982       59.61308 128.9140       89.24454 186.3059       80.10529 30.38456 10.24374 36.33724 9.124737 -5.952682      13.71842 
1 1 1 -29 27 8  o 37.24582 6.612695 195.0464       62.08631 286.1345       92.12512 119.2491       84.03773 45.29041 8.724009 29.20122 9.939951 16.08920       13.22539 
1 1 1 -29 27 9  o 20.95901 7.060695 -92.67696      78.70004 -122.7591      89.81317 6.814991       163.3351 15.65829 7.596138 26.25973 11.90430 -10.60144      14.12139 
1 1 1 -29 27 10 o 30.41754 7.544850 145.3581       81.23634 210.4586       93.33456 -58.06068      164.9856 37.04337 10.12507 23.79172 11.18848 13.25165       15.08970 
1 1 1 -29 27 11 o 62.77981 8.241089 654.8160       117.8126 706.8412       152.6697 578.2272       185.2375 69.43716 9.087799 56.12246 13.75042 13.31469       16.48218 
1 1 1 -29 27 12 f 48.82882 9.331325 481.1887       116.3977 535.7526       150.9610 401.1898       182.7907 55.74960 11.57120 41.90804 14.64247 13.84156       18.66265 
1 1 1 -28 0  1  o 557.0376 7.009596 37597.78       1335.010 37597.78       1335.010 37597.78       1335.010 557.0376 9.913066 557.0376 9.913066 0.000000       0.000000 
1 1 1 -28 0  2  o 401.2221 5.143192 19499.95       705.5258 19499.95       705.5258 19499.95       705.5258 401.2221 7.273572 401.2221 7.273572 0.000000       0.000000 
1 1 1 -28 0  3  o 297.9041 3.981664 10749.52       405.5163 10749.52       405.5163 10749.52       405.5163 297.9041 5.630924 297.9041 5.630924 0.000000       0.000000 
1 1 1 -28 0  4  o 150.7287 2.514178 2753.142       129.4980 2753.142       129.4980 2753.142       129.4980 150.7287 3.555585 150.7287 3.555585 0.000000       0.000000 
1 1 1 -28 0  5  o 73.03418 2.233845 648.9100       55.58326 648.9100       55.58326 648.9100       55.58326 73.03418 3.159134 73.03418 3.159134 0.000000       0.000000 
1 1 1 -28 0  6  o 168.6023 2.658330 3444.298       153.1800 3444.298       153.1800 3444.298       153.1800 168.6023 3.759447 168.6023 3.759447 0.000000       0.000000 
1 1 1 -28 0  7  o 181.4501 2.779577 3989.025       172.3824 3989.025       172.3824 3989.025       172.3824 181.4501 3.930915 181.4501 3.930915 0.000000       0.000000 
1 1 1 -28 0  8  o 451.3115 5.721292 24686.13       882.8215 24686.13       882.8215 24686.13       882.8215 451.3115 8.091128 451.3115 8.091128 0.000000       0.000000 
1 1 1 -28 0  9  o 115.3681 2.238548 1614.019       88.21234 1614.019       88.21234 1614.019       88.21234 115.3681 3.165785 115.3681 3.165785 0.000000       0.000000 
1 1 1 -28 0  10 o 207.3401 3.016886 5209.413       213.8180 5209.413       213.8180 5209.413       213.8180 207.3401 4.266521 207.3401 4.266521 0.000000       0.000000 
1 1 1 -28 0  11 o 161.2622 2.592544 3152.010       142.8792 3152.010       142.8792 3152.010       142.8792 161.2622 3.666411 161.2622 3.666411 0.000000       0.000000 
1 1 1 -28 0  12 o 97.34815 2.162800 1150.154       71.87691 1150.154       71.87691 1150.154       71.87691 97.34815 3.058661 97.34815 3.058661 0.000000       0.000000 
1 1 1 -28 0  13 o 19.22468 5.086195 60.26500       31.20255 60.26500       31.20255 60.26500       31.20255 19.22468 7.192967 19.22468 7.192967 0.000000       0.000000 
1 1 1 -28 0  14 o 32.37674 3.370359 134.9152       34.96259 134.9152       34.96259 134.9152       34.96259 32.37674 4.766407 32.37674 4.766407 0.000000       0.000000 
1 1 1 -28 0  15 f 228.2070 3.245276 6315.275       253.1636 6315.275       253.1636 6315.275       253.1636 228.2070 4.589513 228.2070 4.589513 0.000000       0.000000 
1 1 1 -28 2  1  o 373.7906 6.832589 16890.15       616.9291 17525.28       903.5681 16335.51       844.3758 380.3511 9.819151 367.2301 9.503755 13.12100       13.66518 
1 1 1 -28 2  2  o 750.8309 10.78391 67801.31       1673.204 67230.64       1915.692 69637.13       3435.966 744.8842 10.63003 756.7776 18.76629 -11.89343      21.56783 
1 1 1 -28 2  3  o 282.8928 4.397265 9721.148       262.1252 9757.389       303.8496 9615.705       518.2905 283.9671 4.422709 281.8184 7.601540 2.148682       8.794531 
1 1 1 -28 2  4  o 349.6835 5.236976 14925.98       388.3596 15059.70       452.3130 14550.86       757.5787 352.7596 5.299780 346.6073 9.034158 6.152313       10.47395 
1 1 1 -28 2  5  o 382.3542 5.685820 17709.12       456.2818 17714.92       527.3985 17691.85       909.8276 382.5779 5.697925 382.1306 9.841130 0.4472961      11.37164 
1 1 1 -28 2  6  o 504.5923 7.360260 30595.06       767.9384 30352.24       879.5037 31374.18       1575.413 500.6696 7.260793 508.5151 12.80526 -7.845428      14.72052 
1 1 1 -28 2  7  o 269.4431 4.211332 8895.760       241.2751 9015.974       281.7450 8565.140       467.2433 272.9497 4.266494 265.9364 7.262115 7.013367       8.422665 
1 1 1 -28 2  8  o 211.4181 3.530149 5408.773       156.2524 5406.431       180.3431 5415.824       312.9304 211.3667 3.526635 211.4695 6.116426 -0.1028137     7.060299 
1 1 1 -28 2  9  o 131.2045 2.722226 2130.433       75.58231 2182.763       88.29285 1986.913       146.2201 134.3077 2.717205 128.1013 4.717928 6.206421       5.444451 
1 1 1 -28 2  10 o 215.7268 3.597728 5548.221       159.8439 5469.753       182.4548 5807.258       331.5052 212.5721 3.547698 218.8815 6.260066 -6.309448      7.195456 
1 1 1 -28 2  11 o 278.0110 4.361605 9281.566       250.9333 9198.817       287.4373 9546.698       514.5062 275.5994 4.310846 280.4225 7.583600 -4.823120      8.723209 
1 1 1 -28 2  12 o 330.8741 4.347637 13253.82       347.5354 12817.12       476.3071 13751.01       508.2223 325.0707 6.056293 336.6776 6.239319 -11.60687      8.695274 
1 1 1 -28 2  13 o 63.14283 2.268981 483.9252       34.57409 457.9549       49.77786 508.1317       48.05778 61.49961 3.345505 64.78606 3.066054 -3.286449      4.537961 
1 1 1 -28 2  14 o 222.3845 3.179413 5972.382       170.6715 6312.380       251.9979 5684.268       231.9753 228.2036 4.564279 216.5654 4.427418 11.63823       6.358826 
1 1 1 -28 2  15 o 100.5814 3.124801 1225.226       76.04001 1225.226       76.04001 0.000000       0.000000 100.5814 3.124801 ?        ?        ?              ?        
1 1 1 -28 2  16 o 171.0356 3.298204 3655.169       131.6900 4051.158       171.4295 3085.068       205.6932 182.7646 3.876959 159.3066 5.336834 23.45799       6.596408 
1 1 1 -28 4  1  o 406.0565 5.971321 20235.26       519.0112 20551.37       608.6872 19393.22       993.4282 412.0547 6.105721 400.0584 10.26386 11.99631       11.94264 
1 1 1 -28 4  2  o 577.8008 8.946770 39567.75       1143.065 38290.02       1353.325 42748.36       2135.195 562.1714 9.950186 593.4301 14.87187 -31.25867      17.89354 
1 1 1 -28 4  3  o 463.8923 7.191709 26115.34       763.2010 26200.54       938.3555 25948.84       1311.815 465.1361 8.338445 462.6485 11.71977 2.487640       14.38342 
1 1 1 -28 4  4  f 141.0889 2.843094 2423.138       84.17360 2437.943       97.42158 2379.536       167.1876 141.9537 2.836653 140.2241 4.928097 1.729599       5.686189 
1 1 1 -28 4  5  o 152.3680 2.947130 2866.518       94.93047 2929.836       110.7590 2691.255       184.2717 155.6150 2.941881 149.1210 5.107607 6.494003       5.894261 
1 1 1 -28 4  6  o 200.4442 3.422204 4970.034       146.6556 5098.943       172.3491 4631.767       279.1884 205.2819 3.470213 195.6065 5.899453 9.675369       6.844408 
1 1 1 -28 4  7  o 362.9364 5.452089 15870.81       411.1968 15786.97       472.3328 16133.25       835.6777 361.1137 5.406321 364.7592 9.469571 -3.645447      10.90418 
1 1 1 -28 4  8  o 254.7579 4.080854 7692.987       212.2018 7553.477       241.0347 8173.707       447.4267 249.8120 3.988081 259.7039 7.121004 -9.891830      8.161709 
1 1 1 -28 4  9  o 135.6258 2.767722 2182.303       77.34743 2143.329       88.22884 2311.719       160.7737 133.0862 2.740156 138.1655 4.809645 -5.079300      5.535444 
1 1 1 -28 4  10 o 278.6035 4.372762 9338.992       252.4036 9273.625       289.4081 9546.698       515.8868 276.7339 4.322610 280.4731 7.602580 -3.739197      8.745523 
1 1 1 -28 4  11 o 159.9352 3.025999 3055.596       99.63516 3018.110       113.7593 3179.060       206.4555 157.9079 2.977699 161.9625 5.268775 -4.054565      6.051999 
1 1 1 -28 4  12 o 224.7237 3.708639 6206.128       176.5756 6299.518       205.8944 5946.460       343.3239 228.0799 3.731256 221.3674 6.410441 6.712509       7.417279 
1 1 1 -28 4  13 o 292.6992 4.523913 10528.05       281.6530 10672.94       329.0413 10130.88       544.7757 296.7645 4.582856 288.6339 7.801320 8.130585       9.047827 
1 1 1 -28 4  14 o 96.47515 2.639484 1128.149       52.47496 1128.748       60.12836 1126.234       107.4803 96.56444 2.573711 96.38586 4.609068 0.1785736      5.278968 
1 1 1 -28 4  15 o 72.60575 3.219500 638.5466       56.55380 638.5466       56.55380 0.000000       0.000000 72.60575 3.219500 ?        ?        ?              ?        
1 1 1 -28 4  16 o 141.9061 3.440208 2441.380       118.1104 2441.380       118.1104 0.000000       0.000000 141.9061 3.440208 ?        ?        ?              ?        
1 1 1 -28 4  17 o 44.55466 3.249310 240.8255       35.02568 240.8255       35.02568 0.000000       0.000000 44.55466 3.249310 ?        ?        ?              ?        
1 1 1 -28 6  1  o 131.5557 2.473312 2091.006       78.66232 2180.523       113.8994 2009.373       108.7685 134.2437 3.506917 128.8678 3.488643 5.375916       4.946624 
1 1 1 -28 6  2  o 268.8848 5.198669 8750.283       338.1900 0.000000       0.000000 8750.283       338.1900 ?        ?        268.8848 5.198669 ?              ?        
1 1 1 -28 6  3  o 290.6592 3.908713 10223.97       274.8340 10124.44       385.1504 10327.22       392.2961 289.2189 5.504290 292.0996 5.551122 -2.880646      7.817427 
1 1 1 -28 6  4  o 400.6071 6.310877 19299.99       570.8737 19047.75       690.3876 19845.33       1015.129 396.6095 7.194946 404.6047 10.37022 -7.995209      12.62175 
1 1 1 -28 6  5  o 497.8129 7.644696 30353.77       882.6006 31140.29       1108.953 28994.65       1457.771 506.8963 9.042563 488.7295 12.32873 18.16684       15.28939 
1 1 1 -28 6  6  o 276.6588 4.576173 9352.938       292.4717 8985.128       488.1389 9558.925       365.3012 272.3270 7.408844 280.9907 5.373496 -8.663727      9.152346 
1 1 1 -28 6  7  o 46.25461 2.714839 259.2073       30.35030 249.5055       43.31810 268.5621       42.53619 45.40294 3.943511 47.10628 3.732309 -1.703335      5.429678 
1 1 1 -28 6  8  o 146.3366 3.019253 2590.314       101.3421 2585.500       124.7812 2599.643       173.6984 146.1558 3.528831 146.5174 4.900094 -0.3615875     6.038507 
1 1 1 -28 6  9  f 425.0526 5.428438 21923.54       558.2383 21933.20       789.9140 21913.90       789.0232 425.1457 7.679620 424.9595 7.674321 0.1861877      10.85688 
1 1 1 -28 6  10 o 122.5433 2.354211 1817.736       69.79263 1810.802       98.07234 1824.852       99.34330 122.3069 3.314311 122.7797 3.344335 -0.4727859     4.708422 
1 1 1 -28 6  11 o 425.1699 5.438823 21941.71       559.0893 22454.97       808.6573 21471.71       773.8351 429.9094 7.774730 420.4304 7.607677 9.479004       10.87765 
1 1 1 -28 6  12 o 187.7058 2.867969 4267.281       130.2344 4322.286       185.4344 4213.741       182.9493 188.8992 4.057494 186.5124 4.054346 2.386810       5.735937 
1 1 1 -28 6  13 o 114.8078 3.055210 1665.162       79.52108 1824.604       99.60425 1384.890       132.0583 122.7493 3.353949 106.8663 5.107666 15.88304       6.110420 
1 1 1 -28 6  14 o 272.6671 4.302057 9132.615       248.4864 9245.418       289.5510 8817.371       484.0476 276.1711 4.333557 269.1630 7.433107 7.008087       8.604115 
1 1 1 -28 6  15 o 119.7766 2.978195 1791.291       81.76331 1920.648       102.7624 1568.114       134.9784 125.8995 3.373711 113.6536 4.908835 12.24586       5.956391 
1 1 1 -28 6  16 o 42.51103 3.239198 176.9375       27.55270 149.4851       30.39926 303.2719       65.21283 35.10550 3.579197 49.91657 5.399904 -14.81107      6.478396 
1 1 1 -28 6  17 o 68.81509 2.106921 548.4777       34.22260 751.1251       55.12780 421.4155       43.65242 78.69469 2.895496 58.93548 3.061464 19.75920       4.213841 
1 1 1 -28 6  18 o 45.93180 3.417306 256.6134       37.97516 256.6134       37.97516 0.000000       0.000000 45.93180 3.417306 ?        ?        ?              ?        
1 1 1 -28 6  19 o 38.71945 3.028681 182.4253       28.37167 182.4253       28.37167 0.000000       0.000000 38.71945 3.028681 ?        ?        ?              ?        
1 1 1 -28 8  1  o 705.2781 8.756510 60434.52       1494.011 59986.40       2095.929 60897.41       2130.190 702.6342 12.32948 707.9221 12.43743 -5.287842      17.51302 
1 1 1 -28 8  2  o 620.0192 7.733885 46658.49       1160.124 46610.21       1638.864 46706.98       1642.468 619.6989 10.93100 620.3394 10.94372 -0.6405640     15.46777 
1 1 1 -28 8  3  o 205.3822 3.064748 5092.164       152.0399 4881.054       207.9102 5334.826       222.9060 200.8200 4.279240 209.9445 4.388489 -9.124451      6.129497 
1 1 1 -28 8  4  o 538.0103 6.771338 34726.17       873.4824 32410.85       1146.788 37925.52       1348.056 516.9495 9.169230 559.0711 9.966407 -42.12158      13.54268 
1 1 1 -28 8  5  f 428.2178 5.468976 22221.95       566.4691 22504.75       811.4861 21953.17       791.1186 430.8685 7.784558 425.5671 7.683713 5.301392       10.93795 
1 1 1 -28 8  6  o 240.5285 3.395339 7005.030       197.5837 7008.152       279.1790 7001.897       279.6727 240.5825 4.796413 240.4746 4.807050 0.1078949      6.790678 
1 1 1 -28 8  7  o 323.9893 4.278950 12705.64       335.1259 12391.43       462.6446 13052.52       486.1046 319.7861 5.979784 328.1924 6.122078 -8.406281      8.557900 
1 1 1 -28 8  8  o 83.92091 2.918453 822.3084       55.61616 940.0356       100.0785 769.7050       66.89734 88.10025 4.695276 79.74157 3.467542 8.358681       5.836905 
1 1 1 -28 8  9  o 236.0805 3.336551 6750.990       190.5661 6797.892       270.8635 6705.020       268.1593 236.8919 4.726046 235.2692 4.711135 1.622711       6.673103 
1 1 1 -28 8  10 o 63.89396 3.361012 507.4869       45.89992 523.0612       54.00848 466.9839       87.09653 65.72987 3.396228 62.05804 5.800969 3.671837       6.722023 
1 1 1 -28 8  11 o 117.9965 2.862993 1691.271       78.41877 1669.245       130.4138 1703.745       98.14394 117.3711 4.592616 118.6219 3.419764 -1.250824      5.725985 
1 1 1 -28 8  12 o 232.6933 3.315523 6561.770       186.6345 6501.172       261.6358 6624.551       266.3083 231.6015 4.669318 233.7851 4.708315 -2.183578      6.631046 
1 1 1 -28 8  13 f 111.8002 2.400877 1512.108       64.89451 1470.295       89.73544 1557.952       93.95960 110.1828 3.366261 113.4175 3.424198 -3.234657      4.801754 
1 1 1 -28 8  14 f 122.0695 2.435429 1805.063       71.92119 1782.190       101.0466 1828.549       102.3906 121.2858 3.443572 122.8531 3.444860 -1.567276      4.870857 
1 1 1 -28 8  15 o 67.05424 3.421689 545.0745       55.50972 545.0745       55.50972 0.000000       0.000000 67.05424 3.421689 ?        ?        ?              ?        
1 1 1 -28 8  16 o 27.59809 4.191725 97.14084       27.07575 88.72658       40.07411 104.2080       36.72633 26.42440 6.347804 28.77179 5.476094 -2.347397      8.383450 
1 1 1 -28 8  17 o 155.5761 5.239374 2958.953       197.2081 0.000000       0.000000 2958.953       197.2081 ?        ?        155.5761 5.239374 ?              ?        
1 1 1 -28 8  18 o 152.3613 3.135543 2873.039       110.2115 2960.147       137.8349 2718.620       183.5192 155.8623 3.655240 148.8603 5.095658 7.001953       6.271086 
1 1 1 -28 8  19 o 66.30921 3.265219 536.0172       52.38277 536.0172       52.38277 0.000000       0.000000 66.30921 3.265219 ?        ?        ?              ?        
1 1 1 -28 8  20 o 62.59998 3.102287 478.5675       46.98492 478.5675       46.98492 0.000000       0.000000 62.59998 3.102287 ?        ?        ?              ?        
1 1 1 -28 10 1  o 622.9134 7.785787 47192.80       1173.363 47210.86       1659.011 47174.72       1659.761 623.0341 11.00614 622.7927 11.01538 0.2413330      15.57157 
1 1 1 -28 10 2  o 472.9136 5.999228 27135.41       686.3340 27388.08       979.1018 26891.31       962.3606 475.0717 8.518563 470.7556 8.449677 4.316193       11.99846 
1 1 1 -28 10 3  o 361.2874 4.713354 15811.77       411.8136 16117.62       592.9548 15526.79       572.3749 364.6546 6.721058 357.9202 6.609857 6.734344       9.426708 
1 1 1 -28 10 4  o 308.5981 4.131274 11459.59       306.9620 12320.37       462.5089 10781.93       410.3722 318.8718 5.995172 298.3244 5.685737 20.54742       8.262547 
1 1 1 -28 10 5  o 179.5389 2.850541 3901.467       123.8037 3830.767       173.5151 3974.784       176.6981 177.8824 4.031827 181.1953 4.030720 -3.312912      5.701082 
1 1 1 -28 10 6  o 207.3348 3.080354 5193.785       154.3052 5425.555       225.5590 4989.902       211.5546 211.6705 4.404509 202.9991 4.307508 8.671402       6.160708 
1 1 1 -28 10 9  o 114.0932 2.400464 1576.001       66.25156 1575.865       94.48751 1576.133       92.91985 114.0875 3.423213 114.0988 3.366084 -0.1132202E-01 4.800928 
1 1 1 -28 10 10 o 239.3190 3.386054 6939.363       196.0239 7035.758       280.1886 6846.948       274.3430 240.9449 4.806518 237.6932 4.770621 3.251678       6.772108 
1 1 1 -28 10 11 o 49.60025 3.070664 298.6921       36.77501 282.8423       52.68003 313.7578       51.36050 48.31107 4.507098 50.88943 4.171568 -2.578362      6.141328 
1 1 1 -28 10 12 o 183.2333 3.545380 4004.938       146.4294 4254.610       263.2129 3893.034       176.2149 187.2217 5.810970 179.2450 4.063434 7.976700       7.090759 
1 1 1 -28 10 13 o 214.8253 3.156595 5594.133       164.0249 5700.229       235.0176 5493.373       229.0308 216.8085 4.480451 212.8421 4.447686 3.966415       6.313189 
1 1 1 -28 10 14 f 132.5550 2.536704 2130.415       81.33330 2148.052       114.0926 2112.190       115.9759 133.1165 3.542608 131.9936 3.631721 1.122925       5.073409 
1 1 1 -28 10 15 o 40.64973 3.424885 201.1268       33.63721 213.3862       47.61507 188.9135       47.52546 41.89373 4.697785 39.40572 4.984995 2.488010       6.849771 
1 1 1 -28 10 16 o 161.9808 2.690166 3187.932       105.4009 3275.362       150.8475 3104.529       147.3335 164.1512 3.798323 159.8105 3.810604 4.340652       5.380331 
1 1 1 -28 10 17 o 61.92553 2.635604 469.7837       39.22641 434.7022       57.45659 500.4100       53.68437 59.71871 3.976739 64.13235 3.459939 -4.413639      5.271208 
1 1 1 -28 10 18 o 58.17171 2.712891 417.4337       37.75496 355.3351       54.33975 475.3880       52.49517 53.89729 4.167239 62.44612 3.474655 -8.548824      5.425781 
1 1 1 -28 10 19 o 34.20531 3.745171 151.8935       29.07969 110.4574       42.43562 188.5782       39.92856 29.22462 6.194142 39.18601 4.211631 -9.961390      7.490343 
1 1 1 -28 10 20 o 15.90802 6.359404 17.86126       37.02393 17.86126       37.02393 0.000000       0.000000 15.90802 6.359404 ?        ?        ?              ?        
1 1 1 -28 12 1  o 45.54689 3.823720 254.6925       41.57362 222.4114       61.33584 282.1268       56.54401 42.83421 5.918631 48.25958 4.842847 -5.425377      7.647441 
1 1 1 -28 12 2  o 343.7385 4.536582 14251.63       375.8402 13506.02       505.4556 15173.65       562.0786 333.7562 6.259669 353.7207 6.568016 -19.96454      9.073163 
1 1 1 -28 12 3  o 378.7510 4.930799 17401.96       451.8047 17307.05       635.0866 17499.22       642.8814 377.7091 6.949814 379.7930 6.996513 -2.083923      9.861598 
1 1 1 -28 12 4  o 226.3843 3.291458 6199.382       180.1166 6401.797       261.5185 6016.719       248.4318 229.8920 4.701931 222.8765 4.607236 7.015457       6.582915 
1 1 1 -28 12 5  o 177.2663 2.869989 3798.070       122.9608 3645.364       169.3087 3968.510       178.8705 173.5040 4.033364 181.0286 4.084033 -7.524567      5.739979 
1 1 1 -28 12 6  o 502.2242 6.356183 30677.52       772.2990 30530.05       1087.512 30827.56       1096.940 501.0118 8.971886 503.4366 9.006083 -2.424805      12.71237 
1 1 1 -28 12 7  o 168.6336 2.773168 3443.297       113.1322 3387.436       158.8964 3500.729       161.1129 167.2464 3.926944 170.0207 3.916753 -2.774277      5.546336 
1 1 1 -28 12 8  o 186.4926 4.122411 4212.783       186.0009 0.000000       0.000000 4212.783       186.0009 ?        ?        186.4926 4.122411 ?              ?        
1 1 1 -28 12 9  f 71.28336 2.724240 615.3127       46.97391 622.1171       67.20429 608.8126       65.68408 71.66806 3.875869 70.89864 3.829304 0.7694168      5.448480 
1 1 1 -28 12 10 o 58.48272 3.067456 412.6914       43.27824 458.9534       63.36736 372.2469       59.24931 61.54330 4.255813 55.42215 4.418732 6.121155       6.134911 
1 1 1 -28 12 11 o 220.3698 3.235315 5885.800       172.4649 5972.403       246.6302 5802.926       241.2628 221.9538 4.592841 218.7856 4.557946 3.168198       6.470631 
1 1 1 -28 12 12 o 148.3003 2.670469 2664.044       95.78309 2762.022       136.9127 2570.123       134.0482 150.9717 3.748400 145.6288 3.804619 5.342880       5.340939 
1 1 1 -28 12 13 f 33.57203 4.849994 142.4217       37.94943 141.0851       56.05069 143.5530       51.56651 33.38196 7.155163 33.76210 6.549306 -0.3801460     9.699988 
1 1 1 -28 12 14 o 111.3183 2.530002 1502.987       68.13031 1531.093       97.17198 1475.811       95.55011 112.3419 3.575171 110.2947 3.580753 2.047272       5.060004 
1 1 1 -28 12 15 o 25.31938 5.007034 79.97090       34.30266 36.48655       49.78485 119.2738       47.33072 20.01892 7.544758 30.61985 6.584692 -10.60093      10.01407 
1 1 1 -28 12 16 o 179.1337 3.549070 3894.411       143.4059 4013.087       255.3611 3839.743       173.3166 180.7557 5.839293 177.5117 4.035624 3.243988       7.098140 
1 1 1 -28 12 17 o 43.80561 3.601599 237.5739       37.39232 226.0005       58.28098 245.6709       48.74820 42.81777 5.626009 44.79344 4.498232 -1.975670      7.203199 
1 1 1 -28 12 18 o 43.74561 3.433472 234.3517       35.93289 245.1170       55.60496 226.6327       47.08476 44.55188 5.158759 42.93934 4.532341 1.612537       6.866943 
1 1 1 -28 12 20 o 58.21409 2.895871 418.8919       40.67426 428.7503       60.05612 410.5379       55.28395 58.80402 4.221317 57.62416 3.965447 1.179859       5.791743 
1 1 1 -28 14 1  o 122.1979 2.645924 1808.191       78.22342 1822.011       110.9148 1794.514       110.3367 122.6627 3.737444 121.7332 3.746353 0.9294128      5.291847 
1 1 1 -28 14 2  o 129.5056 2.651422 2030.703       83.06286 2045.490       118.6504 2016.490       116.3215 129.9671 3.773406 129.0442 3.725796 0.9229126      5.302844 
1 1 1 -28 14 3  o 310.3941 4.172594 11647.90       312.6488 12222.50       461.2228 11159.39       425.2669 317.4398 6.005471 303.3484 5.794521 14.09143       8.345188 
1 1 1 -28 14 4  o 348.5368 4.602140 14650.64       386.2993 13840.29       517.2328 15672.81       580.9153 337.7359 6.330042 359.3378 6.682018 -21.60193      9.204281 
1 1 1 -28 14 5  o 56.40654 3.375668 388.3843       45.72795 351.0977       66.59584 421.6476       62.90044 53.81886 5.114584 58.99421 4.406990 -5.175346      6.751335 
1 1 1 -28 14 6  o 293.9745 3.995945 10454.07       283.6985 10046.12       387.3767 10925.98       416.6403 287.8169 5.563075 300.1321 5.737814 -12.31522      7.991890 
1 1 1 -28 14 7  o 214.5245 3.191803 5574.030       165.6104 5465.168       230.8047 5689.559       237.7672 212.3684 4.492133 216.6806 4.535545 -4.312256      6.383606 
1 1 1 -28 14 8  f 71.79801 2.909419 622.2435       50.44344 671.7693       73.92334 579.0876       69.00585 74.46190 4.103412 69.13412 4.125638 5.327774       5.818839 
1 1 1 -28 14 9  o 146.5231 2.696570 2600.746       95.58931 2625.331       135.6723 2576.512       134.7003 147.2110 3.809333 145.8353 3.817714 1.375641       5.393140 
1 1 1 -28 14 10 f 159.1193 2.778307 3067.832       106.9495 3103.701       152.2648 3032.904       150.2540 160.0369 3.932574 158.2016 3.925661 1.835297       5.556613 
1 1 1 -28 14 11 o 139.4018 2.685970 2355.556       90.58386 2342.962       128.5160 2367.990       127.6978 139.0298 3.820734 139.7737 3.776206 -0.7438812     5.371940 
1 1 1 -28 14 12 o 198.0049 3.067522 4758.865       146.9464 4790.083       208.5007 4728.056       207.1332 198.6500 4.338270 197.3597 4.337993 1.290298       6.135045 
1 1 1 -28 14 13 o 86.75462 2.743187 913.5114       57.57053 933.0504       81.96265 894.4841       80.88215 87.67130 3.864170 85.83794 3.894674 1.833359       5.486374 
1 1 1 -28 14 14 o 94.65318 2.643573 1088.011       60.51065 1134.795       86.71600 1043.610       84.47787 96.63847 3.708915 92.66790 3.768004 3.970566       5.287145 
1 1 1 -28 14 15 o 95.64389 2.635992 1113.869       60.90077 1034.761       85.55047 1195.145       86.71472 92.18239 3.835943 99.10539 3.616540 -6.923004      5.271984 
1 1 1 -28 14 16 o 42.65283 3.961914 219.1733       40.30635 254.3079       63.89326 195.9490       51.94693 45.39856 5.817156 39.90710 5.380311 5.491451       7.923828 
1 1 1 -28 14 17 o 42.18369 4.201246 223.4673       41.68222 209.5401       66.02043 232.6984       53.74916 40.93643 6.666012 43.43096 5.115287 -2.494530      8.402493 
1 1 1 -28 14 18 o 44.91663 4.176305 237.4960       41.75690 386.1952       68.79343 150.7491       52.54359 55.78583 5.097072 34.04743 6.617095 21.73840       8.352610 
1 1 1 -28 14 19 o 35.75344 5.142629 174.9643       42.51816 138.1467       67.20456 199.5368       54.90300 31.73377 8.557584 39.77311 5.705637 -8.039339      10.28526 
1 1 1 -28 14 20 o 49.46206 5.483964 311.7789       63.64260 397.2635       107.2512 265.3183       79.06802 54.16780 8.183867 44.75632 7.302039 9.411476       10.96793 
1 1 1 -28 16 1  o 244.5090 3.519661 7240.585       208.0523 7444.126       301.4183 7055.365       287.5333 247.7819 5.028030 241.2362 4.926557 6.545715       7.039321 
1 1 1 -28 16 2  o 251.2302 3.583503 7652.721       217.8097 7668.252       308.8558 7637.354       307.2097 251.4828 5.076275 250.9775 5.059386 0.5052643      7.167005 
1 1 1 -28 16 3  o 105.9277 2.729478 1359.207       69.94437 1357.527       99.55253 1360.844       98.29207 105.8621 3.886954 105.9934 3.832988 -0.1312561     5.458957 
1 1 1 -28 16 4  o 240.0925 3.467157 6988.633       201.3951 6958.517       283.9445 7019.122       285.6948 239.5724 4.898852 240.6125 4.907744 -1.040024      6.934313 
1 1 1 -28 16 5  o 87.20991 2.891278 922.4319       60.90790 862.2691       86.09562 982.7099       86.17799 84.35583 4.218554 90.06398 3.954967 -5.708145      5.782557 
1 1 1 -28 16 6  o 189.1089 3.026411 4333.995       138.4641 4337.292       195.3930 4330.668       196.2455 189.1821 4.269006 189.0358 4.290950 0.1462860      6.052823 
1 1 1 -28 16 7  o 162.7124 4.005846 3208.160       157.6947 3208.160       157.6947 0.000000       0.000000 162.7124 4.005846 ?        ?        ?              ?        
1 1 1 -28 16 8  o 183.4946 2.985260 4080.376       132.5043 4185.560       189.1703 3979.062       185.6578 185.8167 4.207907 181.1725 4.235637 4.644180       5.970519 
1 1 1 -28 16 9  o 160.5537 4.074145 3125.385       158.2556 0.000000       0.000000 3125.385       158.2556 ?        ?        160.5537 4.074145 ?              ?        
1 1 1 -28 16 10 o 147.3340 2.757882 2629.126       98.22667 2778.209       141.6825 2491.154       136.3007 151.3532 3.869212 143.3149 3.931011 8.038223       5.515764 
1 1 1 -28 16 12 o 56.49216 3.491736 391.4031       47.37241 354.2110       68.99678 424.5712       65.15736 53.90760 5.290254 59.07673 4.558739 -5.169132      6.983472 
1 1 1 -28 16 13 o 32.71345 5.607729 136.7744       43.92077 153.3869       64.43594 122.3585       60.02506 34.55453 7.882068 30.87238 7.978690 3.682152       11.21546 
1 1 1 -28 16 14 o 161.0704 2.844208 3146.649       110.5252 3387.718       163.9481 2945.816       149.6421 166.6829 4.065492 155.4579 3.978677 11.22496       5.688417 
1 1 1 -28 16 15 o 51.42315 3.909938 330.9914       47.71978 292.4327       72.15651 360.9652       63.61884 48.60988 6.135481 54.23642 4.848332 -5.626537      7.819876 
1 1 1 -28 16 16 o 68.26347 4.322393 571.8279       71.38632 0.000000       0.000000 571.8279       71.38632 ?        ?        68.26347 4.322393 ?              ?        
1 1 1 -28 16 17 o 45.78147 4.696960 252.1517       47.02832 436.5128       76.22257 138.8332       59.75845 59.24152 5.318083 32.32142 7.743626 26.92009       9.393921 
1 1 1 -28 16 18 o 82.40401 3.025120 836.3853       59.85061 876.1492       91.24157 806.3535       79.29358 84.01801 4.488674 80.79002 4.056748 3.227989       6.050240 
1 1 1 -28 16 19 o 66.42263 3.449064 547.4200       54.60818 602.2610       86.34568 510.8630       70.49747 68.99181 5.172979 63.85344 4.563383 5.138371       6.898129 
1 1 1 -28 16 20 o 21.37785 6.705369 -20.28082      65.32941 92.18323       116.8764 -71.38608      78.78667 26.94196 11.10147 15.81374 7.523640 11.12821       13.41074 
1 1 1 -28 18 1  o 241.5372 3.517778 7078.213       205.5611 7033.404       289.2966 7123.907       292.1389 240.7664 4.966440 242.3080 4.983325 -1.541626      7.035557 
1 1 1 -28 18 2  o 170.1891 2.960123 3510.841       121.8662 3494.043       170.7489 3528.282       173.9864 169.7767 4.156974 170.6015 4.215314 -0.8248138     5.920246 
1 1 1 -28 18 3  o 181.5792 3.008425 3992.274       132.0580 3878.780       182.3838 4117.350       191.4634 178.8735 4.214421 184.2848 4.294314 -5.411316      6.016850 
1 1 1 -28 18 4  o 78.70415 3.128332 751.9332       59.43982 692.4240       83.78302 812.2377       84.34095 75.55865 4.583208 81.84964 4.259115 -6.290993      6.256665 
1 1 1 -28 18 5  f 36.29916 5.675634 167.0193       48.46595 165.6156       70.49796 168.2773       66.73882 36.13073 8.246610 36.46758 7.800302 -0.3368492     11.35127 
1 1 1 -28 18 6  o 115.6091 2.761630 1620.327       77.24297 1623.933       109.3577 1616.737       109.1188 115.7375 3.905467 115.4807 3.905601 0.2567520      5.523260 
1 1 1 -28 18 7  o 131.7294 3.275584 2001.502       99.07954 1798.510       119.8804 2439.024       175.9986 121.7684 4.069220 141.6904 5.134126 -19.92199      6.551168 
1 1 1 -28 18 8  f 170.4484 4.127431 3525.772       170.2060 0.000000       0.000000 3525.772       170.2060 ?        ?        170.4484 4.127431 ?              ?        
1 1 1 -28 18 9  o 62.25757 3.508070 469.8026       52.45863 553.2350       76.60675 396.1350       71.98425 67.46208 4.693589 57.05306 5.215023 10.40902       7.016141 
1 1 1 -28 18 10 f 69.77064 3.226193 590.9308       54.32761 651.4041       78.65449 535.7579       75.12843 73.18719 4.442078 66.35409 4.679876 6.833099       6.452386 
1 1 1 -28 18 11 o 84.44498 3.051200 866.5601       62.25470 898.1119       90.92479 838.7155       85.41606 85.88167 4.376022 83.00828 4.253200 2.873390       6.102400 
1 1 1 -28 18 12 o 102.0748 2.833243 1266.339       69.88725 1339.496       101.7419 1200.982       96.16473 104.8590 4.010440 99.29073 4.003177 5.568237       5.666486 
1 1 1 -28 18 13 o 97.63634 2.892578 1165.245       68.14050 1141.556       99.54105 1186.135       93.47515 96.66469 4.256298 98.60800 3.918156 -1.943314      5.785155 
1 1 1 -28 18 14 o 80.43173 3.040282 791.5545       59.12168 810.4155       85.54036 774.3044       81.80595 81.33739 4.346889 79.52608 4.251802 1.811317       6.080564 
1 1 1 -28 18 15 o 126.5686 3.893775 1962.274       119.2337 0.000000       0.000000 1962.274       119.2337 ?        ?        126.5686 3.893775 ?              ?        
1 1 1 -28 18 16 o 24.26388 6.243044 67.38968       48.43336 33.46582       78.95279 87.85864       61.32856 22.39259 9.163542 26.13518 8.481267 -3.742590      12.48609 
1 1 1 -28 18 17 o 17.31967 5.578350 -30.61008      50.19056 -34.58477      80.99518 -28.13240      63.94845 18.27746 8.323153 16.36189 7.429472 1.915571       11.15670 
1 1 1 -28 18 18 f 70.72386 3.697716 630.7888       62.41542 654.3843       97.17976 614.2212       81.43120 71.59946 5.610012 69.84826 4.818734 1.751198       7.395433 
1 1 1 -28 18 19 o 67.00533 3.908762 587.0799       62.55230 550.7737       94.24026 615.6721       83.63149 64.71422 6.019140 69.29642 4.988348 -4.582207      7.817523 
1 1 1 -28 20 1  o 70.88644 3.346313 610.5502       57.37309 614.7166       82.24272 606.6004       80.07625 71.11871 4.779818 70.65417 4.684504 0.4645386      6.692626 
1 1 1 -28 20 2  o 231.7461 3.436546 6489.997       192.0300 6993.408       286.3209 6078.425       258.8893 239.8498 4.934139 223.6424 4.784733 16.20744       6.873092 
1 1 1 -28 20 3  o 200.3065 3.169276 4850.321       153.2113 5230.773       226.3933 4528.847       208.1068 207.5141 4.509348 193.0990 4.454550 14.41502       6.338552 
1 1 1 -28 20 4  o 104.9327 2.851395 1332.630       72.27989 1245.597       99.32006 1430.622       105.3880 101.2992 4.052552 108.5662 4.012309 -7.266968      5.702789 
1 1 1 -28 20 5  o 145.7757 2.808380 2577.245       98.99092 2699.421       142.3082 2462.705       137.7897 149.1233 3.944410 142.4280 3.998702 6.695267       5.616760 
1 1 1 -28 20 6  o 128.7949 2.791392 2014.104       86.97901 2028.631       123.4085 1999.764       122.6092 129.2565 3.946302 128.3333 3.948948 0.9232635      5.582785 
1 1 1 -28 20 7  o 48.31944 4.320078 283.3167       50.25594 305.2643       75.76732 266.0750       67.15478 49.96571 6.267691 46.67316 5.947129 3.292545       8.640156 
1 1 1 -28 20 8  o 114.3473 2.893462 1589.420       80.00299 1665.551       114.4174 1516.593       111.9070 117.0327 4.040940 111.6620 4.142378 5.370758       5.786925 
1 1 1 -28 20 9  o 117.4992 2.840777 1677.926       80.67525 1786.168       116.4065 1577.884       111.9103 121.1484 3.971527 113.8501 4.062884 7.298279       5.681554 
1 1 1 -28 20 10 o 60.87531 3.786009 453.3419       55.69500 484.8203       80.57030 424.5353       77.07515 62.90419 5.294112 58.84644 5.413671 4.057751       7.572019 
1 1 1 -28 20 11 o 73.96702 3.523294 673.6238       62.73647 604.2959       89.47026 740.6824       87.99371 70.14809 5.271820 77.78595 4.675717 -7.637863      7.046589 
1 1 1 -28 20 12 o 83.24017 4.511099 849.1860       90.84847 849.1860       90.84847 0.000000       0.000000 83.24017 4.511099 ?        ?        ?              ?        
1 1 1 -28 20 13 o 82.07243 3.230485 826.9151       64.09882 855.1315       92.84693 801.2205       88.60092 83.39902 4.601552 80.74585 4.535401 2.653175       6.460970 
1 1 1 -28 20 14 o 38.88601 5.979618 200.9747       54.56681 215.1939       80.15804 188.6949       74.49142 40.16863 8.512642 37.60339 8.399895 2.565243       11.95924 
1 1 1 -28 20 15 o 66.92971 3.828981 554.7948       61.59629 651.4421       91.97003 476.1800       82.94759 72.22370 5.263375 61.63572 5.562487 10.58798       7.657962 
1 1 1 -28 20 16 o 61.54990 4.046591 475.8107       59.90518 553.4738       89.18339 411.9616       80.86375 66.15806 5.571843 56.94175 5.869766 9.216309       8.093182 
1 1 1 -28 20 17 o 64.54581 4.097848 534.0837       63.73790 558.5450       95.20499 514.2147       85.80421 65.75139 5.984839 63.34023 5.599209 2.411163       8.195696 
1 1 1 -28 20 18 o 52.19016 5.232305 378.8318       65.21841 338.2286       95.75159 413.9703       89.07539 48.93195 8.088186 55.44838 6.639977 -6.516422      10.46461 
1 1 1 -28 22 1  o 226.0009 3.417245 6231.136       186.8160 6167.862       261.3175 6297.279       267.1754 224.8392 4.803902 227.1625 4.861356 -2.323303      6.834490 
1 1 1 -28 22 2  o 226.1303 3.399508 6237.881       185.9807 6257.294       264.0302 6218.763       262.0143 226.4751 4.818712 225.7855 4.796525 0.6896210      6.799017 
1 1 1 -28 22 3  o 129.0600 2.851593 2019.976       88.88470 2166.533       130.2184 1892.124       121.6250 133.4277 4.033891 124.6923 4.031633 8.735405       5.703187 
1 1 1 -28 22 4  o 119.9610 2.863351 1751.967       83.08356 1739.335       118.5356 1764.166       116.4870 119.5267 4.099035 120.3953 3.999129 -0.8686600     5.726702 
1 1 1 -28 22 5  o 21.03147 5.898740 28.57248       45.97940 -7.265041      72.20879 53.01253       59.63101 19.31289 8.369405 22.75005 8.314661 -3.437157      11.79748 
1 1 1 -28 22 6  o 20.95024 5.932503 29.12980       45.18613 16.35873       72.43968 37.26394       57.81211 20.94719 8.695036 20.95330 8.073086 -0.6113052E-02 11.86501 
1 1 1 -28 22 7  o 69.85152 3.557149 596.5141       59.31464 603.4794       91.87671 591.5364       77.66902 70.13333 5.414753 69.56972 4.614507 0.5636139      7.114298 
1 1 1 -28 22 8  o 30.59844 7.119777 120.8821       60.27885 53.25402       119.4819 143.9718       69.81481 27.97411 11.33869 33.22278 8.613882 -5.248676      14.23955 
1 1 1 -28 22 9  o 57.40738 4.149610 403.6633       57.31705 467.9211       85.09576 350.3012       77.54633 61.58609 5.711143 53.22867 6.021619 8.357414       8.299220 
1 1 1 -28 22 10 o 44.08053 5.365659 250.0420       54.21048 350.6910       79.35681 161.9774       74.23011 53.14877 6.171471 35.01228 8.779188 18.13649       10.73132 
1 1 1 -28 22 11 o 27.25689 6.141321 82.22990       53.41661 -7.071351      78.27827 160.0535       73.07486 19.82830 8.652178 34.68549 8.717976 -14.85719      12.28264 
1 1 1 -28 22 12 f 102.0027 3.084183 1272.261       75.76324 1455.589       112.0476 1117.841       102.8350 108.7675 4.257954 95.23787 4.463024 13.52965       6.168367 
1 1 1 -28 22 13 o 83.95813 3.477722 881.3599       70.08786 820.9775       103.4584 932.5773       95.28386 81.11768 5.271667 86.79858 4.537372 -5.680901      6.955445 
1 1 1 -28 22 14 o 62.87725 4.207562 500.7515       63.93864 533.8253       91.99075 469.8402       88.93257 64.92907 5.856022 60.82544 6.043289 4.103634       8.415125 
1 1 1 -28 22 15 o 21.52862 6.409557 25.36103       57.64507 -0.5703585     84.12556 48.31394       79.14690 20.16020 8.878467 22.89704 9.246758 -2.736841      12.81911 
1 1 1 -28 22 16 o 46.26108 5.739989 297.4566       62.51735 256.1815       85.66457 344.4888       91.44390 42.16638 8.686268 50.35577 7.505907 -8.189396      11.47998 
1 1 1 -28 22 17 o 25.77339 7.167138 93.72671       67.63273 130.3408       92.35789 51.38889       99.31482 28.44459 10.35505 23.10219 9.911826 5.342392       14.33428 
1 1 1 -28 24 1  o 83.40942 3.288555 854.5316       66.16521 827.6097       96.43266 878.4800       90.95121 82.11641 4.853911 84.70243 4.438235 -2.586021      6.577111 
1 1 1 -28 24 2  o 73.83238 3.524118 665.9012       62.75964 740.9384       92.37470 601.5709       85.53092 77.69032 4.914551 69.97446 5.052209 7.715858       7.048236 
1 1 1 -28 24 3  f 105.9551 3.003346 1373.382       76.96644 1361.436       109.8984 1384.881       107.8252 105.4866 4.306176 106.4236 4.187744 -0.9370270     6.006692 
1 1 1 -28 24 4  o 75.51311 3.461937 704.8752       62.36704 669.2855       95.10180 731.7305       82.61179 73.72501 5.331772 77.30120 4.417265 -3.576195      6.923873 
1 1 1 -28 24 5  o 61.20919 4.068921 473.2253       58.81659 375.0460       85.94030 559.7283       80.66824 54.93345 6.466327 67.48492 4.940758 -12.55147      8.137842 
1 1 1 -28 24 6  o 60.40271 4.011999 435.0099       57.43157 580.7040       90.80433 337.8699       74.14545 68.57637 5.473054 52.22906 5.867728 16.34731       8.023998 
1 1 1 -28 24 7  o 93.16763 3.231405 1060.095       72.58252 1142.959       108.3437 992.6230       97.76404 96.42757 4.644083 89.90768 4.494486 6.519890       6.462810 
1 1 1 -28 24 8  o 67.93268 3.867014 574.4675       63.21368 540.6140       92.50759 604.1226       86.58163 65.94575 5.798134 69.91960 5.118286 -3.973854      7.734029 
1 1 1 -28 24 9  o 74.44200 3.592802 685.8546       64.62426 695.0689       94.05505 677.6145       88.94398 74.87711 5.191953 74.00690 4.967548 0.8702164      7.185605 
1 1 1 -28 24 10 o 68.93336 3.949521 587.6335       65.48344 682.4908       97.89857 510.8299       88.09106 73.96139 5.471029 63.90534 5.697605 10.05605       7.899042 
1 1 1 -28 24 11 o 73.44669 3.796271 671.7342       67.28249 732.7670       99.36626 620.0592       91.43179 76.51190 5.367940 70.38146 5.369534 6.130440       7.592541 
1 1 1 -28 24 12 o 19.26093 6.048550 -19.95940      56.71234 19.38767       85.27500 -51.16405      75.94080 21.71735 9.247438 16.80450 7.799018 4.912851       12.09710 
1 1 1 -28 24 13 o 35.91760 6.844497 190.4938       62.64034 137.8763       92.37573 235.2845       85.22887 30.97371 10.42199 40.86150 8.875282 -9.887791      13.68899 
1 1 1 -28 24 14 o 98.17265 3.350676 1220.600       79.57580 1241.358       113.4693 1200.510       111.6276 98.99469 4.737665 97.35062 4.739479 1.644073       6.701353 
1 1 1 -28 24 15 o 52.02574 6.012475 386.0484       72.75546 303.5328       96.97288 492.3122       110.0461 44.76389 9.259579 59.28759 7.672002 -14.52370      12.02495 
1 1 1 -28 26 1  o 79.28129 3.617664 780.6787       69.07685 768.9279       102.1907 790.5653       93.73495 78.63037 5.371787 79.93221 4.847049 -1.301834      7.235328 
1 1 1 -28 26 2  f 60.98175 4.082901 467.5053       58.77048 448.3249       92.77861 480.3594       75.95198 59.70482 6.422973 62.25867 5.042396 -2.553848      8.165803 
1 1 1 -28 26 3  o 19.31492 6.004826 -9.464705      53.84222 -19.41798      82.84696 -2.186760      70.84315 19.55274 8.700420 19.07711 8.278552 0.4756355      12.00965 
1 1 1 -28 26 4  o 58.79481 4.392323 434.0738       62.14837 434.8034       92.72910 433.4787       83.73899 58.72725 6.526406 58.86237 5.880140 -0.1351128     8.784647 
1 1 1 -28 26 5  o 21.41438 6.367548 15.77851       54.72972 39.36933       88.39743 1.114455       69.69396 23.72338 9.700764 19.10539 8.250929 4.617990       12.73510 
1 1 1 -28 26 6  o 18.72680 6.157477 -47.62737      59.04398 -74.28912      117.8999 -38.70226      68.21442 20.93316 9.716016 16.52043 7.566844 4.412731       12.31495 
1 1 1 -28 26 7  o 81.30518 3.608234 820.8273       70.81436 873.6030       104.5600 776.1081       96.24873 83.68040 5.164634 78.92996 5.040235 4.750435       7.216468 
1 1 1 -28 26 8  o 48.03861 5.387964 300.1669       60.77252 356.6088       90.47451 253.7641       82.03465 52.61629 7.107285 43.46094 8.099822 9.155350       10.77593 
1 1 1 -28 26 9  o 41.20759 6.262223 233.9018       60.34891 247.7479       90.09239 222.6321       81.27895 42.20305 9.091888 40.21212 8.613903 1.990929       12.52445 
1 1 1 -28 26 10 o 44.93923 5.993668 276.7642       63.61042 312.5485       90.42976 241.7159       89.49496 48.54753 7.699135 41.33093 9.188009 7.216595       11.98734 
1 1 1 -28 26 11 o 59.37067 4.774836 462.8322       68.13005 532.0703       98.20639 398.5915       94.59589 63.92204 6.350192 54.81931 7.132412 9.102734       9.549672 
1 1 1 -28 26 12 o 41.90580 6.737854 257.4779       69.80213 362.6300       103.8869 170.9366       94.24606 50.78190 8.455698 33.02970 10.49266 17.75220       13.47571 
1 1 1 -28 26 13 o 31.16706 7.481115 159.1134       67.76490 132.7203       93.39294 188.4583       98.47715 28.80426 10.42406 33.52985 10.73347 -4.725582      14.96223 
1 1 1 -28 28 7  o 32.20944 13.15217 147.0553       162.2000 0.000000       0.000000 147.0553       162.2000 ?        ?        32.20944 13.15217 ?              ?        
1 1 1 -28 28 8  o 24.58546 7.963697 -20.86373      102.7706 -70.14872      129.4066 63.30756       169.1146 21.01297 9.890162 28.15796 12.48466 -7.144999      15.92739 
1 1 1 -28 28 9  f 49.80422 9.390358 478.3910       123.7895 577.6324       158.5384 323.3789       198.1393 60.21181 11.29803 39.39663 15.00233 20.81518       18.78072 
1 1 1 -28 28 10 o 43.50671 9.801717 360.3148       116.1436 265.0803       148.4636 510.5294       186.4571 36.82128 13.16511 50.19213 14.52496 -13.37085      19.60343 
1 1 1 -28 28 11 o 33.01969 9.388266 229.6354       112.2610 191.1957       143.0533 291.2552       181.1208 31.02109 12.46517 35.01830 14.04199 -3.997213      18.77653 
1 1 1 -27 1  1  o 491.4346 6.187112 29242.45       735.5574 29481.02       1048.786 29011.50       1031.891 493.4049 8.785794 489.4644 8.713854 3.940552       12.37422 
1 1 1 -27 1  2  o 233.7303 3.284383 6606.402       185.6528 6750.880       267.1580 6471.474       258.1775 236.1996 4.675055 231.2609 4.614385 4.938675       6.568766 
1 1 1 -27 1  3  f 405.4890 5.189795 19896.32       508.9696 20213.68       731.0687 19597.81       709.0209 408.6233 7.394908 402.3546 7.283628 6.268646       10.37959 
1 1 1 -27 1  4  o 419.6349 7.578025 21319.11       769.3607 0.000000       0.000000 21319.11       769.3607 ?        ?        419.6349 7.578025 ?              ?        
1 1 1 -27 1  5  o 798.2666 11.58115 75009.61       1848.210 73237.78       2079.316 81677.58       4033.729 777.3784 11.05569 819.1547 20.35347 -41.77631      23.16230 
1 1 1 -27 1  6  f 402.8742 6.006377 19270.14       493.7179 18947.41       560.8854 20380.73       1040.468 395.6550 5.859428 410.0934 10.48682 -14.43842      12.01275 
1 1 1 -27 1  7  o 427.3185 6.299435 21996.29       559.5109 21877.59       642.7460 22367.64       1136.831 425.1132 6.249316 429.5238 10.93972 -4.410583      12.59887 
1 1 1 -27 1  8  o 388.8837 5.815009 18025.53       463.1063 17768.29       527.2828 18893.52       968.5750 383.0926 5.689021 394.6747 10.14359 -11.58209      11.63002 
1 1 1 -27 1  9  o 367.2443 5.443535 16623.76       429.4456 16958.91       505.3403 15752.53       814.7615 374.2083 5.581721 360.2802 9.347335 13.92813       10.88707 
1 1 1 -27 1  10 o 632.4734 7.889610 48681.09       1207.243 48536.47       1702.238 48827.45       1712.407 631.5339 11.14093 633.4128 11.17423 -1.878906      15.77922 
1 1 1 -27 1  11 o 116.6065 2.253596 1643.525       63.53297 1719.345       91.81691 1573.873       88.00279 119.1832 3.184236 114.0297 3.189893 5.153519       4.507192 
1 1 1 -27 1  12 f 76.41510 2.114413 706.3496       39.06564 671.6218       54.55293 742.9031       55.96857 74.48791 3.027122 78.34229 2.952879 -3.854385      4.228826 
1 1 1 -27 1  13 o 47.21737 2.417619 270.0257       27.60909 266.3330       39.37712 273.5965       38.72142 46.89907 3.470383 47.53566 3.366894 -0.6365852     4.835238 
1 1 1 -27 1  14 o 449.4683 5.737782 24584.31       623.8137 24292.25       871.5541 24891.11       893.2577 446.7492 8.063586 452.1873 8.164997 -5.438110      11.47556 
1 1 1 -27 1  15 o 204.4628 2.995446 5064.872       148.1297 5170.643       212.7714 4965.390       206.3501 206.5310 4.258197 202.3946 4.214088 4.136383       5.990892 
1 1 1 -27 3  1  o 763.9531 10.76231 72246.12       1783.812 74127.47       2115.302 67614.52       3318.966 782.0998 11.17913 745.8065 18.39392 36.29333       21.52462 
1 1 1 -27 3  2  o 897.5114 12.73169 98526.41       2421.060 99218.61       2817.641 96573.46       4732.745 904.5826 12.87464 890.4402 21.96879 14.14240       25.46338 
1 1 1 -27 3  3  o 260.1111 4.096767 8322.293       227.8403 8480.616       267.2660 7901.249       435.8485 264.7422 4.172709 255.4799 7.051420 9.262375       8.193535 
1 1 1 -27 3  4  o 474.8275 6.852674 27792.98       701.2519 28397.85       827.0828 26246.28       1322.575 484.3347 7.058316 465.3202 11.74805 19.01447       13.70535 
1 1 1 -27 3  5  o 563.2728 8.062980 38974.96       971.9799 39586.09       1139.892 37346.82       1860.571 571.7465 8.240582 554.7992 13.86143 16.94727       16.12596 
1 1 1 -27 3  6  o 423.5106 6.227313 21792.42       555.3315 21860.26       643.4185 21594.29       1099.577 424.9518 6.258232 422.0694 10.76811 2.882355       12.45463 
1 1 1 -27 3  7  o 96.67748 2.520012 1043.320       49.93363 974.3369       56.26271 1299.227       108.3649 89.74035 2.591377 103.6146 4.322800 -13.87427      5.040023 
1 1 1 -27 3  8  f 234.6879 3.813594 6649.708       186.7236 6631.506       215.0198 6705.533       376.5647 234.0872 3.796631 235.2885 6.615104 -1.201248      7.627188 
1 1 1 -27 3  9  o 152.9998 2.923631 2882.707       94.48798 2936.283       110.0948 2732.897       184.0991 155.7715 2.921302 150.2280 5.065221 5.543518       5.847262 
1 1 1 -27 3  10 o 168.1904 3.077152 3474.992       109.3260 3529.019       127.2844 3323.022       213.4754 170.7598 3.080968 165.6211 5.327578 5.138641       6.154304 
1 1 1 -27 3  11 o 204.4260 3.471168 5075.494       148.4560 5088.164       171.4188 5037.478       296.9299 205.0143 3.455987 203.8377 6.020978 1.176605       6.942336 
1 1 1 -27 3  12 o 40.50709 3.373205 204.4388       26.88721 208.6898       30.40113 189.1731       57.61111 41.52119 3.026340 39.49298 6.029538 2.028206       6.746411 
1 1 1 -27 3  13 o 187.1442 2.829559 4238.717       128.0482 4352.950       184.7551 4133.125       177.6301 189.5669 4.028392 184.7216 3.974628 4.845306       5.659117 
1 1 1 -27 3  14 o 154.8603 2.547712 2894.344       95.26691 3074.096       140.1755 2740.053       129.8695 159.3108 3.636844 150.4098 3.568853 8.900970       5.095425 
1 1 1 -27 3  15 o 42.64071 2.568159 220.4597       26.47213 215.0239       37.91168 225.6316       36.98018 42.12575 3.719830 43.15566 3.541840 -1.029911      5.136318 
1 1 1 -27 3  16 o 113.0742 3.107558 1549.244       85.01297 1549.244       85.01297 0.000000       0.000000 113.0742 3.107558 ?        ?        ?              ?        
1 1 1 -27 5  1  o 362.2745 5.755056 15973.22       479.2252 16154.39       593.4218 15633.55       812.5464 365.3034 6.714403 359.2456 9.348769 6.057861       11.51011 
1 1 1 -27 5  2  o 134.6720 3.040668 2236.452       93.67331 2331.435       116.3986 2061.868       157.8065 138.8144 3.465859 130.5297 4.997046 8.284760       6.081336 
1 1 1 -27 5  3  o 375.5018 5.902969 17244.24       513.4354 16478.29       850.6159 17683.25       643.9805 368.8145 9.532861 382.1892 6.964533 -13.37469      11.80594 
1 1 1 -27 5  4  o 237.1517 3.330979 6800.704       191.0273 6642.610       265.2111 6971.157       275.3826 234.2903 4.678807 240.0132 4.742408 -5.722961      6.661957 
1 1 1 -27 5  5  o 232.4695 3.284642 6539.816       184.7354 6517.273       260.4252 6562.649       262.0935 232.0663 4.638404 232.8725 4.651957 -0.8061981     6.569284 
1 1 1 -27 5  6  o 557.9839 6.979238 37709.40       941.5872 38527.95       1360.854 36957.63       1304.165 563.7762 9.977055 552.1917 9.762039 11.58459       13.95848 
1 1 1 -27 5  7  o 561.1404 7.016970 38192.30       952.6279 38173.70       1346.536 38210.93       1347.904 561.0040 9.920867 561.2767 9.926122 -0.2727661     14.03394 
1 1 1 -27 5  8  o 400.7211 5.141120 19442.95       498.0619 19945.15       721.3101 18985.31       688.5621 405.6534 7.349616 395.7888 7.190801 9.864502       10.28224 
1 1 1 -27 5  9  o 209.4176 3.043927 5308.685       154.2023 5372.342       220.2982 5247.534       215.9178 210.6474 4.322674 208.1877 4.286777 2.459747       6.087855 
1 1 1 -27 5  10 o 263.6951 3.613448 8423.920       230.5284 8412.306       325.4630 8435.613       326.5725 263.5130 5.105017 263.8771 5.115353 -0.3640442     7.226897 
1 1 1 -27 5  11 o 414.0716 6.119641 20999.41       535.9144 21167.20       623.2709 20523.50       1049.659 417.7765 6.166385 410.3667 10.57240 7.409729       12.23928 
1 1 1 -27 5  12 o 159.7972 3.055408 3121.683       101.8141 3149.760       117.5695 3037.478       203.6037 161.3062 3.012600 158.2883 5.316607 3.017914       6.110816 
1 1 1 -27 5  13 o 342.0132 5.136863 14498.06       378.3564 14855.76       446.5054 13587.15       712.5367 350.0144 5.272766 334.0120 8.817447 16.00238       10.27373 
1 1 1 -27 5  14 o 88.53280 2.622148 905.7666       47.49052 870.2483       53.74681 1032.243       101.4217 84.78777 2.620096 92.27783 4.542878 -7.490067      5.244296 
1 1 1 -27 5  15 o 119.0505 2.720046 1708.391       66.73582 1699.884       76.36984 1735.872       137.2614 118.4871 2.664088 119.6139 4.743124 -1.126831      5.440091 
1 1 1 -27 5  16 o 154.6220 3.594589 2899.244       134.4692 2899.244       134.4692 0.000000       0.000000 154.6220 3.594589 ?        ?        ?              ?        
1 1 1 -27 5  17 o 54.14001 3.181551 355.5821       41.67346 355.5821       41.67346 0.000000       0.000000 54.14001 3.181551 ?        ?        ?              ?        
1 1 1 -27 5  18 f 6.676032 3.224461 -25.14960      15.73852 -25.14960      15.73852 0.000000       0.000000 6.676032 3.224461 ?        ?        ?              ?        
1 1 1 -27 7  1  o 331.9305 4.374838 13335.69       351.2799 13476.86       501.7828 13200.02       491.9332 333.6517 6.216130 330.2094 6.157642 3.442383       8.749676 
1 1 1 -27 7  2  o 447.5626 5.692809 24232.40       615.8530 24903.37       894.5717 23627.90       849.1014 453.4377 8.154460 441.6875 7.945883 11.75021       11.38562 
1 1 1 -27 7  3  o 498.7019 6.281756 30131.50       757.9208 30133.26       1072.775 30129.75       1070.951 498.7159 8.891052 498.6880 8.876432 0.2789307E-01  12.56351 
1 1 1 -27 7  4  o 430.1535 5.494658 22161.87       567.0122 20610.51       745.6888 24288.36       873.0381 412.5267 7.471422 447.7803 8.058717 -35.25363      10.98932 
1 1 1 -27 7  5  o 209.9120 3.782887 5387.039       182.8897 5157.645       306.9724 5513.272       227.7174 206.3895 6.147656 213.4345 4.409905 -7.044998      7.565774 
1 1 1 -27 7  6  o 321.6927 5.222986 12493.32       381.0767 12408.22       463.4201 12671.03       669.6901 320.0983 5.983966 323.2872 8.562155 -3.188843      10.44597 
1 1 1 -27 7  7  o 219.7794 3.855438 5892.398       195.1447 5708.507       328.6264 5992.562       242.5368 217.0722 6.257428 222.4865 4.505797 -5.414261      7.710876 
1 1 1 -27 7  8  o 360.3076 5.688524 15968.70       478.4420 16642.79       609.2308 14884.00       772.8170 370.5201 6.796227 350.0951 9.124063 20.42496       11.37705 
1 1 1 -27 7  9  o 327.5336 6.112947 13003.90       484.4053 13003.90       484.4053 0.000000       0.000000 327.5336 6.112947 ?        ?        ?              ?        
1 1 1 -27 7  10 o 370.7115 4.819278 16673.83       432.2314 16658.80       609.8329 16688.99       612.7122 370.5458 6.802470 370.8772 6.828481 -0.3313599     9.638556 
1 1 1 -27 7  11 o 176.6493 2.770599 3776.044       118.3419 3693.980       164.0187 3865.156       170.9157 174.6508 3.881686 178.6478 3.954412 -3.997025      5.541197 
1 1 1 -27 7  12 o 317.8335 4.217556 12255.42       324.2986 12334.68       461.1792 12177.88       456.1178 318.8479 5.978384 316.8192 5.950634 2.028748       8.435113 
1 1 1 -27 7  13 o 321.8405 4.266743 12571.40       332.1853 12710.87       474.5562 12437.41       465.1470 323.5853 6.061730 320.0958 6.006313 3.489502       8.533485 
1 1 1 -27 7  14 o 240.8593 3.394462 7030.315       197.6924 7207.487       285.5101 6867.137       274.0034 243.7665 4.841111 237.9520 4.759531 5.814514       6.788924 
1 1 1 -27 7  15 o 140.2686 2.493617 2384.490       84.61475 2398.536       120.6874 2370.911       118.6649 140.6733 3.546076 139.8638 3.506827 0.8094177      4.987233 
1 1 1 -27 7  16 o 19.82782 4.569592 49.69882       23.97407 59.94370       26.45553 2.644854       56.69717 21.76406 5.111398 17.89159 7.576166 3.872471       9.139184 
1 1 1 -27 7  17 o 101.5197 2.757597 1250.459       63.99591 1245.067       78.48926 1261.154       110.5333 101.2777 3.203274 101.7617 4.489588 -0.4839783     5.515194 
1 1 1 -27 7  18 o 174.4310 3.853759 3707.537       162.6337 3707.537       162.6337 0.000000       0.000000 174.4310 3.853759 ?        ?        ?              ?        
1 1 1 -27 7  19 o 80.88267 2.964541 796.0220       58.01166 796.0220       58.01166 0.000000       0.000000 80.88267 2.964541 ?        ?        ?              ?        
1 1 1 -27 9  1  o 448.9269 5.715043 24430.66       620.7192 24485.25       879.5650 24376.50       876.1042 449.4258 8.089239 448.4281 8.075336 0.9976196      11.43009 
1 1 1 -27 9  2  o 402.3810 5.178377 19615.20       504.0429 19819.73       720.4114 19419.05       705.4720 404.4319 7.362629 400.3302 7.283820 4.101685       10.35675 
1 1 1 -27 9  3  o 199.2508 3.017445 4780.208       145.0217 5133.145       215.5605 4488.376       196.0135 205.9329 4.326544 192.5687 4.207246 13.36420       6.034891 
1 1 1 -27 9  4  o 172.0724 2.781569 3580.157       115.7358 3690.839       167.0694 3478.035       160.4797 174.6264 3.954436 169.5184 3.912919 5.108032       5.563137 
1 1 1 -27 9  5  o 285.2327 3.871649 9852.809       267.1728 9797.938       376.7485 9908.320       378.9398 284.4339 5.474794 286.0316 5.475881 -1.597687      7.743297 
1 1 1 -27 9  6  f 313.5605 4.176747 11831.78       315.3110 12701.12       475.2374 11148.15       421.4301 323.7671 6.067022 303.3541 5.742135 20.41299       8.353495 
1 1 1 -27 9  7  o 312.4189 4.154536 11806.92       313.6346 12229.37       457.6032 11432.66       430.7101 317.6728 5.953971 307.1651 5.795767 10.50775       8.309072 
1 1 1 -27 9  8  o 284.0272 7.699972 9791.791       529.1166 9791.791       529.1166 0.000000       0.000000 284.0272 7.699972 ?        ?        ?              ?        
1 1 1 -27 9  9  o 312.4421 5.097378 11881.84       364.5690 11746.58       624.9019 11951.63       448.8752 310.9174 8.307387 313.9668 5.909347 -3.049438      10.19476 
1 1 1 -27 9  10 o 82.21300 2.369458 818.1707       47.12544 832.2536       67.09494 804.4589       66.20485 82.91125 3.344830 81.51476 3.356999 1.396492       4.738917 
1 1 1 -27 9  11 o 407.1226 5.242513 20140.27       516.3702 20195.76       732.5184 20085.47       728.0179 407.6768 7.426775 406.5684 7.401268 1.108398       10.48503 
1 1 1 -27 9  12 o 292.3156 3.953875 10356.91       279.4461 10106.14       386.8350 10630.59       404.1248 288.6264 5.539714 296.0048 5.643056 -7.378357      7.907751 
1 1 1 -27 9  13 o 62.90209 3.196151 473.0840       47.35710 507.9120       77.43375 452.2733       59.85622 64.71250 4.945837 61.09169 4.049719 3.620815       6.392303 
1 1 1 -27 9  14 o 41.65571 3.307995 210.5949       33.32066 202.3574       47.05033 218.8831       47.19507 40.83602 4.762302 42.47541 4.592580 -1.639389      6.615990 
1 1 1 -27 9  15 o 125.9388 2.437855 1919.464       74.19634 2048.515       107.3998 1801.639       102.6221 129.9833 3.415179 121.8942 3.479811 8.089111       4.875709 
1 1 1 -27 9  16 o 65.38098 3.491933 518.8676       55.23567 0.000000       0.000000 518.8676       55.23567 ?        ?        65.38098 3.491933 ?              ?        
1 1 1 -27 9  17 o 156.1740 3.677229 2967.139       138.9414 0.000000       0.000000 2967.139       138.9414 ?        ?        156.1740 3.677229 ?              ?        
1 1 1 -27 9  18 o 38.02682 3.127131 177.9943       28.58023 158.4228       41.06213 196.3851       39.80430 35.95705 4.720143 40.09660 4.103176 -4.139549      6.254262 
1 1 1 -27 9  19 o 93.47129 2.622404 1073.549       57.52040 1091.390       73.30859 1044.973       92.78090 94.61146 3.202645 92.33112 4.153442 2.280334       5.244809 
1 1 1 -27 9  20 o 33.49324 4.736895 138.8998       38.38427 138.8998       38.38427 0.000000       0.000000 33.49324 4.736895 ?        ?        ?              ?        
1 1 1 -27 11 1  o 69.51672 2.845333 585.4557       47.81159 573.5635       68.66077 596.6506       66.61713 68.82954 4.123173 70.20390 3.922133 -1.374367      5.690666 
1 1 1 -27 11 2  o 354.2302 4.656567 15201.00       398.8960 15515.94       574.6566 14908.13       554.1503 357.7629 6.639124 350.6975 6.531194 7.065430       9.313134 
1 1 1 -27 11 3  o 131.0172 2.568290 2077.976       81.39573 2087.402       114.2137 2068.249       116.0296 131.3200 3.594885 130.7145 3.668959 0.6055450      5.136581 
1 1 1 -27 11 4  o 592.4779 7.429822 42695.86       1064.931 42963.81       1516.917 42435.46       1495.393 594.2973 10.55008 590.6584 10.46446 3.638855       14.85964 
1 1 1 -27 11 5  f 81.87084 2.594920 811.6190       51.35984 805.9248       73.95393 816.9240       71.38189 81.59215 3.746369 82.14954 3.591539 -0.5573883     5.189839 
1 1 1 -27 11 6  o 189.5290 2.932946 4344.471       134.3896 4483.357       194.6561 4217.979       185.7666 192.4183 4.181376 186.6397 4.113973 5.778641       5.865891 
1 1 1 -27 11 7  o 303.6535 4.074198 11174.87       299.2576 11304.11       428.1158 11051.38       418.4771 305.3663 5.794791 301.9407 5.728590 3.425598       8.148396 
1 1 1 -27 11 8  o 148.9766 3.704130 2687.348       133.5078 0.000000       0.000000 2687.348       133.5078 ?        ?        148.9766 3.704130 ?              ?        
1 1 1 -27 11 9  o 344.9817 4.527608 14441.74       377.8898 14469.75       535.3890 14413.92       533.4500 345.3141 6.408447 344.6492 6.397557 0.6649475      9.055216 
1 1 1 -27 11 10 o 42.94965 3.486762 223.4810       36.20957 226.9011       52.27438 220.3263       50.20446 43.26424 4.994102 42.63505 4.867133 0.6291962      6.973524 
1 1 1 -27 11 11 o 106.6229 3.512340 1376.825       90.60442 0.000000       0.000000 1376.825       90.60442 ?        ?        106.6229 3.512340 ?              ?        
1 1 1 -27 11 12 o 194.0117 2.985685 4558.795       140.0892 4679.035       201.5822 4446.484       194.8227 196.4825 4.240586 191.5408 4.204129 4.941696       5.971371 
1 1 1 -27 11 13 o 201.8515 3.706928 4907.057       170.2040 4831.677       207.1575 5063.653       298.5819 199.6077 4.289642 204.0953 6.046836 -4.487595      7.413856 
1 1 1 -27 11 14 o 189.9613 2.950755 4378.751       135.5885 4349.174       189.7009 4409.643       193.8691 189.3101 4.141838 190.6125 4.203926 -1.302338      5.901510 
1 1 1 -27 11 15 o 98.43047 3.442726 1175.556       81.98499 0.000000       0.000000 1175.556       81.98499 ?        ?        98.43047 3.442726 ?              ?        
1 1 1 -27 11 16 o 73.68374 2.586383 659.1126       46.06589 682.5375       66.89870 637.9901       63.52608 74.92361 3.690598 72.44387 3.624500 2.479736       5.172766 
1 1 1 -27 11 17 o 44.62060 3.324368 243.1856       35.73824 275.2486       51.74467 213.9405       49.41856 47.44831 4.507570 41.79288 4.887486 5.655437       6.648737 
1 1 1 -27 11 18 o 32.76070 5.537346 129.7536       41.68832 103.9679       50.94193 182.0345       72.53668 28.27088 7.371746 37.25051 8.264754 -8.979637      11.07469 
1 1 1 -27 11 19 o 31.76360 4.160679 128.7099       31.15055 118.0002       45.20673 138.3925       42.98432 30.13876 6.397623 33.38844 5.321225 -3.249680      8.321359 
1 1 1 -27 11 20 o 22.68862 4.431854 68.85221       25.65316 49.52303       39.51235 82.93664       33.72840 20.15942 6.815974 25.21783 5.666377 -5.058413      8.863708 
1 1 1 -27 13 1  o 314.2364 4.211031 11965.27       320.0083 11745.60       444.7373 12201.10       460.8107 311.2534 5.905914 317.2193 6.004275 -5.965942      8.422063 
1 1 1 -27 13 2  o 202.9307 3.103154 4970.100       152.0398 4720.309       207.0419 5262.460       223.9903 197.4192 4.334775 208.4422 4.441618 -11.02299      6.206307 
1 1 1 -27 13 3  o 584.7849 7.351307 41423.40       1035.407 39360.43       1387.560 44015.41       1555.333 568.5654 10.08716 601.0043 10.69654 -32.43890      14.70261 
1 1 1 -27 13 4  o 106.4167 2.570658 1367.704       66.10233 1452.685       96.26328 1291.878       90.93017 109.5370 3.632432 103.2964 3.638484 6.240578       5.141315 
1 1 1 -27 13 5  o 326.3470 4.337218 12913.94       342.3963 12759.71       479.2253 13074.78       489.3773 324.3607 6.106736 328.3334 6.160649 -3.972748      8.674436 
1 1 1 -27 13 6  o 277.1054 3.808120 9293.721       255.0459 8995.849       351.1658 9626.250       371.0324 272.4199 5.328083 281.7910 5.442300 -9.371033      7.616239 
1 1 1 -27 13 7  o 62.37902 4.471895 471.4294       67.48891 471.4294       67.48891 0.000000       0.000000 62.37902 4.471895 ?        ?        ?              ?        
1 1 1 -27 13 8  o 131.5121 2.593513 2093.340       82.48206 2006.671       115.2813 2184.243       118.0630 128.7233 3.701683 134.3008 3.633563 -5.577469      5.187026 
1 1 1 -27 13 9  o 155.0112 2.701700 2907.238       101.2628 3039.526       145.8621 2784.162       140.6922 158.4121 3.805849 151.6102 3.835654 6.801941       5.403400 
1 1 1 -27 13 10 o 236.2223 3.395556 6765.470       194.0591 6763.374       274.4353 6767.566       274.4468 236.1856 4.802687 236.2589 4.801396 -0.7334900E-01 6.791112 
1 1 1 -27 13 11 o 165.1365 2.804570 3302.800       112.0052 3240.327       155.7410 3369.727       161.1985 163.5222 3.936624 166.7509 3.995678 -3.228683      5.609140 
1 1 1 -27 13 12 o 66.58878 2.945734 537.7451       47.44193 554.8414       67.26236 520.8199       66.92494 67.64426 4.109972 65.53330 4.221081 2.110954       5.891468 
1 1 1 -27 13 13 o 121.5336 2.598947 1791.313       76.41513 1813.161       108.2998 1769.652       107.8364 122.2728 3.660963 120.7944 3.689913 1.478394       5.197894 
1 1 1 -27 13 14 o 113.4979 2.549234 1562.492       69.96104 1638.219       100.1849 1490.415       97.74013 116.1846 3.564111 110.8112 3.645750 5.373390       5.098469 
1 1 1 -27 13 15 o 23.83818 5.385242 66.62769       35.29226 87.44275       53.07469 50.12875       47.25269 26.37319 7.783329 21.30317 7.444671 5.070028       10.77048 
1 1 1 -27 13 16 o 56.48499 3.166307 390.7435       43.06854 379.6059       63.52912 400.2155       58.58685 55.70797 4.713605 57.26199 4.228939 -1.554020      6.332613 
1 1 1 -27 13 17 o 62.99370 3.025694 476.4502       45.62485 583.2473       69.90754 397.2071       60.21785 69.04105 4.185182 56.94635 4.370760 12.09471       6.051388 
1 1 1 -27 13 18 o 99.83387 3.495705 1218.351       84.43353 0.000000       0.000000 1218.351       84.43353 ?        ?        99.83387 3.495705 ?              ?        
1 1 1 -27 13 19 o 67.54315 2.822162 556.8894       45.68179 597.8287       70.49767 527.2569       59.97751 69.60284 4.186446 65.48347 3.785772 4.119377       5.644324 
1 1 1 -27 13 20 o 23.72939 4.904838 75.93700       32.16399 36.65445       49.05724 105.5550       42.59725 19.29789 7.436319 28.16089 6.397725 -8.863001      9.809675 
1 1 1 -27 15 1  o 332.4067 4.430154 13402.42       356.1704 13185.46       496.2888 13632.84       511.4556 329.6409 6.222874 335.1724 6.307210 -5.531494      8.860308 
1 1 1 -27 15 2  o 87.91899 4.046404 936.2691       86.07048 936.2691       86.07048 0.000000       0.000000 87.91899 4.046404 ?        ?        ?              ?        
1 1 1 -27 15 3  o 16.50036 5.047309 -15.45688      38.91206 -57.51876      58.89498 17.12888       51.83796 14.52595 6.783710 18.47478 7.475466 -3.948827      10.09462 
1 1 1 -27 15 4  o 254.1842 3.595741 7826.457       221.0173 8006.112       318.7094 7660.016       306.7640 256.9880 5.126014 251.3805 5.043947 5.607544       7.191483 
1 1 1 -27 15 5  o 469.8598 8.471463 26866.03       963.0062 0.000000       0.000000 26866.03       963.0062 ?        ?        469.8598 8.471463 ?              ?        
1 1 1 -27 15 6  o 286.8307 3.927621 9978.497       272.5506 9916.359       383.8212 10041.70       387.0890 285.9309 5.548371 287.7306 5.560611 -1.799683      7.855241 
1 1 1 -27 15 7  o 33.78865 5.176726 139.0699       42.21000 191.2491       63.11723 96.85252       56.77337 39.68175 6.574381 27.89556 7.998218 11.78619       10.35345 
1 1 1 -27 15 8  o 233.9575 3.392632 6636.335       192.0314 6667.509       272.2401 6605.465       270.9117 234.5043 4.798427 233.4108 4.797386 1.093521       6.785264 
1 1 1 -27 15 9  o 253.7344 3.592530 7796.986       220.2957 8086.837       320.8572 7538.501       302.9994 258.1799 5.136734 249.2889 5.023848 8.890991       7.185060 
1 1 1 -27 15 10 o 260.7566 3.671047 8241.981       231.3948 8535.354       335.8835 7976.972       319.2343 265.1590 5.235762 256.3542 5.147149 8.804840       7.342094 
1 1 1 -27 15 11 o 194.0763 3.045320 4570.038       142.9879 4606.917       202.8723 4533.632       201.5649 194.8547 4.303378 193.2978 4.310084 1.556961       6.090639 
1 1 1 -27 15 12 o 185.4675 2.972120 4176.340       133.3605 4145.655       187.8931 4207.492       189.3155 184.7811 4.202919 186.1540 4.203505 -1.372910      5.944239 
1 1 1 -27 15 13 o 152.0271 3.908183 2807.734       143.7468 0.000000       0.000000 2807.734       143.7468 ?        ?        152.0271 3.908183 ?              ?        
1 1 1 -27 15 14 o 41.36246 4.302066 208.5278       42.66654 219.9288       65.52071 200.1337       56.22058 42.30652 6.401312 40.41840 5.749285 1.888119       8.604132 
1 1 1 -27 15 15 o 46.12897 3.815087 256.7232       42.10467 317.4118       64.03722 210.5073       55.88236 50.87199 5.202972 41.38596 5.581096 9.486038       7.630173 
1 1 1 -27 15 16 o 20.45135 5.648112 31.51638       39.44724 49.13542       64.56118 21.02017       49.83064 22.63484 8.577005 18.26785 7.351167 4.366985       11.29622 
1 1 1 -27 15 17 o 31.22202 5.654616 124.4095       41.40803 145.9029       70.28606 112.9840       51.24540 33.08836 8.674054 29.35569 7.256687 3.732668       11.30923 
1 1 1 -27 15 18 f 35.24305 5.221723 181.5363       42.80495 96.08485       69.99817 232.5781       54.09908 27.27556 9.071189 43.21054 5.174851 -15.93497      10.44345 
1 1 1 -27 15 19 o 21.73503 5.719426 50.00715       42.87477 1.480433       69.44613 79.89609       54.50204 18.81660 8.181031 24.65346 7.994878 -5.836859      11.43885 
1 1 1 -27 15 20 o 27.17673 6.946838 55.66183       57.50798 208.0904       111.2894 0.1321832      67.17117 36.23552 11.38922 18.11795 7.957385 18.11757       13.89368 
1 1 1 -27 17 1  o 169.2385 2.916513 3454.934       119.0924 3681.543       176.5674 3265.799       161.3091 174.3025 4.187016 164.1745 4.061168 10.12805       5.833025 
1 1 1 -27 17 2  o 313.8706 4.245054 11871.48       320.6942 12803.07       484.3506 11144.27       427.9318 324.7243 6.165137 303.0169 5.837210 21.70743       8.490108 
1 1 1 -27 17 3  o 210.7864 3.225686 5377.258       164.3306 5207.092       226.2093 5567.411       239.1255 207.2656 4.511084 214.3071 4.611975 -7.041534      6.451371 
1 1 1 -27 17 4  o 106.4678 2.767557 1373.560       71.27551 1356.645       101.3372 1390.120       100.2688 105.8171 3.958318 107.1185 3.869005 -1.301338      5.535113 
1 1 1 -27 17 5  o 79.81372 3.057553 773.9688       58.68132 669.6275       82.30744 881.8335       83.68557 74.32024 4.577514 85.30720 4.054737 -10.98696      6.115106 
1 1 1 -27 17 6  o 112.1718 2.754611 1524.560       74.74549 1519.775       104.7568 1529.522       106.6817 111.9939 3.866211 112.3496 3.924786 -0.3557053     5.509222 
1 1 1 -27 17 7  o 283.7465 3.927078 9771.739       269.5202 9957.795       386.5488 9595.711       375.9889 286.3690 5.579252 281.1240 5.528085 5.244995       7.854157 
1 1 1 -27 17 8  o 118.6636 2.762105 1706.823       79.29434 1687.246       111.5997 1726.783       112.6865 117.9762 3.909905 119.3510 3.902505 -1.374756      5.524210 
1 1 1 -27 17 9  o 233.1582 3.424092 6601.861       193.1471 6591.352       272.1250 6612.531       274.1891 232.9739 4.827908 233.3425 4.856844 -0.3685760     6.848185 
1 1 1 -27 17 10 o 146.3559 2.795077 2598.440       98.95083 2667.698       141.4138 2532.000       138.5067 148.2672 3.942252 144.4446 3.963392 3.822617       5.590155 
1 1 1 -27 17 11 o 67.99982 3.235419 561.1316       53.10181 509.0583       73.44279 618.1768       76.86893 64.69162 4.692441 71.30801 4.455642 -6.616394      6.470838 
1 1 1 -27 17 12 o 47.54523 4.109353 273.3881       46.44641 292.9464       73.85337 260.5911       59.73922 48.89543 6.243092 46.19503 5.345176 2.700405       8.218705 
1 1 1 -27 17 13 o 116.0057 2.755314 1636.101       77.26796 1708.935       112.0042 1569.962       106.7331 118.4630 3.907953 113.5485 3.885218 4.914543       5.510627 
1 1 1 -27 17 14 o 26.12549 5.888639 85.05608       44.28100 39.20239       69.94927 115.7203       57.20207 22.37126 8.805088 29.87972 7.821426 -7.508459      11.77728 
1 1 1 -27 17 15 f 80.42074 3.074635 784.7907       59.40594 927.8931       88.58678 667.8492       80.08105 87.05066 4.206244 73.79082 4.485648 13.25984       6.149271 
1 1 1 -27 17 16 o 122.4708 3.830502 1837.763       113.4986 0.000000       0.000000 1837.763       113.4986 ?        ?        122.4708 3.830502 ?              ?        
1 1 1 -27 17 17 o 39.11774 5.484221 197.2304       49.40588 243.3556       78.47559 166.9441       63.59003 42.83320 7.862462 35.40228 7.647773 7.430916       10.96844 
1 1 1 -27 17 18 o 30.94718 5.607575 94.86396       47.13005 256.4054       82.51270 16.63974       57.41817 43.44966 8.148671 18.44470 7.705761 25.00495       11.21515 
1 1 1 -27 17 19 f 26.88334 6.281499 103.2893       50.61338 47.87168       83.41474 135.5810       63.67430 22.90641 9.401555 30.86028 8.333047 -7.953861      12.56300 
1 1 1 -27 17 20 o 29.77814 7.891967 137.6335       72.77039 185.9607       128.7417 114.9435       88.21464 32.21635 12.13444 27.33994 10.09396 4.876410       15.78393 
1 1 1 -27 19 1  o 250.9736 3.611746 7605.239       218.4995 8143.062       326.5391 7169.195       294.0224 258.9432 5.212287 243.0040 5.001090 15.93919       7.223492 
1 1 1 -27 19 2  o 142.7668 2.864932 2458.732       98.67132 2727.673       145.1581 2227.727       134.5316 149.9913 4.000121 135.5424 4.102483 14.44885       5.729864 
1 1 1 -27 19 3  f 177.9457 3.006255 3840.037       129.4121 3815.224       181.5555 3865.666       184.5131 177.3637 4.230994 178.5278 4.271880 -1.164154      6.012509 
1 1 1 -27 19 4  o 220.5077 3.322171 5879.917       176.8763 6247.035       260.4394 5565.625       240.9748 226.8657 4.744992 214.1497 4.651058 12.71599       6.644342 
1 1 1 -27 19 5  o 56.03015 3.934171 382.7495       53.11534 343.9833       75.23150 421.2795       75.00188 53.17868 5.847361 58.88162 5.264900 -5.702934      7.868341 
1 1 1 -27 19 6  o 106.0917 3.981718 1365.429       102.2008 0.000000       0.000000 1365.429       102.2008 ?        ?        106.0917 3.981718 ?              ?        
1 1 1 -27 19 7  f 276.3774 4.736587 9319.506       298.4458 9333.730       517.1481 9312.402       365.4406 276.1227 7.741240 276.6321 5.460241 -0.5094604     9.473174 
1 1 1 -27 19 8  o 88.90557 2.948679 960.3569       63.30708 886.2891       88.90149 1036.556       90.17146 85.41505 4.302019 92.39610 4.033789 -6.981049      5.897357 
1 1 1 -27 19 9  o 88.75286 4.110743 957.2659       88.26834 957.2659       88.26834 0.000000       0.000000 88.75286 4.110743 ?        ?        ?              ?        
1 1 1 -27 19 10 o 98.13285 2.866370 1173.217       67.93821 1105.559       96.70831 1239.142       95.46209 95.31609 4.193680 100.9496 3.908625 -5.633530      5.732739 
1 1 1 -27 19 11 o 57.60670 3.841968 403.3675       53.28562 437.4656       80.34633 376.5942       71.19530 59.74698 5.558373 55.46643 5.305408 4.280556       7.683936 
1 1 1 -27 19 12 o 86.15910 3.124624 906.6913       65.11387 925.1481       93.48357 889.2992       90.74721 87.00597 4.441032 85.31224 4.396626 1.693733       6.249248 
1 1 1 -27 19 13 o 56.01091 4.240676 390.3078       57.12060 356.1104       82.76615 421.4098       78.93166 53.57168 6.385798 58.45015 5.581660 -4.878464      8.481352 
1 1 1 -27 19 14 o 132.2764 4.056357 2143.380       129.8138 0.000000       0.000000 2143.380       129.8138 ?        ?        132.2764 4.056357 ?              ?        
1 1 1 -27 19 15 o 53.64455 4.405814 375.7124       54.56327 267.6526       80.64649 466.9336       74.09711 45.88977 7.263857 61.39933 4.988102 -15.50957      8.811627 
1 1 1 -27 19 16 o 60.08949 3.865827 449.6790       56.01463 490.4857       83.41344 416.1631       75.59560 62.53897 5.512937 57.64001 5.420885 4.898968       7.731653 
1 1 1 -27 19 17 o 41.89729 5.745145 236.8749       55.36879 256.8413       87.00927 223.2873       71.77737 43.09377 8.646120 40.70081 7.567785 2.392960       11.49029 
1 1 1 -27 19 18 o 22.06238 6.337739 46.59513       51.59281 39.61610       86.75456 50.41397       64.17426 22.50897 9.442630 21.61579 8.456034 0.8931770      12.67548 
1 1 1 -27 19 19 o 18.59424 6.261970 -65.42103      74.72237 -109.4349      130.2775 -43.84296      91.21812 19.22397 9.283086 17.96450 8.406747 1.259466       12.52394 
1 1 1 -27 21 1  o 78.95229 4.635694 758.1322       88.54861 0.000000       0.000000 758.1322       88.54861 ?        ?        78.95229 4.635694 ?              ?        
1 1 1 -27 21 2  o 131.0361 2.863389 2074.548       90.53333 1927.206       122.7909 2250.045       134.0104 125.9676 4.029074 136.1046 4.069711 -10.13702      5.726778 
1 1 1 -27 21 3  o 73.13390 3.363996 653.8941       58.97191 549.1559       82.99582 760.6919       83.80785 67.15818 5.108048 79.10961 4.378780 -11.95143      6.727992 
1 1 1 -27 21 4  o 65.11713 3.519775 516.1812       55.37667 517.5574       80.47488 514.9435       76.31916 65.18894 5.102512 65.04532 4.849704 0.1436234      7.039550 
1 1 1 -27 21 5  o 40.83723 5.189215 208.2705       49.28023 279.4745       72.45286 146.9697       67.22585 47.80340 6.264616 33.87107 8.274442 13.93232       10.37843 
1 1 1 -27 21 6  o 83.02147 3.110308 838.3637       62.41232 847.7944       90.50341 829.8118       86.18365 83.45695 4.482292 82.58598 4.313366 0.8709717      6.220616 
1 1 1 -27 21 7  o 50.81850 4.269169 311.6492       51.70128 343.2534       81.87469 290.6891       66.67678 52.88946 6.398501 48.74753 5.653530 4.141933       8.538338 
1 1 1 -27 21 8  o 134.5391 2.859114 2204.099       93.06293 2193.966       131.1995 2214.360       132.0261 134.2287 4.040031 134.8496 4.046762 -0.6209259     5.718229 
1 1 1 -27 21 9  o 59.31374 4.103716 431.6386       57.01267 588.5097       84.35988 299.7499       77.35142 69.33636 5.028895 49.29111 6.486305 20.04525       8.207432 
1 1 1 -27 21 10 o 87.17732 3.155241 929.0729       66.53539 948.3790       95.23963 910.6676       92.99115 88.05990 4.470305 86.29474 4.454049 1.765160       6.310482 
1 1 1 -27 21 11 o 101.6998 2.927206 1263.075       71.97235 1323.088       104.0180 1207.954       99.68850 104.0157 4.133399 99.38378 4.145981 4.631966       5.854412 
1 1 1 -27 21 12 o 48.26481 4.653003 291.8659       53.52867 285.3913       82.52007 296.5694       70.33381 47.66214 7.156221 48.86748 5.948971 -1.205345      9.306006 
1 1 1 -27 21 13 o 68.57787 3.736655 583.9006       61.92729 560.4370       88.33147 606.5806       86.84430 67.17259 5.435269 69.98314 5.129152 -2.810547      7.473309 
1 1 1 -27 21 14 f 91.72001 3.176778 1037.948       70.37634 1081.418       103.2145 1000.179       96.20877 93.47851 4.563799 89.96151 4.420340 3.516998       6.353555 
1 1 1 -27 21 15 o 76.25841 3.712596 727.7009       68.38769 769.9266       100.2041 690.8842       93.56635 78.30249 5.289414 74.21432 5.211102 4.088165       7.425193 
1 1 1 -27 21 16 o 87.77356 3.445663 968.2817       73.05831 1002.059       106.9353 938.7153       100.0483 89.14543 4.958151 86.40168 4.786139 2.743752       6.891327 
1 1 1 -27 21 17 o 27.32489 7.105637 105.4536       63.72795 65.80076       95.11927 137.7493       85.84280 24.53271 10.05085 30.11706 10.04693 -5.584351      14.21127 
1 1 1 -27 21 18 o 37.09922 7.426353 231.3257       69.81155 264.7274       102.7342 202.6693       95.15742 39.67474 10.52842 34.52370 10.47641 5.151031       14.85271 
1 1 1 -27 23 1  o 110.1024 2.948020 1478.359       78.51389 1476.680       112.0987 1479.976       110.0018 110.0321 4.210940 110.1726 4.126897 -0.1405792     5.896041 
1 1 1 -27 23 2  o 35.05234 6.053119 157.1828       50.69899 183.1308       76.87432 137.2094       67.44575 37.55764 8.640035 32.54704 8.480024 5.010605       12.10624 
1 1 1 -27 23 3  o 46.22681 4.558458 258.3450       50.45144 314.7749       77.43697 216.7258       66.50294 50.54279 6.332670 41.91084 6.558616 8.631947       9.116916 
1 1 1 -27 23 4  o 60.79000 3.923532 460.3624       56.81530 389.4281       83.15268 522.4759       77.81099 56.23792 6.111457 65.34209 4.922045 -9.104179      7.847065 
1 1 1 -27 23 5  o 65.46709 3.613097 514.1948       56.62066 616.7624       87.78510 441.1287       74.09243 70.93871 5.114878 59.99547 5.104499 10.94324       7.226194 
1 1 1 -27 23 6  o 117.7755 2.928100 1684.708       83.20876 1855.052       122.6107 1539.276       113.2910 123.2735 4.111085 112.2774 4.170619 10.99603       5.856201 
1 1 1 -27 23 7  o 28.23785 6.535101 88.45471       50.86710 141.2269       84.55463 58.52371       63.67891 32.94756 9.848143 23.52814 8.593270 9.419426       13.07020 
1 1 1 -27 23 8  o 39.26720 9.044367 207.5426       103.2365 268.6496       132.4801 113.0637       164.7300 44.31804 12.04196 34.21636 13.49791 10.10168       18.08873 
1 1 1 -27 23 9  o 59.42675 4.208075 437.3963       60.45173 461.2477       87.38507 415.5057       83.71622 60.98507 5.922587 57.86843 5.979510 3.116638       8.416150 
1 1 1 -27 23 10 o 84.04659 3.436718 876.8351       69.37341 777.6686       99.84464 969.3931       96.46046 79.30455 5.203845 88.78861 4.490448 -9.484062      6.873436 
1 1 1 -27 23 11 f 65.29285 3.945204 531.5521       62.20444 520.2953       90.16573 541.7756       85.92794 64.56647 5.772078 66.01923 5.379745 -1.452759      7.890408 
1 1 1 -27 23 12 o 36.52196 5.989230 189.6570       59.22506 54.27768       89.08425 296.8871       79.28358 24.73498 9.872574 48.30894 6.783494 -23.57396      11.97846 
1 1 1 -27 23 13 o 21.64827 6.205010 22.57693       55.32404 -49.38802      84.18284 77.28798       73.40076 17.97649 8.296349 25.32006 9.229259 -7.343571      12.41002 
1 1 1 -27 23 14 o 74.69737 3.677921 698.7335       66.16077 769.0402       99.56715 643.1467       88.53276 77.98756 5.277016 71.40717 5.124599 6.580391       7.355842 
1 1 1 -27 23 15 o 25.20282 6.194992 47.61367       59.40686 173.9710       83.36476 -82.75789      84.67861 34.13158 9.660126 16.27406 7.758457 17.85752       12.38998 
1 1 1 -27 23 16 o 81.81017 4.065872 882.1706       80.09929 892.3928       108.7575 870.0529       118.4123 82.68102 5.436897 80.93932 6.046933 1.741699       8.131743 
1 1 1 -27 25 1  o 69.59583 3.719252 599.4120       62.02350 585.9583       93.82153 609.8560       82.66321 68.79709 5.636767 70.39455 4.853677 -1.597466      7.438503 
1 1 1 -27 25 2  o 105.6142 3.002984 1357.514       76.46301 1505.011       113.7103 1235.771       103.3068 110.8161 4.241260 100.4123 4.252454 10.40374       6.005968 
1 1 1 -27 25 3  f 151.7576 3.015944 2822.766       110.7201 2848.846       158.0243 2797.617       155.1782 152.4368 4.284813 151.0783 4.245473 1.358429       6.031888 
1 1 1 -27 25 4  o 27.34003 6.540853 88.79285       49.99284 106.9686       82.85471 78.38740       62.69055 29.27720 9.870207 25.40287 8.585456 3.874323       13.08171 
1 1 1 -27 25 5  o 81.28468 3.452606 814.3211       67.53173 813.3038       100.7943 815.1498       90.96832 81.15999 5.133243 81.40938 4.618633 -0.2493896     6.905212 
1 1 1 -27 25 6  o 30.03427 6.252585 89.80677       54.78942 216.7798       88.10901 9.753731       69.96060 40.20220 9.250903 19.86633 8.414277 20.33587       12.50517 
1 1 1 -27 25 7  o 88.66581 3.363358 956.3925       71.54626 1145.629       108.2567 809.6381       95.33414 96.38274 4.642514 80.94888 4.867829 15.43385       6.726715 
1 1 1 -27 25 8  o 43.95111 5.667495 251.6871       58.56253 255.2419       88.28469 248.8939       78.25862 43.70415 8.655662 44.19808 7.318573 -0.4939346     11.33499 
1 1 1 -27 25 9  o 85.65855 3.414701 906.9101       70.56461 1008.113       103.1676 817.9429       96.73003 90.17542 4.728822 81.14169 4.927368 9.033737       6.829401 
1 1 1 -27 25 10 o 28.13049 6.856657 103.0173       56.55838 99.19773       83.20298 106.2984       77.11479 27.89358 9.868087 28.36740 9.522385 -0.4738274     13.71331 
1 1 1 -27 25 11 o 31.53402 6.902187 132.6527       60.61034 199.1412       90.21821 77.95750       81.82681 37.34817 9.844940 25.71987 9.676669 11.62830       13.80437 
1 1 1 -27 25 12 o 48.15392 5.985351 324.3205       66.59737 270.6062       99.12626 368.5133       89.91228 43.29939 9.702859 53.00845 7.010864 -9.709064      11.97070 
1 1 1 -27 25 13 o 51.91451 5.926754 378.9214       70.20749 267.0846       97.22619 500.7766       101.4876 42.40845 9.688234 61.42057 6.829626 -19.01211      11.85351 
1 1 1 -27 25 14 o 43.02309 6.474669 281.4407       67.85911 173.4903       94.57577 395.9865       97.42205 32.66622 10.52521 53.37995 7.543568 -20.71373      12.94934 
1 1 1 -27 27 1  o 19.61974 6.029250 -36.16607      56.24794 55.92003       87.54799 -100.8976      73.40185 24.67176 9.806011 14.56771 7.017804 10.10404       12.05850 
1 1 1 -27 27 2  o 18.52924 5.817103 -30.29323      51.27137 26.52938       84.13055 -63.86619      64.66778 22.30367 9.323568 14.75481 6.958868 7.548862       11.63421 
1 1 1 -27 27 3  o 25.17929 6.464329 60.22789       58.64481 -35.86613      90.43771 129.9545       77.03725 19.46197 8.836399 30.89661 9.437597 -11.43464      12.92866 
1 1 1 -27 27 4  o 66.64912 4.173713 557.4315       66.89438 581.4106       101.0790 538.7444       89.23083 67.79856 6.162233 65.49968 5.630844 2.298882       8.347426 
1 1 1 -27 27 5  o 72.39673 3.815963 647.9805       66.36788 745.2069       101.1980 574.6035       87.91435 77.08149 5.426494 67.71196 5.366512 9.369530       7.631926 
1 1 1 -27 27 6  o 47.35790 5.725805 306.2578       62.08923 250.5853       93.96809 349.3984       82.71861 42.43221 9.400855 52.28360 6.539364 -9.851391      11.45161 
1 1 1 -27 27 7  o 47.36609 5.736935 303.5878       63.34305 264.6440       92.77593 337.5932       86.69419 43.66588 9.078048 51.06629 7.017031 -7.400410      11.47387 
1 1 1 -27 27 8  o 34.16301 6.763258 169.7063       62.28854 93.85076       92.02751 233.8371       84.61694 27.37964 10.26974 40.94637 8.803356 -13.56673      13.52652 
1 1 1 -27 27 9  o 31.42843 7.098026 143.4904       60.74197 142.8912       91.19501 143.9682       81.43532 31.32644 10.35088 31.53042 9.715307 -0.2039871     14.19605 
1 1 1 -27 27 10 o 22.94054 6.678304 38.02187       61.25845 88.90486       91.00401 -4.137074      82.83600 26.31546 10.13172 19.56562 8.703293 6.749836       13.35661 
1 1 1 -27 27 11 o 42.08733 6.926939 271.7914       69.70188 226.5231       98.76954 316.7017       98.37833 37.83169 10.44685 46.34298 9.099087 -8.511292      13.85388 
1 1 1 -27 27 12 o 18.47325 6.120876 -49.53980      69.56340 -89.26506      100.0625 -12.38205      96.77487 17.20293 8.263413 19.74356 9.031970 -2.540625      12.24175 
1 1 1 -26 0  1  o 624.1210 7.762628 47201.56       1656.501 47201.56       1656.501 47201.56       1656.501 624.1210 10.97801 624.1210 10.97801 0.000000       0.000000 
1 1 1 -26 0  2  o 90.44714 2.173606 993.0913       67.08949 993.0913       67.08949 993.0913       67.08949 90.44714 3.073943 90.44714 3.073943 0.000000       0.000000 
1 1 1 -26 0  3  o 614.8687 7.650916 45811.44       1608.458 45811.44       1608.458 45811.44       1608.458 614.8687 10.82003 614.8687 10.82003 0.000000       0.000000 
1 1 1 -26 0  4  o 340.4545 4.447342 14039.45       517.6575 14039.45       517.6575 14039.45       517.6575 340.4545 6.289492 340.4545 6.289492 0.000000       0.000000 
1 1 1 -26 0  5  o 258.2022 3.541931 8075.306       312.6428 8075.306       312.6428 8075.306       312.6428 258.2022 5.009047 258.2022 5.009047 0.000000       0.000000 
1 1 1 -26 0  6  o 831.6469 10.25505 83878.04       2916.057 83878.04       2916.057 83878.04       2916.057 831.6469 14.50282 831.6469 14.50282 0.000000       0.000000 
1 1 1 -26 0  7  o 84.43548 2.106952 865.7130       60.69720 865.7130       60.69720 865.7130       60.69720 84.43548 2.979680 84.43548 2.979680 0.000000       0.000000 
1 1 1 -26 0  8  o 119.4745 2.271875 1730.670       92.71851 1730.670       92.71851 1730.670       92.71851 119.4745 3.212917 119.4745 3.212917 0.000000       0.000000 
1 1 1 -26 0  9  o 441.2226 5.610629 23597.25       846.3884 23597.25       846.3884 23597.25       846.3884 441.2226 7.934628 441.2226 7.934628 0.000000       0.000000 
1 1 1 -26 0  10 o 33.10979 2.997569 139.0471       32.43412 139.0471       32.43412 139.0471       32.43412 33.10979 4.239202 33.10979 4.239202 0.000000       0.000000 
1 1 1 -26 0  11 o 326.8436 4.299274 12949.65       480.4114 12949.65       480.4114 12949.65       480.4114 326.8436 6.080091 326.8436 6.080091 0.000000       0.000000 
1 1 1 -26 0  12 o 324.7601 4.277386 12787.70       474.9178 12787.70       474.9178 12787.70       474.9178 324.7601 6.049138 324.7601 6.049138 0.000000       0.000000 
1 1 1 -26 0  13 o 162.4378 2.591434 3198.449       143.8617 3198.449       143.8617 3198.449       143.8617 162.4378 3.664841 162.4378 3.664841 0.000000       0.000000 
1 1 1 -26 0  14 f 170.6379 2.673796 3529.784       155.9334 3529.784       155.9334 3529.784       155.9334 170.6379 3.781319 170.6379 3.781319 0.000000       0.000000 
1 1 1 -26 0  15 o 96.51405 2.107315 1130.590       69.43827 1130.590       69.43827 1130.590       69.43827 96.51405 2.980194 96.51405 2.980194 0.000000       0.000000 
1 1 1 -26 2  1  o 438.4241 6.338865 23841.58       605.5131 24628.44       721.2684 21963.12       1114.424 451.0820 6.609051 425.7662 10.81875 25.31580       12.67773 
1 1 1 -26 2  2  o 236.7937 3.826718 6825.834       191.0610 6868.312       221.6839 6703.153       376.7404 238.2573 3.845791 235.3300 6.617021 2.927307       7.653435 
1 1 1 -26 2  3  o 604.0762 8.580397 45104.04       1124.190 46265.73       1332.606 42236.77       2093.589 618.1064 8.911201 590.0460 14.66572 28.06042       17.16079 
1 1 1 -26 2  4  o 247.6799 4.210917 7327.730       234.4637 7168.762       281.8750 7684.711       422.3998 243.3982 4.786707 251.9615 6.929266 -8.563232      8.421834 
1 1 1 -26 2  5  o 292.9575 4.495450 10541.21       281.3826 10720.67       329.7652 10060.68       539.6155 297.6520 4.579243 288.2630 7.737366 9.388977       8.990901 
1 1 1 -26 2  6  o 636.2457 9.056123 49758.88       1233.881 50548.40       1447.664 47662.11       2359.183 645.9879 9.262777 626.5035 15.56452 19.48431       18.11225 
1 1 1 -26 2  7  f 102.3992 2.623748 1198.387       60.25439 1094.149       71.40075 1456.276       112.3068 95.09635 3.103392 109.7020 4.231450 -14.60564      5.247495 
1 1 1 -26 2  8  o 434.7922 6.373137 23005.77       584.4670 23102.96       677.9882 22724.57       1153.239 436.7982 6.415625 432.7863 11.01396 4.011902       12.74627 
1 1 1 -26 2  9  o 484.8968 7.051700 28720.25       722.6338 28911.73       839.7302 28173.71       1418.714 488.4462 7.105927 481.3474 12.18243 7.098724       14.10340 
1 1 1 -26 2  10 o 211.3836 3.532969 5424.899       156.5863 5438.348       181.0010 5384.890       312.1876 211.9678 3.529464 210.7994 6.121303 1.168427       7.065937 
1 1 1 -26 2  11 o 243.9340 3.893720 7373.947       204.3923 7579.769       241.2646 6850.684       384.6874 250.2024 3.985657 237.6657 6.690200 12.53665       7.787441 
1 1 1 -26 2  12 o 366.3378 4.749942 16283.89       420.9600 16161.37       591.0269 16410.04       599.7230 364.9435 6.693902 367.7322 6.740880 -2.788788      9.499884 
1 1 1 -26 2  13 o 128.1001 2.330025 1982.822       72.13773 2079.413       104.9325 1896.262       99.33392 131.0518 3.309515 125.1483 3.280727 5.903488       4.660050 
1 1 1 -26 2  14 o 97.83145 2.166102 1146.115       50.96879 1327.578       76.53592 1001.508       68.32278 104.7147 3.021032 90.94822 3.105053 13.76646       4.332204 
1 1 1 -26 2  15 o 129.4436 3.290276 2029.392       103.0422 2029.392       103.0422 0.000000       0.000000 129.4436 3.290276 ?        ?        ?              ?        
1 1 1 -26 4  1  o 601.5975 8.751483 43002.91       1070.492 42287.16       1214.433 45496.73       2266.875 590.9423 8.494274 612.2528 15.30363 -21.31049      17.50297 
1 1 1 -26 4  2  o 479.6100 7.001543 27792.27       701.1337 27721.94       807.7642 28007.14       1411.935 478.5493 6.976789 480.6707 12.14128 -2.121368      14.00309 
1 1 1 -26 4  3  o 222.3782 3.671791 6003.847       171.5560 6023.725       198.5429 5945.271       340.8202 223.1283 3.677879 221.6281 6.356209 1.500153       7.343581 
1 1 1 -26 4  4  o 161.4790 3.201409 3249.549       120.9442 3647.794       158.7351 2698.394       186.7386 173.6334 3.778655 149.3245 5.168930 24.30893       6.402818 
1 1 1 -26 4  5  o 550.1104 7.939520 36767.44       918.2476 36857.64       1062.919 36502.08       1823.092 551.7122 7.963154 548.5085 13.73798 3.203735       15.87904 
1 1 1 -26 4  6  o 237.6673 3.844884 6868.277       192.4017 6901.275       222.9959 6772.160       380.5871 238.8203 3.859431 236.5142 6.651115 2.306061       7.689768 
1 1 1 -26 4  7  o 233.5533 3.788947 6718.814       188.8169 6854.964       221.3083 6354.551       361.9900 238.0125 3.843223 229.0941 6.531011 8.918442       7.577893 
1 1 1 -26 4  8  o 332.3958 5.053061 13275.28       347.8172 13173.75       398.6410 13599.05       711.8632 329.8827 4.994823 334.9088 8.785523 -5.026154      10.10612 
1 1 1 -26 4  9  o 71.99673 2.630728 638.3557       38.44947 647.8525       43.92978 607.2576       79.49467 73.17251 2.481468 70.82097 4.639529 2.351540       5.261456 
1 1 1 -26 4  10 o 52.58665 3.144648 361.1136       31.45822 379.7081       35.48233 292.8019       68.00903 56.01606 2.618166 49.15723 5.718431 6.858829       6.289296 
1 1 1 -26 4  11 o 71.53088 2.764926 653.7047       39.23209 682.0292       44.77192 560.0238       81.42337 75.07296 2.465017 67.98881 4.950047 7.084152       5.529853 
1 1 1 -26 4  12 o 175.1441 3.157105 3800.276       117.4345 3896.930       137.4900 3539.560       225.8109 179.4181 3.167397 170.8701 5.462311 8.547958       6.314210 
1 1 1 -26 4  13 o 259.5909 4.097575 8349.313       228.6278 8567.329       269.5689 7790.601       431.5379 265.9306 4.189856 253.2511 7.043124 12.67955       8.195150 
1 1 1 -26 4  14 o 185.3543 2.820243 4162.383       126.4698 4135.344       178.5327 4189.620       179.1796 184.7496 3.994218 185.9589 3.982624 -1.209305      5.640485 
1 1 1 -26 4  15 o 168.7838 2.666073 3440.511       108.6639 3643.243       159.7816 3266.064       148.2172 173.3913 3.808878 164.1764 3.731518 9.214859       5.332146 
1 1 1 -26 4  16 o 128.5797 3.267276 2003.675       101.6390 2003.675       101.6390 0.000000       0.000000 128.5797 3.267276 ?        ?        ?              ?        
1 1 1 -26 4  17 o 59.15838 2.730764 424.1532       39.08434 424.1532       39.08434 0.000000       0.000000 59.15838 2.730764 ?        ?        ?              ?        
1 1 1 -26 6  1  o 111.0249 2.383825 1488.652       63.96988 1577.097       92.65250 1408.086       88.42934 114.1704 3.354294 107.8793 3.388097 6.291084       4.767651 
1 1 1 -26 6  2  o 1107.228 17.26169 139379.0       3965.613 130546.7       4497.169 170255.8       8408.493 1036.197 17.93886 1178.260 29.49679 -142.0631      34.52337 
1 1 1 -26 6  3  o 298.2922 7.959837 10774.54       574.4449 10774.54       574.4449 0.000000       0.000000 298.2922 7.959837 ?        ?        ?              ?        
1 1 1 -26 6  4  o 655.3411 8.142012 52039.87       1290.332 53023.18       1859.114 51125.94       1792.328 661.2970 11.62003 649.3851 11.40809 11.91187       16.28402 
1 1 1 -26 6  5  o 459.4648 5.823558 25564.27       647.2519 25834.91       925.3641 25305.02       905.6587 461.8420 8.281651 457.0876 8.189603 4.754486       11.64712 
1 1 1 -26 6  6  o 196.9163 2.949142 4691.774       140.4882 4643.901       197.0567 4741.257       200.3447 195.8951 4.157816 197.9374 4.183577 -2.042297      5.898283 
1 1 1 -26 6  7  o 115.2663 2.332120 1606.714       65.01565 1559.602       90.66344 1656.591       93.28461 113.5279 3.300861 117.0048 3.295369 -3.476891      4.664241 
1 1 1 -26 6  8  o 460.6344 5.841471 25730.60       650.9343 25979.38       928.6033 25490.25       912.7225 462.8185 8.293104 458.4502 8.228946 4.368317       11.68294 
1 1 1 -26 6  9  o 208.8004 3.043289 5277.458       153.7145 5346.411       219.6654 5211.297       215.1745 210.1357 4.320753 207.4650 4.286903 2.670776       6.086579 
1 1 1 -26 6  10 o 363.2532 4.715311 16001.03       414.3620 16151.08       591.0141 15855.97       581.1043 364.9243 6.694109 361.5821 6.642704 3.342163       9.430621 
1 1 1 -26 6  11 o 457.2393 5.813551 25402.84       643.0266 25671.91       918.5387 25144.25       900.4840 459.6033 8.260608 454.8753 8.182412 4.727997       11.62710 
1 1 1 -26 6  12 o 361.9634 4.711984 15903.64       412.6335 15960.86       585.4790 15847.18       581.6437 362.6084 6.673769 361.3185 6.653720 1.289886       9.423968 
1 1 1 -26 6  13 o 235.7151 3.329123 6727.539       189.7324 6921.638       274.3936 6549.717       262.6367 238.9658 4.746089 232.4644 4.669783 6.501434       6.658245 
1 1 1 -26 6  14 o 102.7745 2.292233 1279.351       56.98278 1247.464       80.59565 1311.223       80.57598 101.4923 3.282283 104.0566 3.200617 -2.564232      4.584466 
1 1 1 -26 6  15 o 243.8870 3.979788 7087.810       198.3475 6970.803       225.5374 7487.209       416.6943 239.8046 3.887394 247.9693 6.945720 -8.164673      7.959577 
1 1 1 -26 6  16 o 164.9103 3.243758 3290.318       121.4248 3265.431       147.7706 3342.058       213.0621 164.0718 3.722647 165.7487 5.313170 -1.676910      6.487517 
1 1 1 -26 6  17 o 168.2745 3.769032 3439.707       153.4442 3439.707       153.4442 0.000000       0.000000 168.2745 3.769032 ?        ?        ?              ?        
1 1 1 -26 6  18 o 71.44096 2.904722 619.7286       50.20584 619.7286       50.20584 0.000000       0.000000 71.44096 2.904722 ?        ?        ?              ?        
1 1 1 -26 8  1  o 286.8563 3.886840 9900.638       268.6411 9336.049       360.5447 10605.27       402.7873 277.7225 5.365940 295.9901 5.624660 -18.26761      7.773680 
1 1 1 -26 8  2  f 311.2700 4.158705 11713.62       312.8736 11403.99       431.0446 12058.39       454.8551 306.9311 5.804690 315.6088 5.956918 -8.677704      8.317410 
1 1 1 -26 8  3  o 263.3830 5.126249 8396.385       326.6553 8396.385       326.6553 0.000000       0.000000 263.3830 5.126249 ?        ?        ?              ?        
1 1 1 -26 8  4  o 128.1732 2.440746 1976.448       75.46603 1828.922       102.1858 2153.447       111.9285 122.9423 3.435477 133.4042 3.467919 -10.46193      4.881492 
1 1 1 -26 8  5  o 330.0927 4.363604 13173.27       348.0454 12793.94       477.9534 13601.51       507.8246 325.0470 6.077670 335.1383 6.263072 -10.09131      8.727207 
1 1 1 -26 8  6  f 394.6890 6.198727 19055.07       565.2322 18334.32       943.4843 19458.57       705.9388 388.6615 10.03369 400.7166 7.281610 -12.05505      12.39745 
1 1 1 -26 8  7  o 133.7179 2.454721 2162.664       79.38813 2101.889       110.6643 2227.104       113.9514 131.7836 3.470914 135.6522 3.472085 -3.868576      4.909442 
1 1 1 -26 8  8  o 219.3198 4.488178 5827.530       238.0941 5693.040       332.4991 5969.066       341.0974 216.7244 6.341331 221.9153 6.353148 -5.190918      8.976356 
1 1 1 -26 8  9  o 35.01030 3.545026 152.6785       28.40221 197.3107       40.67516 110.2099       39.67701 40.36666 4.164896 29.65394 5.737812 10.71272       7.090053 
1 1 1 -26 8  10 o 343.3398 4.497074 14297.45       373.5360 14398.17       531.6604 14199.26       524.9235 344.5311 6.378280 342.1484 6.341313 2.382690       8.994148 
1 1 1 -26 8  11 o 293.4485 3.954600 10437.23       280.6808 10268.48       391.2906 10616.11       402.8470 291.0104 5.557618 295.8866 5.627461 -4.876221      7.909199 
1 1 1 -26 8  12 o 265.3720 3.653505 8536.487       234.5328 8437.338       328.2733 8639.861       335.1938 263.8011 5.143474 266.9429 5.190095 -3.141785      7.307011 
1 1 1 -26 8  13 o 58.49160 2.674629 414.1552       37.61132 354.0923       52.09744 479.5370       54.35527 54.06105 3.983177 62.92215 3.570555 -8.861103      5.349258 
1 1 1 -26 8  14 o 86.67725 2.345278 909.9819       49.17952 898.7480       69.28085 921.3922       69.82301 86.13778 3.324430 87.21671 3.308999 -1.078926      4.690555 
1 1 1 -26 8  15 o 82.40216 2.303306 822.2708       45.90001 791.3289       64.01615 855.0084       65.84740 80.80715 3.274443 83.99716 3.240199 -3.190010      4.606611 
1 1 1 -26 8  16 o 63.76451 2.428658 495.4932       37.26073 440.0074       53.06577 549.4533       52.33119 60.21606 3.642502 67.31296 3.213362 -7.096897      4.857316 
1 1 1 -26 8  18 o 126.2965 2.836577 1934.281       82.24827 1909.755       101.1454 1982.154       141.3133 125.2837 3.336945 127.3093 4.587970 -2.025650      5.673153 
1 1 1 -26 8  19 o 69.93416 3.193148 595.8632       54.02698 595.8632       54.02698 0.000000       0.000000 69.93416 3.193148 ?        ?        ?              ?        
1 1 1 -26 8  20 o 100.9636 3.018404 1243.864       73.73003 1243.864       73.73003 0.000000       0.000000 100.9636 3.018404 ?        ?        ?              ?        
1 1 1 -26 10 1  o 164.0796 2.766950 3258.172       109.8320 3309.802       156.2107 3207.696       154.4560 165.3651 3.904492 162.7940 3.921606 2.571075       5.533901 
1 1 1 -26 10 2  o 510.1991 6.437545 31483.94       792.6936 32925.05       1171.290 30266.09       1076.745 520.9063 9.293995 499.4919 8.910086 21.41431       12.87509 
1 1 1 -26 10 3  o 238.1333 3.397722 6839.277       195.2736 6506.343       265.0524 7234.513       288.7891 231.8225 4.725784 244.4442 4.883135 -12.62170      6.795443 
1 1 1 -26 10 4  o 242.7928 3.434396 7137.064       201.7328 7085.750       284.0098 7189.317       286.5942 241.9123 4.852584 243.6734 4.861351 -1.761093      6.868793 
1 1 1 -26 10 5  o 356.0140 4.652168 15316.05       399.8347 14720.41       544.1682 16014.94       589.4450 348.5258 6.453508 363.5023 6.702454 -14.97647      9.304336 
1 1 1 -26 10 6  o 314.1905 4.178785 11959.46       317.6095 11831.62       444.9971 12092.20       453.4577 312.4814 5.886141 315.8995 5.933153 -3.418060      8.357570 
1 1 1 -26 10 7  o 145.5728 2.555523 2564.537       89.99056 2614.599       128.5871 2516.482       125.9845 146.9647 3.616447 144.1809 3.611663 2.783768       5.111047 
1 1 1 -26 10 8  o 114.1481 2.394839 1576.635       66.11316 1517.548       92.55507 1638.193       94.47061 111.9646 3.416780 116.3316 3.356579 -4.366943      4.789677 
1 1 1 -26 10 9  o 230.2371 3.289459 6418.505       183.1701 6292.738       255.0076 6552.557       263.2734 227.9104 4.624733 232.5638 4.679103 -4.653442      6.578918 
1 1 1 -26 10 10 o 103.8191 2.819331 1309.157       67.96896 1318.849       85.10509 1292.088       112.9429 104.3692 3.370396 103.2690 4.520503 1.100212       5.638662 
1 1 1 -26 10 11 o 39.84510 3.537458 191.9097       34.04751 202.6021       49.88347 182.5841       46.58634 40.88047 5.043574 38.80973 4.961531 2.070747       7.074915 
1 1 1 -26 10 12 o 66.76358 2.694183 540.3560       43.48507 559.3828       61.13920 520.8770       61.86152 67.95607 3.718683 65.57109 3.899473 2.384979       5.388367 
1 1 1 -26 10 13 o 273.2922 3.751087 9063.137       248.0006 9146.865       353.4377 8981.931       348.0753 274.5327 5.321285 272.0518 5.288340 2.480927       7.502174 
1 1 1 -26 10 14 o 61.12832 2.757881 452.9079       40.77734 445.9144       56.92183 460.2804       58.44404 60.64450 3.879584 61.61214 3.920773 -0.9676361     5.515762 
1 1 1 -26 10 15 o 22.85771 5.168081 63.63462       37.99550 101.2247       43.43052 -58.98870      78.44134 28.24475 6.491637 17.47068 8.043315 10.77407       10.33616 
1 1 1 -26 10 16 o 105.4319 2.408198 1348.441       61.39297 1286.701       85.59368 1413.859       88.10639 102.9449 3.436644 107.9189 3.374485 -4.974014      4.816396 
1 1 1 -26 10 17 o 53.04412 2.710366 342.2718       34.76344 354.9745       50.17624 330.5457       48.20863 53.98877 3.841426 52.09947 3.824627 1.889294       5.420731 
1 1 1 -26 10 18 o 54.30054 2.719760 360.8139       35.59274 348.6725       52.15364 371.3986       48.69558 53.41859 4.035430 55.18249 3.647421 -1.763893      5.439520 
1 1 1 -26 10 20 o 40.78586 4.505438 202.9979       43.09281 240.9280       72.36103 182.1535       53.64228 43.48623 6.877819 38.08549 5.821641 5.400738       9.010877 
1 1 1 -26 12 1  o 144.6006 2.662485 2528.608       93.09499 2443.731       129.1608 2620.376       134.3021 142.0781 3.757519 147.1232 3.773109 -5.045044      5.324969 
1 1 1 -26 12 2  o 433.1610 5.560921 22729.11       581.9733 23538.65       850.4106 22016.01       798.1429 440.3810 7.981745 425.9410 7.745133 14.43994       11.12184 
1 1 1 -26 12 3  o 486.2791 6.163602 28718.99       725.1075 28893.47       1031.462 28548.51       1019.555 487.7337 8.741141 484.8244 8.692088 2.909332       12.32720 
1 1 1 -26 12 4  o 452.4609 5.775786 24775.71       630.6353 25930.03       932.9631 23804.58       855.7384 462.0972 8.345048 442.8247 7.987427 19.27249       11.55157 
1 1 1 -26 12 5  o 214.1594 3.177859 5553.197       164.6175 5619.563       235.8206 5490.123       229.9007 215.4053 4.525046 212.9135 4.463082 2.491837       6.355718 
1 1 1 -26 12 6  o 57.24928 3.080712 394.2476       42.50201 445.8239       62.89396 350.8979       57.66032 60.67308 4.284603 53.82547 4.427789 6.847614       6.161423 
1 1 1 -26 12 7  o 96.56624 2.493376 1128.995       58.24955 1128.591       82.79536 1129.391       81.96551 96.54871 3.544518 96.58378 3.507718 -0.3507233E-01 4.986752 
1 1 1 -26 12 8  o 146.0338 2.616128 2578.385       92.35532 2450.458       127.9048 2717.739       133.4947 142.2545 3.716368 149.8132 3.683085 -7.558731      5.232256 
1 1 1 -26 12 9  o 104.5177 3.522005 1322.773       89.05990 0.000000       0.000000 1322.773       89.05990 ?        ?        104.5177 3.522005 ?              ?        
1 1 1 -26 12 10 o 76.74403 2.695823 712.3020       49.87342 631.9077       69.09266 799.7610       72.06449 72.22592 3.953999 81.26213 3.665480 -9.036209      5.391646 
1 1 1 -26 12 11 o 135.6749 3.615705 2229.626       118.6848 0.000000       0.000000 2229.626       118.6848 ?        ?        135.6749 3.615705 ?              ?        
1 1 1 -26 12 12 o 148.5759 3.812686 2674.900       137.0508 0.000000       0.000000 2674.900       137.0508 ?        ?        148.5759 3.812686 ?              ?        
1 1 1 -26 12 13 o 171.3145 2.812133 3557.418       116.5329 3643.207       166.6609 3475.352       163.0046 173.3349 3.974161 169.2942 3.979749 4.040710       5.624266 
1 1 1 -26 12 14 o 103.3481 2.530396 1293.554       63.22205 1236.979       87.50191 1355.346       91.44752 100.9872 3.581367 105.7091 3.575670 -4.721855      5.060791 
1 1 1 -26 12 15 o 84.08221 3.220351 863.3747       60.53313 852.5878       108.4911 868.2508       72.94281 83.60141 5.363867 84.56303 3.565329 -0.9616165     6.440702 
1 1 1 -26 12 16 o 89.34309 2.536637 971.0884       54.75771 966.2085       79.40170 975.5139       75.61518 89.11595 3.682748 89.57022 3.489338 -0.4542694     5.073275 
1 1 1 -26 12 17 o 46.05364 3.447455 254.8522       38.01972 307.3983       58.62216 216.7039       49.94921 50.07325 4.838979 42.03403 4.911627 8.039223       6.894911 
1 1 1 -26 12 18 o 44.24932 3.476283 244.6488       36.52324 218.9150       55.42685 264.3978       48.55580 42.07310 5.445195 46.42554 4.322967 -4.352440      6.952567 
1 1 1 -26 12 19 o 24.90784 5.123799 80.47606       32.63461 86.52280       48.47712 75.46452       44.13281 25.70238 7.396996 24.11329 7.092089 1.589083       10.24760 
1 1 1 -26 12 20 o 55.28046 3.369119 388.5513       42.26665 357.7632       72.00533 404.7364       52.20736 53.26665 5.587364 57.29428 3.766328 -4.027634      6.738239 
1 1 1 -26 14 1  o 205.4106 3.128969 5101.388       155.3049 5299.547       226.6479 4925.991       213.2339 209.1604 4.478884 201.6608 4.370514 7.499634       6.257939 
1 1 1 -26 14 2  o 314.6208 4.218425 12001.70       321.0651 11872.39       450.0250 12135.75       458.1945 312.8979 5.944724 316.3438 5.986710 -3.445923      8.436851 
1 1 1 -26 14 3  o 165.5199 2.811917 3304.774       112.3784 3100.108       153.2435 3542.893       165.2939 159.9982 3.958809 171.0415 3.994414 -11.04327      5.623834 
1 1 1 -26 14 4  o 290.3384 3.957808 10206.45       277.7611 10529.34       403.3687 9915.287       383.0459 294.6925 5.657581 285.9843 5.536130 8.708221       7.915615 
1 1 1 -26 14 5  o 173.6447 2.868101 3652.068       120.4867 3616.422       170.5223 3687.607       170.2658 172.7973 4.078888 174.4920 4.033197 -1.694733      5.736202 
1 1 1 -26 14 6  o 291.0530 3.962080 10258.72       278.7455 9965.118       384.4022 10584.31       404.7994 286.6747 5.542353 295.4314 5.663448 -8.756683      7.924160 
1 1 1 -26 14 7  o 93.37577 2.628707 1055.887       59.38422 1049.920       83.68240 1061.940       84.28477 93.11010 3.714796 93.64144 3.720307 -0.5313416     5.257413 
1 1 1 -26 14 8  o 111.6974 2.593976 1510.574       70.08763 1547.240       100.0275 1475.210       98.23461 113.0289 3.657862 110.3659 3.678981 2.663078       5.187953 
1 1 1 -26 14 9  o 125.6267 2.581805 1910.893       78.45665 1952.365       112.2075 1871.222       109.7425 126.9598 3.653031 124.2937 3.649416 2.666153       5.163610 
1 1 1 -26 14 10 o 292.8595 3.988060 10406.51       282.4955 10569.44       405.1336 10252.32       394.1122 295.0836 5.674805 290.6353 5.604917 4.448242       7.976121 
1 1 1 -26 14 11 o 138.7231 2.689509 2331.721       90.22475 2431.172       128.5980 2235.309       126.6191 141.6390 3.752744 135.8072 3.853667 5.831833       5.379018 
1 1 1 -26 14 12 o 29.07239 5.402244 106.5999       38.44284 113.7968       56.27616 100.3032       52.63873 29.96236 7.716476 28.18242 7.562603 1.779932       10.80449 
1 1 1 -26 14 13 o 75.99400 2.885414 700.7003       53.03071 727.4456       75.99177 675.3112       74.03983 77.40822 4.057674 74.57980 4.103382 2.828423       5.770829 
1 1 1 -26 14 14 o 48.94432 3.648429 291.8330       43.15649 297.6133       62.73585 286.6405       59.46076 49.39716 5.249421 48.49147 5.068305 0.9056892      7.296858 
1 1 1 -26 14 15 o 77.83958 2.826838 737.0282       53.20047 774.1979       76.63892 702.4594       73.90897 79.73473 3.972826 75.94444 4.022526 3.790298       5.653677 
1 1 1 -26 14 16 o 28.53411 5.582344 103.7505       39.37283 114.0455       61.50306 96.60149       51.25152 29.68327 8.261104 27.38495 7.510286 2.298315       11.16469 
1 1 1 -26 14 17 o 22.62686 5.642826 49.85122       39.01997 90.35786       62.11279 23.44345       50.15147 26.74549 8.520447 18.50823 7.400536 8.237265       11.28565 
1 1 1 -26 14 18 o 22.35522 5.683578 52.43711       38.35372 76.10809       62.87669 38.41068       48.40109 24.98392 8.595766 19.72652 7.438078 5.257404       11.36716 
1 1 1 -26 14 19 o 43.22245 4.009531 231.7468       41.34304 255.6402       65.19840 215.6783       53.46715 44.95900 5.994018 41.48590 5.327018 3.473091       8.019063 
1 1 1 -26 14 20 o 26.85273 6.691849 62.04037       55.13033 183.2243       98.77362 7.205235       66.44280 35.02718 10.68354 18.67828 8.061347 16.34890       13.38370 
1 1 1 -26 16 1  o 176.9141 2.949832 3788.683       126.2075 3668.111       175.6120 3917.480       181.5024 174.0054 4.171472 179.8228 4.171914 -5.817429      5.899664 
1 1 1 -26 16 2  o 112.8055 2.760269 1540.190       75.28107 1570.399       108.8830 1512.525       104.1984 113.8626 3.952547 111.7484 3.854052 2.114151       5.520538 
1 1 1 -26 16 3  o 238.3416 3.452543 6884.722       199.0652 6957.895       284.0461 6814.094       279.0616 239.5842 4.900365 237.0990 4.864835 2.485184       6.905085 
1 1 1 -26 16 4  o 55.11600 3.560034 368.3658       47.46079 361.6173       67.38713 375.0081       66.85542 54.61342 5.100060 55.61859 4.968375 -1.005169      7.120068 
1 1 1 -26 16 5  o 146.7931 2.759705 2609.284       97.98992 2539.459       137.2256 2681.932       139.9726 144.7892 3.917387 148.7969 3.888182 -4.007690      5.519410 
1 1 1 -26 16 6  o 157.5206 2.812116 2999.841       107.0495 3141.434       155.9541 2873.688       147.2061 161.0265 4.003106 154.0146 3.950586 7.011932       5.624232 
1 1 1 -26 16 7  o 152.1894 2.807143 2803.182       103.3026 2921.924       148.8645 2692.893       143.4687 155.2951 3.962152 149.0837 3.977633 6.211395       5.614286 
1 1 1 -26 16 8  o 236.4417 3.431438 6775.147       196.2066 6948.774       282.6273 6613.621       272.6004 239.3602 4.880451 233.5233 4.824962 5.836884       6.862875 
1 1 1 -26 16 9  o 171.6382 2.897570 3571.014       120.3199 3607.251       170.8308 3535.342       169.4931 172.5026 4.093250 170.7737 4.102311 1.728867       5.795140 
1 1 1 -26 16 10 o 164.3702 2.863199 3276.186       113.8563 3312.745       161.9196 3240.431       160.1295 165.2772 4.049340 163.4633 4.049009 1.813843       5.726397 
1 1 1 -26 16 11 f 40.68971 6.333780 201.8423       62.35193 0.000000       0.000000 201.8423       62.35193 ?        ?        40.68971 6.333780 ?              ?        
1 1 1 -26 16 12 o 20.18288 5.676353 26.44909       41.28676 28.46731       62.10440 24.85073       55.26825 20.78524 8.259758 19.58052 7.788475 1.204718       11.35271 
1 1 1 -26 16 13 o 132.7665 2.712517 2139.170       86.99117 2205.239       127.3497 2081.373       119.1112 134.6726 3.908556 130.8604 3.762204 3.812271       5.425034 
1 1 1 -26 16 14 f 28.17940 5.903618 101.1667       44.28168 69.99166       65.60877 127.2501       60.01228 24.96601 8.769614 31.39279 7.905992 -6.426777      11.80724 
1 1 1 -26 16 15 o 26.57643 5.812451 87.60686       42.67285 55.06609       61.19394 118.4095       59.53720 22.96461 8.418387 30.18825 8.016803 -7.223644      11.62490 
1 1 1 -26 16 16 o 28.73730 5.591671 85.69410       43.43378 190.5929       72.41117 26.74332       54.28315 38.12898 8.099592 19.34562 7.711275 18.78336       11.18334 
1 1 1 -26 16 17 o 33.31029 5.797196 148.6684       45.69833 142.6904       73.18321 152.4892       58.50698 32.56364 8.992622 34.05693 7.318653 -1.493290      11.59439 
1 1 1 -26 16 18 o 82.16367 3.069190 834.7377       60.26780 842.5116       92.87106 829.0824       79.21228 82.34949 4.661409 81.97786 3.993867 0.3716278      6.138380 
1 1 1 -26 16 19 o 38.65660 5.378227 185.0846       49.26346 335.7172       80.43708 94.66971       62.31846 50.91745 6.529612 26.39574 8.547835 24.52172       10.75645 
1 1 1 -26 16 20 o 32.33698 7.765274 164.3886       70.19012 168.5901       123.9073 162.4033       85.17387 32.18287 11.94686 32.49109 9.923228 -0.3082275     15.53055 
1 1 1 -26 18 1  o 164.7706 2.945281 3290.265       117.4055 3335.119       166.7081 3246.126       165.3728 165.8855 4.153804 163.6556 4.176676 2.229889       5.890562 
1 1 1 -26 18 2  o 152.2557 4.105847 2809.408       151.2442 0.000000       0.000000 2809.408       151.2442 ?        ?        152.2557 4.105847 ?              ?        
1 1 1 -26 18 3  o 76.76358 3.220133 712.9183       59.70848 772.2099       86.48725 658.9249       82.53260 79.80939 4.479152 73.71777 4.627550 6.091629       6.440265 
1 1 1 -26 18 4  f 119.8033 2.801668 1739.358       81.18853 1692.343       114.4745 1786.942       115.1644 118.1721 4.003979 121.4345 3.919889 -3.262466      5.603336 
1 1 1 -26 18 5  o 121.1649 2.797333 1778.992       81.99166 1740.035       115.2719 1818.885       116.6478 119.8213 3.976372 122.5084 3.935577 -2.687103      5.594667 
1 1 1 -26 18 6  o 88.03433 2.991391 938.9547       63.64114 1003.306       91.29053 878.1122       88.76685 90.97048 4.147849 85.09818 4.311499 5.872307       5.982781 
1 1 1 -26 18 7  o 164.3217 3.455772 3313.213       132.3074 3417.055       167.5107 3140.988       215.7278 167.8633 4.124625 160.7802 5.545891 7.083145       6.911544 
1 1 1 -26 18 8  o 172.6892 2.935561 3609.568       122.5015 3811.927       178.4748 3429.312       168.4464 177.2534 4.161787 168.1250 4.141210 9.128494       5.871123 
1 1 1 -26 18 9  o 184.3227 3.006118 4119.644       133.9671 4281.345       193.7460 3971.506       185.4429 187.7818 4.264586 180.8636 4.237958 6.918289       6.012237 
1 1 1 -26 18 10 o 93.12256 2.883037 1053.146       64.94437 1027.714       91.38449 1079.098       92.31297 91.98410 4.106364 94.26102 4.047886 -2.276924      5.766074 
1 1 1 -26 18 11 o 59.76628 3.584683 432.3010       51.58792 495.6593       76.45639 379.3480       69.89679 63.76674 4.955840 55.76581 5.180681 8.000931       7.169366 
1 1 1 -26 18 12 o 124.3211 2.792524 1865.307       83.63017 2082.742       125.2691 1690.476       112.3281 130.7991 3.958558 117.8432 3.939869 12.95589       5.585047 
1 1 1 -26 18 13 o 27.95344 5.969347 88.68107       46.18478 152.8922       71.02912 41.64819       60.78998 34.25474 8.587025 21.65214 8.294301 12.60260       11.93869 
1 1 1 -26 18 14 o 27.60145 6.305860 94.35266       47.80085 104.9754       71.65317 85.83389       64.16605 28.79650 9.149071 26.40640 8.680437 2.390106       12.61172 
1 1 1 -26 18 15 o 64.70938 3.723638 508.9155       57.57858 636.4753       87.34550 410.8850       76.57098 71.82195 5.026678 57.59681 5.494947 14.22514       7.447277 
1 1 1 -26 18 16 o 47.58168 4.590736 289.1228       51.83775 262.3475       79.02441 309.3464       68.67876 45.40232 7.194175 49.76105 5.704671 -4.358730      9.181472 
1 1 1 -26 18 17 o 111.3388 4.163091 1532.980       112.1410 1532.980       112.1410 0.000000       0.000000 111.3388 4.163091 ?        ?        ?              ?        
1 1 1 -26 18 18 f 80.09292 3.404045 806.3482       64.88683 805.4993       101.0865 806.9431       84.62102 79.78135 5.237082 80.40449 4.350064 -0.6231384     6.808090 
1 1 1 -26 18 19 o 21.62068 6.166060 40.30735       53.60368 -25.63229      85.62559 82.80433       68.73997 18.56302 8.493330 24.67834 8.941170 -6.115316      12.33212 
1 1 1 -26 18 20 o 23.17324 7.270327 35.65106       74.70477 109.4349       135.7632 3.608566       89.46736 26.77698 11.54002 19.56951 8.846385 7.207464       14.54065 
1 1 1 -26 20 1  o 100.8155 2.915131 1234.464       71.00000 1157.644       100.3829 1311.364       100.4354 97.66446 4.248356 103.9666 3.992921 -6.302170      5.830261 
1 1 1 -26 20 2  f 273.4380 3.835217 9076.635       253.3981 8793.563       347.9192 9396.429       369.7987 268.9256 5.347416 277.9503 5.499154 -9.024719      7.670434 
1 1 1 -26 20 3  f 128.9081 2.847848 2014.811       88.78060 1972.512       123.3945 2060.208       127.8325 127.5089 3.999937 130.3073 4.054808 -2.798401      5.695697 
1 1 1 -26 20 4  o 111.4962 2.852024 1507.602       76.88901 1486.050       106.6392 1530.938       110.9647 110.6709 3.982730 112.3214 4.083384 -1.650475      5.704048 
1 1 1 -26 20 5  o 108.3827 2.822525 1423.691       73.94538 1510.715       106.5498 1342.833       102.7053 111.5775 3.947058 105.1878 4.035757 6.389671       5.645051 
1 1 1 -26 20 6  f 157.4968 2.885076 3011.511       109.9284 3008.946       154.6687 3014.131       156.2681 157.4317 4.060767 157.5619 4.099368 -0.1301727     5.770152 
1 1 1 -26 20 7  o 77.28058 3.245477 728.8938       60.43835 683.8093       87.64867 769.7635       83.45119 74.97231 4.832170 79.58884 4.333891 -4.616539      6.490954 
1 1 1 -26 20 8  o 159.9563 2.908404 3046.272       111.3477 3590.144       173.3980 2664.628       145.2528 171.8453 4.170653 148.0673 4.054739 23.77797       5.816808 
1 1 1 -26 20 9  o 204.5702 3.195865 5075.378       157.7580 5415.642       233.6953 4790.496       213.8325 210.8213 4.581768 198.3190 4.456636 12.50230       6.391729 
1 1 1 -26 20 10 o 62.54239 3.702996 475.1269       55.80465 536.9563       82.80553 423.6795       75.53412 66.25233 5.166017 58.83245 5.306693 7.419888       7.405992 
1 1 1 -26 20 11 o 68.11859 3.613864 566.3036       59.41307 622.5332       87.13803 517.4532       81.21938 71.27477 5.053237 64.96243 5.167675 6.312340       7.227729 
1 1 1 -26 20 12 o 24.93194 6.141447 67.56361       47.89700 26.27548       69.50025 104.9114       66.10071 21.21636 8.630113 28.64752 8.740174 -7.431160      12.28289 
1 1 1 -26 20 13 o 157.2343 2.953019 3022.613       112.1806 3143.901       163.9773 2915.905       153.8055 160.1668 4.231642 154.3018 4.120012 5.865005       5.906039 
1 1 1 -26 20 14 f 27.52765 6.554185 94.40946       51.37720 103.0938       77.53675 87.61201       68.59823 28.50324 9.548498 26.55205 8.980844 1.951193       13.10837 
1 1 1 -26 20 15 o 69.35749 5.031695 598.3760       84.43257 0.000000       0.000000 598.3760       84.43257 ?        ?        69.35749 5.031695 ?              ?        
1 1 1 -26 20 16 o 96.52714 4.275661 1155.942       99.85160 0.000000       0.000000 1155.942       99.85160 ?        ?        96.52714 4.275661 ?              ?        
1 1 1 -26 20 17 o 31.41982 6.926678 143.7139       58.38870 151.0048       82.90259 136.5375       82.24947 32.14231 9.784107 30.69733 9.807483 1.444973       13.85336 
1 1 1 -26 20 18 o 36.72111 6.706520 201.1183       61.40969 277.4619       92.57310 141.1214       82.06599 43.17047 9.147604 30.27174 9.809739 12.89873       13.41304 
1 1 1 -26 22 1  o 145.6946 4.080448 2581.669       143.8314 2581.669       143.8314 0.000000       0.000000 145.6946 4.080448 ?        ?        ?              ?        
1 1 1 -26 22 2  o 73.42188 3.293168 654.7704       58.27430 677.1323       86.86190 636.4679       78.58321 74.54099 4.816504 72.30275 4.492341 2.238243       6.586337 
1 1 1 -26 22 3  o 140.7025 2.874119 2395.284       97.58593 2616.466       144.0222 2207.544       132.6882 146.6779 4.058472 134.7271 4.070755 11.95082       5.748238 
1 1 1 -26 22 4  o 54.70410 6.029224 366.4560       79.79646 366.4560       79.79646 0.000000       0.000000 54.70410 6.029224 ?        ?        ?              ?        
1 1 1 -26 22 5  o 81.49884 3.197860 802.1909       62.72860 923.6123       93.48951 702.7659       84.59861 87.06899 4.438099 75.92868 4.605270 11.14031       6.395720 
1 1 1 -26 22 6  o 24.24978 6.196012 49.77100       47.46779 102.9453       76.30405 16.20193       60.62702 29.05295 9.461835 19.44661 8.002247 9.606340       12.39202 
1 1 1 -26 22 7  f 111.0114 2.963528 1501.340       79.29488 1514.426       117.5592 1490.417       107.4070 111.4193 4.361077 110.6035 4.013851 0.8158112      5.927056 
1 1 1 -26 22 8  o 52.16533 4.616212 335.7948       58.17692 343.6611       84.94062 328.8440       79.84480 52.71791 6.659704 51.61275 6.394216 1.105160       9.232425 
1 1 1 -26 22 9  o 44.62415 5.194025 250.4276       54.68937 282.3988       80.11800 222.5325       74.83670 47.66497 6.947498 41.58332 7.722943 6.081654       10.38805 
1 1 1 -26 22 10 o 85.07776 3.228499 887.2181       66.34177 957.7963       94.89058 819.7336       92.78761 88.41863 4.435852 81.73689 4.692125 6.681740       6.456997 
1 1 1 -26 22 11 o 45.16848 5.328364 265.3161       55.70755 209.9556       80.11938 317.1295       77.51015 39.89544 8.557209 50.44151 6.351380 -10.54607      10.65673 
1 1 1 -26 22 12 o 111.2852 3.022956 1506.099       80.93969 1695.256       122.4030 1359.120       107.8965 117.4132 4.308961 105.1572 4.240979 12.25605       6.045912 
1 1 1 -26 22 13 o 21.14358 6.260999 16.69422       53.09414 41.80448       83.66559 -0.2362891     68.69994 23.42389 9.490375 18.86327 8.169040 4.560617       12.52200 
1 1 1 -26 22 14 o 21.24645 6.281908 15.12633       56.56523 -34.03246      82.76999 58.20470       77.48220 18.54804 8.433790 23.94485 9.312391 -5.396811      12.56382 
1 1 1 -26 22 15 o 27.18987 6.775607 97.81744       55.21389 103.7737       82.26254 92.93435       74.48410 27.82067 9.815392 26.55907 9.343096 1.261600       13.55121 
1 1 1 -26 22 16 o 63.83179 4.210874 529.7290       64.92219 516.6434       93.69031 541.8164       90.04579 62.92371 6.154292 64.73988 5.748960 -1.816166      8.421748 
1 1 1 -26 22 17 o 73.72104 4.380373 728.0270       78.00211 708.1273       112.3068 746.5729       108.4192 72.50559 6.402245 74.93649 5.980127 -2.430893      8.760746 
1 1 1 -26 24 1  o 46.52151 4.779473 265.3888       53.40431 295.6720       81.76809 242.8619       70.52354 48.77822 6.928762 44.26482 6.585264 4.513401       9.558946 
1 1 1 -26 24 2  o 122.9790 2.930269 1844.157       87.08009 1906.693       126.9783 1788.633       119.6480 124.9277 4.201153 121.0303 4.086100 3.897354       5.860538 
1 1 1 -26 24 3  o 90.77238 3.118332 998.4684       68.15162 1108.998       102.6513 911.3480       91.13507 95.21275 4.456223 86.33201 4.363263 8.880737       6.236665 
1 1 1 -26 24 4  o 58.80084 4.043773 422.3033       56.29903 445.1318       90.31947 407.7972       71.99758 59.98703 6.223315 57.61465 5.165147 2.372375       8.087545 
1 1 1 -26 24 5  o 61.00176 4.017682 461.2546       58.66195 441.8469       88.58406 476.4130       78.28783 59.75747 6.127187 62.24606 5.198524 -2.488590      8.035364 
1 1 1 -26 24 6  o 58.34496 4.140617 420.5001       57.88511 423.9542       88.30041 417.8970       76.65339 58.46862 6.242198 58.22131 5.441857 0.2473145      8.281234 
1 1 1 -26 24 7  o 55.34541 4.471097 370.6581       58.93980 441.7966       94.00146 324.5725       75.65971 59.55507 6.523994 51.13574 6.115582 8.419334       8.942195 
1 1 1 -26 24 8  o 30.13376 8.035024 53.34299       95.98522 197.3825       127.7341 -133.4920      145.4773 38.15924 12.22529 22.10828 10.43018 16.05096       16.07005 
1 1 1 -26 24 9  o 76.10817 3.631250 716.5157       66.81803 719.9120       96.37833 713.3726       92.71787 76.25225 5.224256 75.96409 5.044903 0.2881622      7.262499 
1 1 1 -26 24 10 o 44.80736 5.836999 277.0432       59.42078 197.2247       91.18945 335.9447       78.33508 37.90619 9.852586 51.70853 6.261693 -13.80234      11.67400 
1 1 1 -26 24 11 o 106.2440 3.241232 1381.453       82.76639 1551.873       126.1609 1252.687       109.6639 111.8852 4.660689 100.6028 4.505588 11.28239       6.482464 
1 1 1 -26 24 12 o 95.80994 3.346192 1144.476       77.50568 1178.379       108.7303 1109.454       110.5106 97.31994 4.617919 94.29994 4.843843 3.019997       6.692383 
1 1 1 -26 24 13 o 78.31029 3.937439 776.6504       74.46928 842.7212       108.1589 717.0978       102.6851 81.52473 5.483659 75.09586 5.651832 6.428871       7.874879 
1 1 1 -26 24 14 o 71.70736 3.987864 660.8669       69.15060 674.1636       99.67711 648.5298       96.01322 72.36139 5.693591 71.05333 5.585271 1.308060       7.975727 
1 1 1 -26 24 15 o 28.21589 6.986218 109.3020       69.00769 199.9777       92.81218 -2.795207      103.1946 35.42166 10.24692 21.01011 9.498929 14.41154       13.97244 
1 1 1 -26 24 16 o 64.58061 5.158717 588.8671       79.38223 471.1383       107.9716 727.3710       117.1114 56.83482 7.852227 72.32641 6.692679 -15.49158      10.31743 
1 1 1 -26 26 1  o 36.08485 6.113461 185.9378       56.73240 84.03211       90.60726 251.6526       72.76048 27.45230 10.21112 44.71739 6.725379 -17.26509      12.22692 
1 1 1 -26 26 2  o 100.6586 4.255978 1245.289       103.6460 0.000000       0.000000 1245.289       103.6460 ?        ?        100.6586 4.255978 ?              ?        
1 1 1 -26 26 3  o 29.84494 6.309642 116.7595       56.49601 16.31033       88.93406 184.7225       73.15289 22.40348 9.487776 37.28639 8.320363 -14.88291      12.61928 
1 1 1 -26 26 4  o 119.7627 3.046791 1763.833       88.21864 1782.892       127.4527 1746.303       122.2310 120.3516 4.377186 119.1739 4.239337 1.177696       6.093582 
1 1 1 -26 26 5  o 67.29803 4.024897 545.8764       64.18333 730.7263       100.8247 419.9297       83.22440 76.64568 5.437221 57.95037 5.935976 18.69531       8.049794 
1 1 1 -26 26 6  o 30.67658 6.764589 102.5291       58.75004 210.3864       96.35442 38.70228       74.12223 39.00245 10.12302 22.35072 8.975693 16.65173       13.52918 
1 1 1 -26 26 7  o 43.25425 6.007291 252.1582       60.70424 221.5187       92.31173 275.5031       80.57726 40.07999 9.638070 46.42850 7.173408 -6.348511      12.01458 
1 1 1 -26 26 8  o 77.16705 3.793232 736.6572       68.95979 993.5174       103.4571 531.2932       92.50684 89.40318 4.783050 64.93092 5.888708 24.47226       7.586465 
1 1 1 -26 26 9  o 29.57719 6.561185 114.4573       57.55474 41.94418       83.27605 180.7688       79.63535 23.11957 9.430313 36.03481 9.125009 -12.91524      13.12237 
1 1 1 -26 26 10 o 23.08997 6.578020 41.90540       59.06833 -7.468683      88.71995 81.21694       79.16474 20.40729 9.045684 25.77265 9.552852 -5.365364      13.15604 
1 1 1 -26 26 11 o 60.60384 4.868465 481.5116       71.13728 484.8537       105.0503 478.6810       96.67706 60.60254 7.164804 60.60513 6.593435 -0.2593994E-02 9.736930 
1 1 1 -26 26 12 o 38.09324 6.946132 218.5173       67.27967 141.7169       93.24378 301.9274       97.17348 30.61059 10.47000 45.57588 9.130938 -14.96529      13.89226 
1 1 1 -26 26 13 o 63.83975 4.841933 556.6281       73.71690 577.0724       98.01506 530.0035       111.8530 65.87380 6.150038 61.80570 7.480259 4.068100       9.683866 
1 1 1 -26 26 14 o 77.55522 4.251103 805.8160       79.30047 707.2673       106.2606 929.6937       119.1361 72.15827 6.086728 82.95218 5.936267 -10.79391      8.502207 
1 1 1 -26 28 5  o 36.64034 9.205667 205.8838       103.0743 226.1749       139.9077 181.7965       152.4346 38.16044 12.82611 35.12024 13.20863 3.040203       18.41133 
1 1 1 -26 28 6  o 25.73770 8.069236 -60.54296      108.4675 -223.6764      146.5738 136.9423       161.2695 19.03384 9.334730 32.44157 13.16484 -13.40773      16.13847 
1 1 1 -26 28 7  o 44.72366 9.131534 332.0918       106.5067 381.3207       143.2021 271.1481       159.3321 49.33154 12.09207 40.11578 13.68655 9.215763       18.26307 
1 1 1 -26 28 8  o 20.49777 7.102396 -206.5424      104.9928 -274.3605      128.7738 -72.06425      181.3346 16.24475 8.102783 24.75080 11.66709 -8.506054      14.20479 
1 1 1 -26 28 9  o 93.28001 5.772578 1197.138       128.1308 1142.891       165.7020 1277.811       202.0708 91.65744 7.472359 94.90259 8.800821 -3.245148      11.54516 
1 1 1 -26 28 10 o 27.18097 8.505590 76.59621       109.9712 87.68590       143.2446 60.67817       171.6181 27.24637 11.79770 27.11556 12.25539 0.1308079      17.01118 
1 1 1 -26 28 11 o 33.13398 9.593741 206.7781       115.4036 140.5116       139.9008 347.8881       204.1513 28.78224 12.02669 37.48573 14.95053 -8.703489      19.18748 
1 1 1 -25 1  1  f 161.2900 2.589857 3147.326       101.0579 3129.780       142.1925 3165.235       143.6536 160.8359 3.654191 161.7442 3.671010 -0.9082947     5.179713 
1 1 1 -25 1  2  o 372.4243 4.818814 16710.04       432.6669 17692.49       645.4282 15908.23       583.0781 382.3140 6.977911 362.5345 6.647755 19.77945       9.637629 
1 1 1 -25 1  3  o 106.7253 3.093712 1378.038       79.88210 0.000000       0.000000 1378.038       79.88210 ?        ?        106.7253 3.093712 ?              ?        
1 1 1 -25 1  4  o 790.8837 9.755231 75851.39       1866.541 75493.01       2626.629 76216.98       2652.943 789.0018 13.76000 792.7657 13.83187 -3.763916      19.51046 
1 1 1 -25 1  5  o 338.9481 5.202674 13278.94       349.0468 12843.66       390.3621 15014.87       779.5671 325.7882 4.952562 352.1081 9.151141 -26.31985      10.40535 
1 1 1 -25 1  6  o 320.8529 4.803727 12833.82       337.5984 13385.89       404.6951 11570.49       612.1952 332.5877 5.029438 309.1182 8.185837 23.46954       9.607454 
1 1 1 -25 1  7  f 186.0204 3.217207 4343.733       130.0342 4566.019       155.4222 3825.104       237.4030 194.2642 3.306876 177.7765 5.519624 16.48769       6.434413 
1 1 1 -25 1  8  o 254.0753 3.998338 7991.079       219.1288 8217.820       259.0401 7420.583       410.8921 260.5953 4.108639 247.5554 6.860459 13.03998       7.996675 
1 1 1 -25 1  9  o 293.0158 4.517169 10419.01       278.0162 10439.20       321.6098 10359.31       553.0292 293.6703 4.526546 292.3612 7.818546 1.309082       9.034339 
1 1 1 -25 1  10 o 503.6048 6.344785 30787.41       773.0505 30749.19       1091.725 30825.84       1094.799 503.2927 8.965823 503.9169 8.979933 -0.6242065     12.68957 
1 1 1 -25 1  11 o 278.5560 3.757297 9396.866       253.1378 9561.578       363.5149 9241.799       352.7114 280.9220 5.348527 276.1901 5.278482 4.731873       7.514594 
1 1 1 -25 1  12 o 45.12512 2.336133 247.2932       25.20997 296.7394       36.23856 200.9222       35.09356 49.51287 3.025175 40.73737 3.560673 8.775497       4.672267 
1 1 1 -25 1  13 o 83.63143 2.096722 846.6545       42.42369 841.3179       59.90821 852.0225       60.08448 83.36699 2.970229 83.89587 2.960189 -0.5288849     4.193444 
1 1 1 -25 1  14 o 253.8491 3.504515 7784.263       214.7090 7427.853       291.5196 8206.817       317.4198 247.5314 4.867827 260.1668 5.042892 -12.63547      7.009030 
1 1 1 -25 1  15 o 228.0717 4.612320 6306.953       254.5031 6306.953       254.5031 0.000000       0.000000 228.0717 4.612320 ?        ?        ?              ?        
1 1 1 -25 3  1  o 462.2271 6.719215 26149.96       662.3765 26464.05       774.4816 25294.47       1278.192 467.5822 6.846220 456.8720 11.56377 10.71024       13.43843 
1 1 1 -25 3  2  o 594.2628 8.599625 42393.41       1056.567 42020.35       1209.739 43593.10       2169.394 589.0992 8.487916 599.4263 14.95893 -10.32703      17.19925 
1 1 1 -25 3  3  o 401.3904 5.934053 19546.74       501.2107 19586.89       580.3444 19428.91       994.2624 402.2952 5.962642 400.4856 10.26152 1.809601       11.86811 
1 1 1 -25 3  4  f 318.5665 4.809376 12507.59       329.4254 12783.91       388.0131 11794.17       623.4592 325.0305 4.934237 312.1025 8.256738 12.92804       9.618752 
1 1 1 -25 3  5  o 1013.139 14.38581 125181.4       3063.888 125470.9       3547.171 124330.8       6080.210 1016.932 14.41743 1009.346 24.89868 7.586304       28.77163 
1 1 1 -25 3  6  o 443.6547 6.476243 24012.64       608.4238 24198.83       707.8575 23486.02       1190.450 447.1122 6.543754 440.1972 11.17793 6.915070       12.95249 
1 1 1 -25 3  7  o 121.1270 2.822945 1807.063       78.30047 1879.624       97.33643 1674.004       131.8088 124.6403 3.227860 117.6137 4.632169 7.026627       5.645889 
1 1 1 -25 3  8  o 592.3552 8.658168 41495.24       1034.409 40636.40       1168.574 44604.40       2223.430 579.1176 8.340408 605.5929 15.17541 -26.47528      17.31634 
1 1 1 -25 3  9  o 154.6359 2.934886 2795.136       92.37548 2715.334       104.5522 3079.120       197.2294 149.8005 2.884811 159.4712 5.111956 -9.670685      5.869772 
1 1 1 -25 3  10 o 273.5141 4.317545 8863.009       240.7392 8695.646       273.2647 9443.188       508.7859 268.0000 4.214504 279.0282 7.536759 -11.02823      8.635091 
1 1 1 -25 3  11 o 62.20075 2.521707 447.8941       32.51947 429.9928       37.01966 508.3879       68.05273 59.60899 2.566956 64.79252 4.341286 -5.183533      5.043414 
1 1 1 -25 3  12 o 365.7985 5.464194 16424.11       424.7449 16615.52       495.6913 15895.30       823.9060 370.2192 5.534138 361.3779 9.423534 8.841339       10.92839 
1 1 1 -25 3  13 o 113.9986 2.242332 1565.578       61.69017 1695.784       91.13942 1455.480       83.80721 118.3511 3.182962 109.6460 3.159265 8.705101       4.484663 
1 1 1 -25 3  14 o 216.8298 3.116829 5694.651       163.4542 5577.467       227.6682 5819.309       234.8157 214.5309 4.386420 219.1287 4.429201 -4.597855      6.233659 
1 1 1 -25 3  15 o 110.5680 3.120481 1480.507       83.47437 1480.507       83.47437 0.000000       0.000000 110.5680 3.120481 ?        ?        ?              ?        
1 1 1 -25 3  16 o 40.73372 2.847673 200.9750       28.06381 200.9750       28.06381 0.000000       0.000000 40.73372 2.847673 ?        ?        ?              ?        
1 1 1 -25 5  1  o 501.0715 6.306679 30315.17       762.7469 31681.26       1126.209 29157.57       1036.714 511.4569 9.101387 490.6862 8.732787 20.77069       12.61336 
1 1 1 -25 5  2  o 780.1718 9.636780 73807.89       1818.661 73061.12       2544.239 74588.15       2600.640 776.1491 13.54910 784.1945 13.70737 -8.045349      19.27356 
1 1 1 -25 5  3  o 207.3212 4.286920 5200.841       215.0262 5200.841       215.0262 0.000000       0.000000 207.3212 4.286920 ?        ?        ?              ?        
1 1 1 -25 5  4  o 729.2648 9.021190 64418.84       1590.224 62924.71       2193.626 66073.71       2308.610 720.3858 12.58621 738.1437 12.92729 -17.75787      18.04238 
1 1 1 -25 5  5  o 362.9716 4.705155 15927.96       412.8027 15498.98       569.0532 16404.45       599.7370 357.8227 6.573288 368.1204 6.733931 -10.29770      9.410311 
1 1 1 -25 5  6  o 679.2537 8.428051 55909.83       1384.111 57138.12       2001.859 54784.84       1915.832 686.3757 12.05505 672.1318 11.78150 14.24390       16.85610 
1 1 1 -25 5  7  o 523.8732 6.574700 33251.66       833.1236 33670.18       1193.321 32853.69       1163.668 527.0819 9.357863 520.6644 9.237809 6.417542       13.14940 
1 1 1 -25 5  8  o 455.4836 5.775624 25134.58       636.2081 24719.15       884.7334 25579.42       915.5247 451.5960 8.097669 459.3712 8.237664 -7.775116      11.55125 
1 1 1 -25 5  9  o 141.7700 3.434619 2432.500       117.8054 0.000000       0.000000 2432.500       117.8054 ?        ?        141.7700 3.434619 ?              ?        
1 1 1 -25 5  10 o 111.7888 2.265599 1512.409       61.26840 1544.010       87.02731 1481.355       86.27084 112.9468 3.184778 110.6308 3.223189 2.316063       4.531199 
1 1 1 -25 5  11 o 151.6170 2.523662 2782.594       92.56362 2752.887       129.8170 2813.317       132.0203 150.7943 3.558314 152.4397 3.579648 -1.645355      5.047324 
1 1 1 -25 5  12 o 95.25406 3.123111 1098.378       71.97358 0.000000       0.000000 1098.378       71.97358 ?        ?        95.25406 3.123111 ?              ?        
1 1 1 -25 5  13 o 44.44833 3.394075 247.9716       29.79160 254.6148       33.78484 224.7472       63.16916 45.86017 3.044976 43.03650 6.066886 2.823669       6.788151 
1 1 1 -25 5  14 o 114.1729 2.703244 1616.372       64.48535 1654.955       74.83092 1505.057       127.1054 116.9251 2.645277 111.4208 4.715149 5.504250       5.406489 
1 1 1 -25 5  15 o 158.8639 3.190786 3018.164       114.1952 2946.892       137.4912 3176.681       205.0465 155.9516 3.644038 161.7763 5.238841 -5.824738      6.381572 
1 1 1 -25 5  16 o 222.3031 4.486891 5999.938       241.3201 5999.938       241.3201 0.000000       0.000000 222.3031 4.486891 ?        ?        ?              ?        
1 1 1 -25 5  17 o 18.68676 5.236711 43.72312       24.62463 43.72312       24.62463 0.000000       0.000000 18.68676 5.236711 ?        ?        ?              ?        
1 1 1 -25 7  1  o 565.2131 7.072425 38709.71       967.1121 38627.91       1363.506 38792.53       1371.939 564.6141 9.981667 565.8122 10.02213 -1.198059      14.14485 
1 1 1 -25 7  2  o 557.2831 6.980961 37437.61       937.3629 35651.10       1258.940 39660.13       1404.184 542.4646 9.592491 572.1016 10.14492 -29.63696      13.96192 
1 1 1 -25 7  3  o 305.0253 5.764069 11216.97       424.0530 11892.92       630.6453 10659.13       572.9070 313.3683 8.318171 296.6823 7.981604 16.68594       11.52814 
1 1 1 -25 7  4  o 231.4008 4.041443 6272.947       206.8773 6993.457       388.8826 5988.561       244.3170 240.3453 6.687758 222.4563 4.539486 17.88896       8.082886 
1 1 1 -25 7  5  o 397.7913 5.104785 19160.93       491.2867 19154.81       694.4319 19167.06       695.1371 397.7279 7.216744 397.8548 7.221769 -0.1269226     10.20957 
1 1 1 -25 7  6  o 209.5762 3.068295 5315.379       155.5712 5290.506       219.0127 5340.711       221.0228 209.0816 4.329635 210.0709 4.348794 -0.9892731     6.136590 
1 1 1 -25 7  7  o 147.2607 2.528705 2624.181       90.08839 2608.392       126.6937 2640.329       128.1268 146.8129 3.566882 147.7086 3.585353 -0.8957214     5.057411 
1 1 1 -25 7  8  o 116.4117 4.520006 1640.690       127.3027 0.000000       0.000000 1640.690       127.3027 ?        ?        116.4117 4.520006 ?              ?        
1 1 1 -25 7  9  o 757.3188 9.418552 69996.91       1725.664 69759.64       2431.172 70237.84       2449.850 756.0397 13.29134 758.5979 13.34829 -2.558167      18.83710 
1 1 1 -25 7  10 o 276.4775 3.752488 9262.237       250.9993 9237.521       353.6467 9287.327       356.3014 276.1069 5.294073 276.8481 5.319536 -0.7411194     7.504977 
1 1 1 -25 7  11 o 374.5625 4.851499 17026.15       439.6171 17162.37       626.0478 16893.64       617.4661 376.0367 6.881372 373.0883 6.840678 2.948334       9.702997 
1 1 1 -25 7  12 o 282.1526 3.822939 9649.015       260.8914 9500.788       363.7160 9806.102       374.4295 279.9259 5.370528 284.3794 5.442140 -4.453461      7.645878 
1 1 1 -25 7  13 o 136.6555 2.465238 2260.005       81.47700 2326.524       117.0882 2197.557       113.4497 138.6035 3.491698 134.7076 3.481039 3.895935       4.930475 
1 1 1 -25 7  14 o 77.33839 3.299488 724.3937       61.73677 0.000000       0.000000 724.3937       61.73677 ?        ?        77.33839 3.299488 ?              ?        
1 1 1 -25 7  15 o 216.0164 3.135917 5659.965       163.8722 5716.363       233.8782 5605.573       229.6795 217.0708 4.453341 214.9621 4.416295 2.108765       6.271834 
1 1 1 -25 7  16 o 154.7787 3.609476 2905.895       135.1629 0.000000       0.000000 2905.895       135.1629 ?        ?        154.7787 3.609476 ?              ?        
1 1 1 -25 7  17 o 102.5145 2.667362 1263.487       62.96703 1234.088       77.48705 1320.642       108.0417 100.8438 3.175978 104.1851 4.286310 -3.341278      5.334725 
1 1 1 -25 7  18 o 82.00762 3.019488 817.0392       59.90869 817.0392       59.90869 0.000000       0.000000 82.00762 3.019488 ?        ?        ?              ?        
1 1 1 -25 7  19 o 76.99371 2.844975 720.8564       52.99513 720.8564       52.99513 0.000000       0.000000 76.99371 2.844975 ?        ?        ?              ?        
1 1 1 -25 9  1  o 462.0384 5.889641 25724.89       655.4563 24442.03       878.6381 27334.63       984.2338 449.1444 8.085776 474.9323 8.565728 -25.78784      11.77928 
1 1 1 -25 9  2  o 590.7349 7.377349 42315.44       1054.225 42760.25       1506.318 41888.38       1475.946 593.7696 10.48567 587.7003 10.38036 6.069336       14.75470 
1 1 1 -25 9  4  o 140.6708 3.663326 2394.626       124.6757 0.000000       0.000000 2394.626       124.6757 ?        ?        140.6708 3.663326 ?              ?        
1 1 1 -25 9  5  o 588.3145 7.352862 42010.93       1046.567 41964.24       1478.151 42057.86       1481.995 587.9882 10.39078 588.6407 10.40625 -0.6525269     14.70572 
1 1 1 -25 9  6  o 125.6960 2.453970 1909.808       74.57626 1849.885       103.1790 1975.357       107.9137 123.6343 3.449451 127.7578 3.491299 -4.123405      4.907941 
1 1 1 -25 9  7  o 307.6423 5.023633 11502.67       353.9597 11388.46       606.3727 11561.70       435.9400 306.3675 8.180779 308.9172 5.832871 -2.549744      10.04727 
1 1 1 -25 9  8  o 170.8448 3.353580 3514.220       130.5837 3596.668       227.7998 3473.867       159.3673 172.2955 5.464835 169.3941 3.888649 2.901474       6.707161 
1 1 1 -25 9  9  o 176.8434 2.775721 3785.844       118.7425 3739.898       166.2362 3833.708       169.6709 175.7487 3.909589 177.9380 3.941273 -2.189224      5.551443 
1 1 1 -25 9  10 o 149.6645 3.190868 2702.299       107.2837 2683.553       129.3565 2743.605       192.0212 148.8755 3.591393 150.4535 5.275269 -1.578049      6.381737 
1 1 1 -25 9  11 o 82.68845 2.860564 844.0834       54.82799 769.5419       89.45701 888.9313       69.38827 79.69156 4.639805 85.68534 3.347165 -5.993782      5.721128 
1 1 1 -25 9  12 o 130.6039 2.481830 2065.714       78.41241 2103.841       111.0463 2027.798       110.7381 131.8070 3.482276 129.4008 3.537186 2.406174       4.963661 
1 1 1 -25 9  13 o 136.4348 2.507264 2254.640       82.75822 2252.437       116.5074 2256.883       117.5755 136.3682 3.531329 136.5013 3.560227 -0.1331024     5.014529 
1 1 1 -25 9  14 o 61.40543 2.686840 457.5622       39.77457 409.9232       55.85341 506.5777       56.65464 58.15325 3.969844 64.65762 3.621708 -6.504368      5.373679 
1 1 1 -25 9  15 o 134.5078 3.489198 2193.528       113.5469 2193.528       113.5469 0.000000       0.000000 134.5078 3.489198 ?        ?        ?              ?        
1 1 1 -25 9  16 o 120.9285 2.363390 1773.993       69.14220 1790.133       98.40585 1758.256       97.16955 121.4711 3.348465 120.3860 3.336200 1.085106       4.726780 
1 1 1 -25 9  17 f 99.73299 3.181498 1208.044       76.76669 0.000000       0.000000 1208.044       76.76669 ?        ?        99.73299 3.181498 ?              ?        
1 1 1 -25 9  18 o 18.76946 4.237040 41.47858       22.89415 20.38725       33.54791 59.86290       31.32112 15.86513 6.139420 21.67379 5.841023 -5.808661      8.474079 
1 1 1 -25 9  19 o 129.4331 3.430559 2063.661       107.3387 2008.328       153.5076 2116.597       150.1480 127.6792 4.969437 131.1869 4.730714 -3.507645      6.861119 
1 1 1 -25 9  20 o 61.80613 3.229161 467.0065       48.28627 467.0065       48.28627 0.000000       0.000000 61.80613 3.229161 ?        ?        ?              ?        
1 1 1 -25 11 1  o 155.4846 2.718750 2900.348       101.8074 2642.223       136.4184 3224.827       152.9505 147.7463 3.816401 163.2230 3.873177 -15.47662      5.437501 
1 1 1 -25 11 2  o 97.02807 2.574607 1138.460       60.41121 1099.435       84.02318 1180.222       86.91911 95.30823 3.643900 98.74791 3.638187 -3.439682      5.149215 
1 1 1 -25 11 3  o 425.8297 5.460812 21884.70       560.5781 20818.81       755.0807 23193.63       836.7489 414.3587 7.532073 437.3007 7.908838 -22.94196      10.92162 
1 1 1 -25 11 4  o 225.8544 3.276099 6173.630       178.9655 6055.284       249.5501 6298.948       256.7963 223.6279 4.612427 228.0809 4.653690 -4.453049      6.552199 
1 1 1 -25 11 5  o 131.7949 2.534571 2102.280       80.81292 2073.829       113.6465 2131.380       114.9379 130.8929 3.588704 132.6969 3.580142 -1.803986      5.069143 
1 1 1 -25 11 6  o 496.2196 6.278139 29890.66       753.3140 30481.81       1086.862 29344.11       1045.061 500.9175 8.968214 491.5217 8.788132 9.395752       12.55628 
1 1 1 -25 11 7  o 454.2572 5.781385 25049.92       635.1976 25430.97       911.7145 24690.50       885.4704 457.6001 8.235131 450.9143 8.116667 6.685760       11.56277 
1 1 1 -25 11 8  o 319.0177 4.240358 12332.28       327.1306 12090.37       454.3612 12592.64       471.3726 315.7777 5.947268 322.2577 6.045870 -6.479950      8.480716 
1 1 1 -25 11 9  f 66.01209 2.619225 527.6543       41.80309 527.7758       60.23242 527.5413       58.06416 66.01823 3.771066 66.00596 3.635990 0.1226807E-01  5.238451 
1 1 1 -25 11 10 f 103.4647 2.430663 1295.258       60.82230 1256.646       84.70776 1336.350       87.38622 101.8742 3.436819 105.0552 3.438136 -3.181007      4.861327 
1 1 1 -25 11 11 o 203.0059 3.055770 4982.862       149.9037 5215.933       218.6180 4776.038       205.9412 207.4741 4.355317 198.5377 4.287439 8.936371       6.111539 
1 1 1 -25 11 12 o 285.5152 3.893314 9890.131       268.9113 10000.74       383.5749 9783.226       377.1038 287.0821 5.522576 283.9483 5.489329 3.133789       7.786629 
1 1 1 -25 11 13 o 193.1126 2.982153 4521.229       139.3282 4514.254       196.5670 4528.270       197.5160 192.9636 4.210494 193.2615 4.224298 -0.2979431     5.964307 
1 1 1 -25 11 14 o 180.1952 4.082128 3939.226       177.9640 0.000000       0.000000 3939.226       177.9640 ?        ?        180.1952 4.082128 ?              ?        
1 1 1 -25 11 15 o 195.9471 2.982210 4663.271       141.3624 4602.192       198.1780 4726.542       201.7020 194.6429 4.208376 197.2514 4.226568 -2.608521      5.964420 
1 1 1 -25 11 16 o 108.5689 2.422110 1431.671       63.61490 1438.454       90.69249 1425.102       89.25485 108.8195 3.444786 108.3184 3.405865 0.5011444      4.844221 
1 1 1 -25 11 17 o 49.01694 3.105903 291.2710       36.68648 328.3174       54.48569 260.5457       49.62004 51.85220 4.343231 46.18167 4.441045 5.670528       6.211806 
1 1 1 -25 11 19 o 29.75225 4.104845 113.9186       28.75622 90.39447       41.30046 136.0538       40.06267 26.33585 6.517280 33.16866 4.992403 -6.832817      8.209690 
1 1 1 -25 11 20 o 11.32703 3.551740 -10.34544      19.94499 -33.02183      32.27739 3.661296       25.36763 10.50419 4.942604 12.14986 5.101970 -1.645670      7.103480 
1 1 1 -25 13 1  o 188.0654 4.199503 4282.894       191.0773 4282.894       191.0773 0.000000       0.000000 188.0654 4.199503 ?        ?        ?              ?        
1 1 1 -25 13 2  o 103.1278 3.724585 1287.576       92.93002 1287.576       92.93002 0.000000       0.000000 103.1278 3.724585 ?        ?        ?              ?        
1 1 1 -25 13 3  o 456.4560 5.833804 25292.66       644.0137 24887.84       896.3005 25724.74       925.9696 452.6965 8.183597 460.2155 8.316358 -7.519043      11.66761 
1 1 1 -25 13 4  o 321.6925 4.287928 12515.66       333.1029 13029.33       489.4975 12072.63       454.5939 327.8121 6.171960 315.5728 5.954175 12.23929       8.575855 
1 1 1 -25 13 5  o 103.9923 2.568419 1305.959       64.53295 1376.647       94.28023 1243.647       88.51875 106.6327 3.654500 101.3519 3.609948 5.280754       5.136837 
1 1 1 -25 13 6  o 252.9364 3.549306 7746.008       217.0865 7558.232       301.1430 7949.156       313.2268 249.7508 4.983834 256.1219 5.054869 -6.371124      7.098613 
1 1 1 -25 13 7  o 157.7005 2.708329 3009.081       103.2741 3085.419       149.1419 2938.758       143.1459 159.6190 3.862005 155.7820 3.798039 3.837021       5.416658 
1 1 1 -25 13 8  o 284.5639 3.876503 9807.734       266.6822 10093.49       386.4184 9547.853       368.5097 288.5107 5.535969 280.6172 5.427907 7.893463       7.753007 
1 1 1 -25 13 9  o 252.3227 3.541080 7717.665       216.1588 7673.680       303.8810 7762.716       307.5413 251.5967 4.992249 253.0488 5.023390 -1.452042      7.082161 
1 1 1 -25 13 10 o 109.4077 3.633841 1449.814       96.18694 1449.814       96.18694 0.000000       0.000000 109.4077 3.633841 ?        ?        ?              ?        
1 1 1 -25 13 11 o 474.5720 6.053582 27454.38       694.9904 27675.55       990.7972 27240.15       975.1199 476.4385 8.595590 472.7055 8.526387 3.732941       12.10716 
1 1 1 -25 13 12 o 30.70920 5.144611 120.0048       37.82810 100.3537       54.07997 138.8310       52.93252 28.24179 7.702126 33.17661 6.822415 -4.934814      10.28922 
1 1 1 -25 13 13 o 89.52708 2.717055 970.8925       58.77967 905.6080       81.69305 1040.971       84.63923 86.40649 3.907836 92.64766 3.776026 -6.241165      5.434111 
1 1 1 -25 13 14 o 136.2874 2.604061 2254.022       85.86045 2227.110       121.1287 2281.198       121.7235 135.4683 3.695790 137.1065 3.669559 -1.638245      5.208121 
1 1 1 -25 13 15 o 69.25473 2.820701 583.1285       47.24205 589.9524       67.95071 576.7441       65.72553 69.64264 4.032891 68.86681 3.944771 0.7758255      5.641403 
1 1 1 -25 13 16 o 115.8083 3.509298 1631.938       98.32460 0.000000       0.000000 1631.938       98.32460 ?        ?        115.8083 3.509298 ?              ?        
1 1 1 -25 13 17 o 131.8745 2.591171 2083.838       81.82194 2393.590       127.3595 1866.137       106.7713 140.0417 3.758993 123.7073 3.567442 16.33443       5.182342 
1 1 1 -25 13 18 o 68.62039 2.862704 581.6804       46.96822 544.7021       70.71518 610.8702       62.82829 66.57323 4.390467 70.66756 3.674793 -4.094322      5.725408 
1 1 1 -25 13 19 o 34.29903 4.457763 142.6822       35.44003 204.1460       57.67533 105.3965       44.92127 40.30424 5.914758 28.29380 6.670999 12.01044       8.915525 
1 1 1 -25 13 20 o 26.31681 5.154118 90.84480       34.07463 116.5400       51.90012 71.37767       45.17451 29.33947 7.332130 23.29416 7.245661 6.045309       10.30824 
1 1 1 -25 15 1  o 304.7105 4.120166 11259.10       303.7198 11157.01       426.4023 11364.24       432.7166 303.3107 5.810714 306.1103 5.842830 -2.799652      8.240332 
1 1 1 -25 15 2  o 255.6265 3.607361 7918.297       223.0690 7817.607       312.3463 8023.114       318.6837 253.9700 5.083368 257.2830 5.119723 -3.312927      7.214721 
1 1 1 -25 15 3  o 25.29200 5.724753 71.23114       39.85059 102.3620       61.90538 49.20200       52.07528 28.75155 8.383463 21.83245 7.797997 6.919107       11.44951 
1 1 1 -25 15 4  o 209.5714 3.165937 5320.956       160.5199 5281.970       226.2774 5360.451       227.7487 208.7985 4.479313 210.3443 4.475307 -1.545761      6.331873 
1 1 1 -25 15 5  o 195.6646 3.053288 4636.477       144.5061 4712.480       207.0436 4564.286       201.7830 197.2262 4.339052 194.1031 4.296847 3.123093       6.106576 
1 1 1 -25 15 6  o 254.5440 3.594997 7849.758       221.3066 8026.813       318.4646 7684.408       307.7593 257.3147 5.115574 251.7733 5.052417 5.541351       7.189994 
1 1 1 -25 15 7  o 52.22857 3.701675 333.7604       46.01205 263.0933       64.68351 406.1459       65.46526 46.56878 5.741117 57.88835 4.674309 -11.31956      7.403350 
1 1 1 -25 15 8  o 37.45373 4.811111 174.0305       42.01474 228.9932       61.27801 125.2698       57.71734 43.43833 5.830814 31.46912 7.654331 11.96921       9.622223 
1 1 1 -25 15 9  o 112.4047 2.672550 1529.411       72.63936 1460.818       101.2483 1602.164       104.2737 109.8083 3.811097 115.0010 3.747752 -5.192650      5.345100 
1 1 1 -25 15 10 f 175.9742 2.903827 3747.835       123.5227 3893.949       179.2995 3615.845       170.4138 179.2312 4.134883 172.7172 4.078185 6.514023       5.807654 
1 1 1 -25 15 12 f 113.3701 2.631977 1552.495       72.04056 1674.382       105.9495 1447.685       98.24739 117.4911 3.727277 109.2491 3.717071 8.241989       5.263954 
1 1 1 -25 15 13 o 49.31503 3.677607 298.0636       43.56923 276.0913       63.99554 317.0470       59.48392 47.58636 5.558594 51.04369 4.816762 -3.457325      7.355214 
1 1 1 -25 15 14 o 40.00985 4.458360 196.2860       43.12390 199.1742       62.38541 193.6431       59.67747 40.28293 6.401175 39.73677 6.207483 0.5461655      8.916719 
1 1 1 -25 15 15 o 87.25134 3.884417 927.6744       81.99742 0.000000       0.000000 927.6744       81.99742 ?        ?        87.25134 3.884417 ?              ?        
1 1 1 -25 15 16 o 42.89803 4.352477 221.5663       43.07594 304.4334       68.33166 166.9180       55.49060 49.66241 5.687113 36.13366 6.590368 13.52876       8.704953 
1 1 1 -25 15 17 o 59.58763 3.483134 435.0988       49.51493 455.0507       77.41449 421.2856       64.41376 60.65137 5.275691 58.52389 4.549284 2.127480       6.966269 
1 1 1 -25 15 18 o 36.48560 5.066342 173.4639       42.61348 169.4593       68.76861 175.9602       54.29391 35.54534 8.168032 37.42586 5.996212 -1.880516      10.13268 
1 1 1 -25 15 19 o 34.15764 5.616125 155.2815       44.25584 174.1369       73.44572 144.5326       55.45361 35.47862 8.637527 32.83666 7.180289 2.641956       11.23225 
1 1 1 -25 15 20 o 65.02335 4.904727 533.4593       73.91675 653.1826       128.2330 473.8846       90.45679 69.66719 7.607975 60.37951 6.192262 9.287685       9.809454 
1 1 1 -25 17 1  o 219.7135 3.296567 5843.256       175.0759 6040.560       254.3072 5665.491       241.3870 223.2298 4.708734 216.1972 4.614892 7.032593       6.593133 
1 1 1 -25 17 2  o 216.3504 3.274088 5672.415       171.3588 5593.619       240.2798 5753.969       244.4499 214.8224 4.623123 217.8784 4.637386 -3.056030      6.548176 
1 1 1 -25 17 3  o 334.9919 4.466726 13549.71       360.5740 14455.44       539.9783 12820.85       484.3951 345.0080 6.469114 324.9757 6.160935 20.03235       8.933452 
1 1 1 -25 17 4  o 136.7289 2.773038 2264.741       91.73015 2248.915       129.3695 2280.743       130.0855 136.2484 3.924626 137.2094 3.918706 -0.9610748     5.546075 
1 1 1 -25 17 5  o 152.0203 2.814269 2764.390       102.8462 3166.640       156.0937 2455.804       136.7177 161.6682 3.990785 142.3724 3.969140 19.29581       5.628538 
1 1 1 -25 17 6  o 161.4360 2.842116 3152.999       110.9169 3289.000       160.7614 3029.441       153.2299 164.7523 4.033183 158.1196 4.005486 6.632690       5.684231 
1 1 1 -25 17 7  o 123.2990 2.764342 1839.856       82.40500 1933.190       118.8279 1753.385       114.3761 126.3087 3.888505 120.2892 3.930124 6.019478       5.528684 
1 1 1 -25 17 8  o 100.5668 2.821385 1226.298       68.61977 1262.371       96.86055 1189.952       97.22652 102.0554 3.922913 99.07820 4.056059 2.977203       5.642771 
1 1 1 -25 17 9  o 91.44169 2.927299 1014.684       64.71706 993.4255       92.62083 1034.965       90.46473 90.50010 4.230165 92.38328 4.047470 -1.883179      5.854598 
1 1 1 -25 17 11 o 61.31939 3.464909 457.6178       51.28938 453.5891       74.89171 461.1763       70.38605 61.05314 5.070181 61.58565 4.723945 -0.5325089     6.929819 
1 1 1 -25 17 12 o 87.46794 2.893763 927.4251       61.08303 1025.388       88.84904 839.6254       84.11420 91.84489 3.998485 83.09100 4.184206 8.753883       5.787526 
1 1 1 -25 17 13 o 70.53639 3.206185 606.8206       54.65412 608.6121       79.22688 605.1938       75.49342 70.62231 4.636906 70.45048 4.429175 0.1718292      6.412370 
1 1 1 -25 17 14 o 118.2737 3.839418 1705.354       109.8642 0.000000       0.000000 1705.354       109.8642 ?        ?        118.2737 3.839418 ?              ?        
1 1 1 -25 17 15 o 37.93329 5.151734 184.4674       46.11759 166.3235       66.98509 200.8175       63.58770 35.68732 7.960645 40.17926 6.541374 -4.491940      10.30347 
1 1 1 -25 17 16 o 94.13069 2.862292 1081.941       64.86256 1131.756       97.51222 1042.409       86.86693 96.01752 4.197651 92.24387 3.892375 3.773651       5.724584 
1 1 1 -25 17 17 o 65.03033 3.485730 518.3209       54.02815 563.6592       85.32586 487.9768       69.80472 67.26368 5.243216 62.79700 4.594557 4.466682       6.971461 
1 1 1 -25 17 18 o 49.07372 4.342625 298.4330       50.31898 345.5033       82.59314 270.6492       63.45503 51.88314 6.579841 46.26429 5.669149 5.618858       8.685249 
1 1 1 -25 17 19 o 30.72220 6.279753 138.4478       49.58459 113.0265       80.41342 154.0432       62.98373 28.27781 9.721313 33.16659 7.952187 -4.888783      12.55951 
1 1 1 -25 17 20 o 24.94398 7.532133 59.60999       77.34721 110.7674       129.6110 31.31470       96.39282 27.83916 11.59944 22.04880 9.611714 5.790359       15.06427 
1 1 1 -25 19 1  o 25.89496 6.126981 69.84419       49.34327 11.15992       72.53072 120.4050       67.32370 20.82664 8.677341 30.96328 8.652362 -10.13665      12.25396 
1 1 1 -25 19 2  o 213.2846 3.290008 5512.303       169.6487 5374.317       234.6001 5663.554       245.6180 210.4954 4.606629 216.0738 4.698464 -5.578369      6.580015 
1 1 1 -25 19 3  o 123.3275 2.827741 1843.132       84.33840 1825.887       117.3808 1861.535       121.2587 122.7342 3.953021 123.9208 4.044514 -1.186539      5.655481 
1 1 1 -25 19 4  o 234.2891 3.457234 6658.056       195.9134 6800.377       281.1163 6523.656       273.1808 236.7194 4.908512 231.8589 4.869946 4.860504       6.914467 
1 1 1 -25 19 5  o 310.4853 4.209517 11719.57       316.1940 11810.05       449.9349 11631.27       444.4474 311.6656 5.967033 309.3049 5.939244 2.360687       8.419033 
1 1 1 -25 19 6  o 91.46437 2.961147 1014.540       65.48530 1022.030       94.44286 1007.605       90.88026 91.78542 4.252978 91.14332 4.121377 0.6420975      5.922295 
1 1 1 -25 19 7  o 61.33385 4.409973 430.5192       62.48446 553.8370       110.0784 371.8958       75.89700 67.38351 6.752214 55.28418 5.674419 12.09934       8.819945 
1 1 1 -25 19 8  o 87.51163 2.929025 928.2687       61.91685 1004.717       89.34485 857.6265       85.88490 90.97913 4.059060 84.04414 4.223836 6.934998       5.858051 
1 1 1 -25 19 9  f 26.68882 6.194846 84.05989       46.38581 73.02808       65.33680 95.27089       65.86529 25.45695 8.762094 27.92069 8.759576 -2.463741      12.38969 
1 1 1 -25 19 10 o 251.4535 3.611425 7705.178       219.6088 7868.376       316.3028 7553.291       305.1452 254.0070 5.147010 248.9001 5.067330 5.106888       7.222849 
1 1 1 -25 19 11 o 72.88449 3.402755 646.9615       59.87722 590.7960       82.75288 708.6791       86.74659 69.55737 4.917424 76.21161 4.704668 -6.654236      6.805510 
1 1 1 -25 19 13 o 123.3485 3.978400 1858.031       118.7257 0.000000       0.000000 1858.031       118.7257 ?        ?        123.3485 3.978400 ?              ?        
1 1 1 -25 19 14 o 105.3524 2.880552 1357.968       73.36784 1384.421       106.1768 1333.795       101.4969 106.3166 4.127875 104.3881 4.018826 1.928413       5.761104 
1 1 1 -25 19 15 o 69.00345 3.685544 588.6849       61.16310 605.4052       92.15073 575.5189       81.77177 69.79597 5.457152 68.21091 4.955040 1.585060       7.371088 
1 1 1 -25 19 16 o 25.08207 6.520754 72.32960       50.84303 72.41013       83.52367 72.28220       64.08405 25.69732 9.751247 24.46681 8.659914 1.230505       13.04151 
1 1 1 -25 19 17 o 31.47941 6.574521 131.2421       53.75397 187.4854       85.15125 93.97885       69.31005 36.31448 9.560657 26.64434 9.027244 9.670139       13.14904 
1 1 1 -25 19 18 o 60.98318 4.174126 466.5869       60.65685 576.1176       96.17236 394.2349       78.16414 66.71294 5.958513 55.25343 5.847174 11.45951       8.348252 
1 1 1 -25 19 19 o 22.44820 6.573324 51.03430       59.05130 74.24065       82.93722 27.17430       84.09715 24.01261 9.544212 20.88380 9.041149 3.128811       13.14665 
1 1 1 -25 21 1  o 122.8820 2.803899 1832.941       83.35561 1843.361       118.5368 1822.749       117.2392 123.2263 3.976011 122.5377 3.954584 0.6885605      5.607798 
1 1 1 -25 21 2  o 160.4141 2.939550 3122.364       114.0347 3250.103       163.6374 3001.760       159.0014 163.6048 4.134130 157.2234 4.180048 6.381378       5.879101 
1 1 1 -25 21 3  o 135.6887 2.831634 2235.222       92.95375 2260.312       131.6087 2210.248       131.3048 136.4506 3.986637 134.9267 4.022353 1.523911       5.663267 
1 1 1 -25 21 4  o 138.6265 2.849333 2333.830       95.54176 2311.686       136.1765 2355.298       134.0807 137.9723 4.079512 139.2807 3.978992 -1.308456      5.698666 
1 1 1 -25 21 5  f 176.1781 4.283090 3771.777       182.5624 0.000000       0.000000 3771.777       182.5624 ?        ?        176.1781 4.283090 ?              ?        
1 1 1 -25 21 6  o 64.30730 3.651492 503.1559       56.76481 524.2139       82.31133 484.0577       78.38747 65.58625 5.187337 63.02834 5.140537 2.557911       7.302985 
1 1 1 -25 21 7  o 132.1793 4.115326 2124.768       131.6043 2124.768       131.6043 0.000000       0.000000 132.1793 4.115326 ?        ?        ?              ?        
1 1 1 -25 21 8  o 146.9126 2.882543 2611.368       102.1352 2834.735       151.8896 2427.010       137.9907 152.6050 4.113931 141.2202 4.038785 11.38472       5.765085 
1 1 1 -25 21 9  o 122.4950 2.894984 1826.617       85.75325 1900.258       123.4441 1757.936       119.2133 124.8805 4.085764 120.1094 4.102469 4.771103       5.789968 
1 1 1 -25 21 10 o 34.31483 6.500346 153.7810       55.07120 150.0316       78.04801 157.4988       77.71793 33.91287 9.254489 34.71680 9.130850 -0.8039284     13.00069 
1 1 1 -25 21 11 o 103.5460 2.930223 1303.436       73.12479 1388.816       109.3908 1234.463       98.32085 106.5693 4.242740 100.5227 4.042769 6.046539       5.860446 
1 1 1 -25 21 12 o 137.8477 2.845432 2324.322       94.84447 2350.796       136.7224 2299.763       131.6803 138.5829 4.077817 137.1125 3.969553 1.470352       5.690865 
1 1 1 -25 21 13 o 55.25748 4.574644 376.2798       60.16785 484.0651       91.06887 292.7852       80.15294 62.28714 6.043231 48.22781 6.869413 14.05933       9.149288 
1 1 1 -25 21 14 o 80.95738 3.371420 808.8059       65.59884 837.9532       99.31082 786.2448       87.37306 82.15325 4.996542 79.76151 4.527744 2.391747       6.742841 
1 1 1 -25 21 15 o 27.54761 6.774557 97.02903       57.57780 53.00518       87.69735 130.3838       76.33463 24.32156 9.764519 30.77366 9.393224 -6.452097      13.54911 
1 1 1 -25 21 16 o 74.45412 3.782114 696.9056       67.86774 771.6779       101.3295 636.0746       91.39623 78.03693 5.367023 70.87131 5.330348 7.165619       7.564229 
1 1 1 -25 21 17 o 27.66640 7.195891 108.3861       63.20318 114.6793       92.46255 102.8667       86.59161 28.21840 10.34747 27.11440 10.00267 1.103996       14.39178 
1 1 1 -25 21 18 o 23.05036 6.872847 57.47270       65.40841 55.21645       96.91611 59.36005       88.63988 23.13004 9.853939 22.97068 9.583526 0.1593609      13.74569 
1 1 1 -25 23 1  o 208.1278 3.293070 5285.093       165.7777 5390.269       237.6991 5185.485       231.3211 210.1356 4.675473 206.1199 4.638664 4.015717       6.586141 
1 1 1 -25 23 2  o 20.79379 5.943783 20.39494       48.17749 -22.82111      74.65587 51.23576       63.06732 18.69505 8.291720 22.89253 8.518309 -4.197475      11.88757 
1 1 1 -25 23 3  o 58.09119 3.967257 406.2488       55.22638 490.9448       84.39896 342.8303       73.03214 63.30553 5.510528 52.87685 5.708817 10.42868       7.934514 
1 1 1 -25 23 4  o 154.6800 4.108575 2915.495       153.7544 0.000000       0.000000 2915.495       153.7544 ?        ?        154.6800 4.108575 ?              ?        
1 1 1 -25 23 5  o 52.34001 4.263334 337.7545       53.61024 329.5379       80.12656 344.4137       72.13435 51.70686 6.405102 52.97316 5.628387 -1.266304      8.526669 
1 1 1 -25 23 6  o 115.7073 2.891504 1632.621       80.84875 1641.090       117.3547 1624.971       111.5414 115.9707 4.182633 115.4438 3.993588 0.5269165      5.783007 
1 1 1 -25 23 7  o 129.8367 4.032125 2057.348       126.6583 0.000000       0.000000 2057.348       126.6583 ?        ?        129.8367 4.032125 ?              ?        
1 1 1 -25 23 8  o 79.44007 4.498707 751.2219       79.63492 862.4628       148.3350 706.1779       94.39082 83.08012 7.379795 75.80003 5.147047 7.280090       8.997414 
1 1 1 -25 23 9  o 127.5644 2.935966 1987.477       90.52118 2095.662       131.4408 1889.875       124.8462 130.8600 4.151653 124.2687 4.152514 6.591270       5.871933 
1 1 1 -25 23 10 o 93.16597 3.191846 1059.885       71.72063 1162.528       106.4750 974.6321       97.03725 97.26599 4.524643 89.06594 4.503234 8.200050       6.383692 
1 1 1 -25 23 11 o 97.99771 3.139051 1179.890       74.34657 1240.475       108.1345 1125.578       102.3848 100.3733 4.452909 95.62212 4.425627 4.751175       6.278103 
1 1 1 -25 23 12 o 49.15495 5.543715 315.4568       62.42085 423.0833       91.56780 222.0246       85.31621 57.83536 6.544056 40.47454 8.950219 17.36082       11.08743 
1 1 1 -25 23 13 o 38.55159 6.489882 208.0660       59.76848 180.8824       88.89435 230.4930       80.74316 35.85201 9.915224 41.25117 8.376313 -5.399166      12.97976 
1 1 1 -25 23 14 f 51.46723 5.254548 358.8292       61.68837 303.7250       94.22387 400.1675       81.61039 46.97047 8.608762 55.96399 6.027462 -8.993515      10.50910 
1 1 1 -25 23 15 o 24.26645 6.902845 61.74230       61.68039 53.79703       82.14569 72.01175       93.39079 23.26472 9.411511 25.26818 10.10052 -2.003460      13.80569 
1 1 1 -25 23 16 o 77.47064 4.226740 790.3634       79.07796 728.5905       109.2950 858.2271       114.5567 74.17802 6.090078 80.76325 5.862788 -6.585228      8.453481 
1 1 1 -25 25 1  f 63.07578 3.926633 486.6664       59.17291 520.3863       92.40347 463.2261       77.04183 64.82893 5.891381 61.32261 5.192824 3.506321       7.853266 
1 1 1 -25 25 2  o 101.1271 3.073826 1247.299       74.95148 1318.349       111.6785 1189.068       101.1035 103.7051 4.451099 98.54913 4.240441 5.155968       6.147652 
1 1 1 -25 25 3  o 126.6850 2.978458 1961.769       91.14933 2018.370       133.3302 1912.106       124.8923 128.3685 4.293068 125.0014 4.129700 3.367050       5.956916 
1 1 1 -25 25 4  f 34.67905 6.565917 158.8492       55.25443 160.8782       88.78651 157.5667       70.58963 34.78533 10.01049 34.57277 8.499125 0.2125626      13.13183 
1 1 1 -25 25 5  o 50.89440 4.883143 317.7827       59.47234 371.0722       92.80833 280.6537       77.46810 54.40584 7.050812 47.38296 6.757692 7.022877       9.766286 
1 1 1 -25 25 6  o 41.42535 5.980834 220.3746       57.45251 272.6845       89.28091 183.4038       75.05779 45.62846 8.397030 37.22224 8.518883 8.406216       11.96167 
1 1 1 -25 25 7  o 41.94493 6.072528 234.8250       59.71786 200.7060       91.46043 260.1806       78.84457 38.48927 9.796819 45.40060 7.178073 -6.911327      12.14506 
1 1 1 -25 25 8  o 74.94305 3.729825 694.3516       67.49308 753.1613       98.89146 643.0717       92.34384 77.91240 5.246261 71.97372 5.303123 5.938683       7.459650 
1 1 1 -25 25 9  o 49.04787 5.348660 310.3195       60.67193 399.2704       89.53986 234.8091       82.49819 56.19017 6.586485 41.90557 8.429167 14.28459       10.69732 
1 1 1 -25 25 10 o 26.43303 6.756798 83.68099       56.71601 52.84608       85.02476 108.4004       76.12783 24.22951 9.653120 28.63654 9.456985 -4.407032      13.51360 
1 1 1 -25 25 11 o 87.47327 3.521328 953.6870       74.22021 1080.094       108.1699 841.2315       102.0258 93.03020 4.805959 81.91633 5.147985 11.11388       7.042655 
1 1 1 -25 25 12 o 90.12180 3.514364 1013.640       76.17195 1181.159       112.9002 873.6729       103.1991 97.01202 4.810243 83.23158 5.124899 13.78043       7.028729 
1 1 1 -25 25 13 o 46.58543 6.118680 301.0060       66.78411 227.6667       89.92530 391.2052       99.72744 39.33262 9.546378 53.83823 7.656346 -14.50561      12.23736 
1 1 1 -25 25 14 o 51.28500 5.509912 365.8424       67.99725 364.6218       91.76250 367.3288       101.2632 51.55423 7.356964 51.01575 8.204365 0.5384789      11.01982 
1 1 1 -25 25 15 o 35.84072 7.839010 229.2766       75.03730 236.8152       101.6801 220.2612       111.1945 36.97976 10.73327 34.70168 11.42791 2.278076       15.67802 
1 1 1 -25 27 1  o 78.18300 3.664493 754.2156       68.81214 816.4886       105.1911 707.6332       90.97881 80.89476 5.374726 75.47124 4.982605 5.423523       7.328986 
1 1 1 -25 27 2  o 98.96405 3.163466 1179.042       74.54663 1391.880       119.0474 1041.749       95.61325 106.0415 4.640258 91.88666 4.300940 14.15479       6.326932 
1 1 1 -25 27 3  o 73.64246 3.959221 669.2000       70.05547 769.3703       106.6894 593.2734       92.88556 78.41019 5.624013 68.87472 5.574245 9.535477       7.918442 
1 1 1 -25 27 4  o 36.91142 6.773136 186.5217       59.99050 195.6637       95.94416 180.6534       76.87022 37.39637 10.28391 36.42648 8.817180 0.9698868      13.54627 
1 1 1 -25 27 5  o 42.28381 6.032628 230.7574       60.93729 368.8282       93.92867 130.4088       80.07612 53.59953 7.243274 30.96809 9.649112 22.63144       12.06526 
1 1 1 -25 27 6  o 25.24158 6.930072 65.39722       59.93993 73.42696       92.78925 59.64698       78.52171 26.27833 10.19889 24.20482 9.385429 2.073507       13.86014 
1 1 1 -25 27 7  o 66.22784 4.182050 554.3459       66.89831 600.3712       96.71624 512.1251       92.63281 68.91488 5.800750 63.54080 6.025733 5.374077       8.364100 
1 1 1 -25 27 8  o 40.54054 6.441297 235.3911       63.82738 156.9131       94.49155 301.2475       86.56013 33.09740 10.50548 47.98368 7.456277 -14.88628      12.88259 
1 1 1 -25 27 9  o 42.70569 6.138522 248.5162       64.80678 429.9888       97.72223 106.0468       86.58616 57.31642 7.047126 28.09496 10.05305 29.22145       12.27704 
1 1 1 -25 27 10 o 68.16293 4.574733 609.4876       72.11922 840.8529       105.4689 406.3015       98.83767 81.17683 5.370196 55.14904 7.407680 26.02779       9.149466 
1 1 1 -25 27 11 o 42.65579 6.650284 271.5394       68.60143 209.2634       98.25189 330.7802       95.82768 36.50270 10.53810 48.80887 8.115026 -12.30617      13.30057 
1 1 1 -25 27 12 o 39.24290 7.062428 247.6968       70.21951 166.0141       99.05518 330.2100       99.55750 31.64681 10.79150 46.83899 9.113452 -15.19218      14.12486 
1 1 1 -24 0  1  o 8.885995 4.019749 1.278663       27.41768 1.278663       27.41768 1.278663       27.41768 8.885995 5.684783 8.885995 5.684783 0.000000       0.000000 
1 1 1 -24 0  2  o 435.9444 5.542693 23021.56       826.1378 23021.56       826.1378 23021.56       826.1378 435.9444 7.838552 435.9444 7.838552 0.000000       0.000000 
1 1 1 -24 0  3  o 272.0152 3.688547 8962.219       343.0089 8962.219       343.0089 8962.219       343.0089 272.0152 5.216393 272.0152 5.216393 0.000000       0.000000 
1 1 1 -24 0  4  o 345.0897 4.497251 14424.25       530.5955 14424.25       530.5955 14424.25       530.5955 345.0897 6.360073 345.0897 6.360073 0.000000       0.000000 
1 1 1 -24 0  5  o 748.1313 9.254583 67844.53       2367.294 67844.53       2367.294 67844.53       2367.294 748.1313 13.08796 748.1313 13.08796 0.000000       0.000000 
1 1 1 -24 0  6  o 196.0104 2.896700 4654.256       194.0759 4654.256       194.0759 4654.256       194.0759 196.0104 4.096552 196.0104 4.096552 0.000000       0.000000 
1 1 1 -24 0  7  o 314.2948 5.880829 11980.96       631.4006 11980.96       631.4006 11980.96       631.4006 314.2948 8.316748 314.2948 8.316748 0.000000       0.000000 
1 1 1 -24 0  8  o 412.8940 5.271834 20653.74       744.2145 20653.74       744.2145 20653.74       744.2145 412.8940 7.455500 412.8940 7.455500 0.000000       0.000000 
1 1 1 -24 0  9  o 52.06158 2.234825 331.5299       39.47267 331.5299       39.47267 331.5299       39.47267 52.06158 3.160520 52.06158 3.160520 0.000000       0.000000 
1 1 1 -24 0  10 o 73.58200 2.100303 658.2745       52.68171 658.2745       52.68171 658.2745       52.68171 73.58200 2.970277 73.58200 2.970277 0.000000       0.000000 
1 1 1 -24 0  11 o 126.4939 2.289930 1939.922       98.96132 1939.922       98.96132 1939.922       98.96132 126.4939 3.238450 126.4939 3.238450 0.000000       0.000000 
1 1 1 -24 0  12 o 381.9909 4.928417 17696.90       643.6526 17696.90       643.6526 17696.90       643.6526 381.9909 6.969834 381.9909 6.969834 0.000000       0.000000 
1 1 1 -24 0  13 o 273.5134 3.712687 9069.166       347.1548 9069.166       347.1548 9069.166       347.1548 273.5134 5.250532 273.5134 5.250532 0.000000       0.000000 
1 1 1 -24 0  14 o 87.81615 2.067502 936.3190       61.96482 936.3190       61.96482 936.3190       61.96482 87.81615 2.923889 87.81615 2.923889 0.000000       0.000000 
1 1 1 -24 2  1  o 279.8511 4.385286 9314.612       251.5562 9174.080       286.4567 9788.222       525.8745 275.3547 4.299958 284.3476 7.644168 -8.992889      8.770573 
1 1 1 -24 2  2  o 829.3522 11.82675 83392.44       2050.030 83275.27       2363.971 83747.77       4116.824 828.9443 11.78730 829.7599 20.50726 -0.8156128     23.65350 
1 1 1 -24 2  3  o 467.7265 6.789172 26756.05       675.4187 27048.51       788.3350 25948.84       1309.699 472.7162 6.892996 462.7368 11.69863 9.979370       13.57834 
1 1 1 -24 2  4  o 782.5271 11.06117 75304.40       1854.004 76489.86       2175.546 72159.43       3543.496 794.5191 11.31779 770.5351 19.00803 23.98401       22.12233 
1 1 1 -24 2  5  o 156.2331 2.925537 2971.138       96.21069 2989.648       111.5331 2917.311       190.1950 157.1987 2.932599 155.2676 5.063095 1.931107       5.851074 
1 1 1 -24 2  6  o 596.0663 8.491766 43741.15       1088.137 44567.51       1280.547 41594.29       2064.013 606.6455 8.724854 585.4872 14.57111 21.15833       16.98353 
1 1 1 -24 2  7  o 440.5187 6.427640 23714.96       601.0609 23946.35       700.5787 23069.60       1169.983 444.7694 6.510581 436.2680 11.08470 8.501373       12.85528 
1 1 1 -24 2  8  o 356.7127 5.363200 15263.16       395.6552 15129.37       453.0614 15693.04       812.1072 353.5534 5.296631 359.8720 9.327453 -6.318542      10.72640 
1 1 1 -24 2  9  o 532.8190 7.757447 34224.31       856.5212 34001.17       982.3852 34931.59       1748.998 529.7055 7.665580 535.9324 13.48892 -6.226868      15.51489 
1 1 1 -24 2  10 o 287.7203 4.470536 9969.151       267.2842 9910.718       306.9777 10152.29       543.4575 286.1116 4.434749 289.3290 7.763746 -3.217346      8.941072 
1 1 1 -24 2  11 o 203.1046 2.966273 4994.810       145.7568 4969.862       205.6105 5020.012       206.6561 202.5948 4.194834 203.6144 4.195052 -1.019608      5.932545 
1 1 1 -24 2  12 f 125.1149 2.281373 1858.797       68.39434 2202.215       105.6070 1610.702       89.76170 134.8785 3.236293 115.3512 3.216374 19.52727       4.562747 
1 1 1 -24 2  13 o 288.1275 3.871645 10047.11       269.5343 10420.81       393.6181 9717.174       369.8494 293.1535 5.549803 283.1014 5.399836 10.05212       7.743290 
1 1 1 -24 2  14 o 160.4593 2.569250 3111.033       99.61954 2966.614       136.8675 3273.741       145.2747 156.5093 3.614580 164.4093 3.652258 -7.900024      5.138500 
1 1 1 -24 2  15 o 176.1673 3.839319 3760.232       163.6372 3760.232       163.6372 0.000000       0.000000 176.1673 3.839319 ?        ?        ?              ?        
1 1 1 -24 4  1  o 486.6589 7.095708 28604.75       720.7020 28524.05       830.0742 28851.88       1452.595 485.4305 7.067854 487.8873 12.30617 -2.456787      14.19142 
1 1 1 -24 4  2  o 615.7657 15.33377 46008.33       2284.371 0.000000       0.000000 46008.33       2284.371 ?        ?        615.7657 15.33377 ?              ?        
1 1 1 -24 4  3  o 383.3369 4.929544 17763.81       456.7278 18292.57       664.0795 17289.21       629.1558 388.7396 7.060882 377.9342 6.880812 10.80542       9.859089 
1 1 1 -24 4  4  o 164.8285 2.621174 3285.911       104.5056 3227.681       145.9802 3347.128       149.6755 163.3312 3.694219 166.3257 3.719537 -2.994553      5.242348 
1 1 1 -24 4  5  f 432.4836 5.501122 22645.42       575.5965 22700.35       816.3779 22591.13       811.6752 433.0045 7.792854 431.9628 7.766648 1.041656       11.00224 
1 1 1 -24 4  6  o 404.4830 5.174694 19786.35       505.9686 19315.88       698.5124 20305.69       733.8932 399.4340 7.228145 409.5320 7.407008 -10.09799      10.34939 
1 1 1 -24 4  7  o 284.0372 3.819392 9764.400       262.4630 9730.602       370.2299 9798.549       372.1348 283.5432 5.396969 284.5312 5.405900 -0.9880066     7.638785 
1 1 1 -24 4  8  o 506.2547 6.368946 31058.50       779.9882 30781.92       1093.036 31345.48       1113.385 503.9631 8.964649 508.5463 9.049252 -4.583221      12.73789 
1 1 1 -24 4  9  o 267.3407 4.464528 8679.656       272.9609 8725.518       335.6697 8590.125       468.9983 268.4468 5.168345 266.2346 7.281225 2.212219       8.929055 
1 1 1 -24 4  10 o 346.0991 5.200616 14647.22       381.2869 14778.63       443.8621 14277.22       744.7876 349.3007 5.252261 342.8975 8.977716 6.403259       10.40123 
1 1 1 -24 4  11 o 365.5311 5.462035 16357.58       422.9669 16509.30       492.4701 15930.99       825.7900 369.0998 5.514851 361.9624 9.429831 7.137390       10.92407 
1 1 1 -24 4  12 o 277.5083 4.313243 9535.749       257.4819 9780.945       303.6985 8908.982       485.5555 284.1566 4.417562 270.8600 7.409549 13.29663       8.626487 
1 1 1 -24 4  13 o 180.0386 3.203629 3902.767       119.9618 3879.261       137.8305 3976.204       243.6163 179.0031 3.182602 181.0740 5.560936 -2.070908      6.407259 
1 1 1 -24 4  14 o 180.3609 2.760936 3923.363       120.1634 4183.506       177.9563 3705.344       162.9121 185.8284 3.958211 174.8934 3.850148 10.93495       5.521872 
1 1 1 -24 4  15 f 157.9472 3.621994 3022.393       138.4082 3022.393       138.4082 0.000000       0.000000 157.9472 3.621994 ?        ?        ?              ?        
1 1 1 -24 4  16 o 86.98972 2.859466 916.6165       60.18041 916.6165       60.18041 0.000000       0.000000 86.98972 2.859466 ?        ?        ?              ?        
1 1 1 -24 6  1  o 366.0078 6.709458 16215.67       594.1282 0.000000       0.000000 16215.67       594.1282 ?        ?        366.0078 6.709458 ?              ?        
1 1 1 -24 6  2  o 99.74534 2.295144 1202.056       55.34761 1148.133       76.71111 1260.607       79.93510 97.41527 3.254834 102.0754 3.236787 -4.660141      4.590287 
1 1 1 -24 6  3  o 328.4293 4.331851 13051.94       344.1447 12874.64       481.2013 13237.57       492.3794 326.1476 6.098321 330.7110 6.153880 -4.563385      8.663703 
1 1 1 -24 6  4  o 352.6727 4.605660 15048.59       392.8276 15294.73       564.9426 14818.18       546.5958 355.4615 6.569155 349.8839 6.457138 5.577606       9.211321 
1 1 1 -24 6  5  o 856.4077 10.55817 89037.88       2187.555 88624.25       3079.522 89459.20       3108.014 854.4070 14.89760 858.4084 14.96535 -4.001404      21.11634 
1 1 1 -24 6  6  o 278.1768 5.330494 9365.692       358.7491 9365.692       358.7491 0.000000       0.000000 278.1768 5.330494 ?        ?        ?              ?        
1 1 1 -24 6  7  o 392.0349 5.040565 18601.89       477.8601 18256.16       663.5688 18974.33       688.7256 388.2575 7.064214 395.8122 7.192083 -7.554688      10.08113 
1 1 1 -24 6  8  o 258.9446 3.564884 8114.808       223.2829 7979.124       311.7151 8257.788       319.9866 256.7234 5.018687 261.1659 5.064225 -4.442474      7.129768 
1 1 1 -24 6  9  o 441.6572 5.618669 23639.62       599.9759 24219.45       867.8331 23108.75       830.3928 446.8279 8.027746 436.4865 7.863400 10.34137       11.23734 
1 1 1 -24 6  10 o 182.8653 2.800572 4042.513       123.7897 3911.157       170.6625 4188.355       179.8268 179.7366 3.924636 185.9940 3.996255 -6.257416      5.601145 
1 1 1 -24 6  11 o 159.5506 2.599018 3081.736       100.3164 3054.885       140.7420 3109.464       143.0232 158.8447 3.662255 160.2564 3.688830 -1.411697      5.198036 
1 1 1 -24 6  12 o 470.5112 5.975952 26896.01       679.6960 27579.70       985.8333 26276.53       938.3912 476.1728 8.557296 464.8496 8.343902 11.32315       11.95190 
1 1 1 -24 6  13 o 142.1723 3.487018 2447.688       119.9421 2447.688       119.9421 0.000000       0.000000 142.1723 3.487018 ?        ?        ?              ?        
1 1 1 -24 6  14 o 82.51685 3.215687 824.5338       64.19759 824.5338       64.19759 0.000000       0.000000 82.51685 3.215687 ?        ?        ?              ?        
1 1 1 -24 6  15 o 105.4884 2.797759 1350.737       67.04745 1354.410       81.85729 1343.248       116.8720 105.7434 3.199646 105.2335 4.590435 0.5098267      5.595518 
1 1 1 -24 6  16 o 114.4755 2.762859 1626.956       72.95967 1726.474       92.03658 1458.656       119.6885 119.3517 3.187349 109.5994 4.513797 9.752289       5.525718 
1 1 1 -24 6  17 o 212.2700 4.365212 5479.448       224.1797 5479.448       224.1797 0.000000       0.000000 212.2700 4.365212 ?        ?        ?              ?        
1 1 1 -24 8  1  o 552.2447 6.920842 36952.05       924.6031 37214.34       1317.930 36697.83       1297.482 554.1702 9.829850 550.3192 9.745062 3.851074       13.84168 
1 1 1 -24 8  2  o 462.9336 5.866574 25956.04       657.0585 25987.23       930.6757 25925.04       927.7733 463.2104 8.304583 462.6569 8.288587 0.5534668      11.73315 
1 1 1 -24 8  3  o 137.1002 3.024140 2190.078       93.25692 2057.846       111.2776 2502.082       170.9306 130.4132 3.526825 143.7872 4.913573 -13.37396      6.048280 
1 1 1 -24 8  4  o 635.0066 15.83437 49006.54       2432.659 49006.54       2432.659 0.000000       0.000000 635.0066 15.83437 ?        ?        ?              ?        
1 1 1 -24 8  5  o 514.7312 7.911193 32337.87       938.0383 32810.18       1165.517 31469.36       1580.490 520.3177 9.258652 509.1446 12.83064 11.17313       15.82239 
1 1 1 -24 8  6  o 387.0713 6.109537 18173.51       540.0648 18120.17       932.2774 18200.45       662.5609 386.5153 9.969564 387.6273 7.064951 -1.111969      12.21907 
1 1 1 -24 8  7  o 201.1445 2.996288 4880.980       145.5312 5162.237       214.0992 4639.414       198.4185 206.5115 4.285174 195.7776 4.189063 10.73392       5.992576 
1 1 1 -24 8  8  o 350.6826 9.143474 14931.59       775.7606 0.000000       0.000000 14931.59       775.7606 ?        ?        350.6826 9.143474 ?              ?        
1 1 1 -24 8  9  f 116.5016 2.328011 1642.575       65.60563 1687.051       93.34144 1599.152       92.22929 118.0604 3.267892 114.9428 3.316538 3.117683       4.656023 
1 1 1 -24 8  10 o 199.2300 4.215989 4806.924       203.2154 0.000000       0.000000 4806.924       203.2154 ?        ?        199.2300 4.215989 ?              ?        
1 1 1 -24 8  11 o 292.3667 3.932144 10357.56       278.0330 10572.39       399.9514 10156.64       386.7757 295.2945 5.598215 289.4389 5.523316 5.855560       7.864289 
1 1 1 -24 8  12 o 244.8993 3.438402 7265.261       203.6598 7427.995       292.6192 7112.373       283.6282 247.5553 4.885716 242.2433 4.839444 5.312027       6.876804 
1 1 1 -24 8  13 o 64.92565 2.499356 511.2002       39.20646 535.4885       55.03254 486.1674       55.86954 66.49618 3.420744 63.35512 3.644945 3.141056       4.998712 
1 1 1 -24 8  14 o 148.0903 2.546263 2654.731       91.19181 2738.773       131.2029 2576.189       126.8372 150.3555 3.606799 145.8251 3.595111 4.530411       5.092526 
1 1 1 -24 8  15 o 35.51968 3.384622 152.8551       29.05561 145.8575       40.01833 160.6567       42.25448 34.66208 4.772018 36.37728 4.801095 -1.715202      6.769244 
1 1 1 -24 8  16 o 133.5625 3.387452 2163.556       109.4612 0.000000       0.000000 2163.556       109.4612 ?        ?        133.5625 3.387452 ?              ?        
1 1 1 -24 8  17 o 164.3543 3.714278 3283.047       147.6923 0.000000       0.000000 3283.047       147.6923 ?        ?        164.3543 3.714278 ?              ?        
1 1 1 -24 8  18 o 89.56126 3.072975 973.3102       66.21060 1035.812       100.1643 924.8067       88.23749 92.06901 4.496733 87.05353 4.189522 5.015480       6.145950 
1 1 1 -24 8  19 o 74.86282 3.037739 682.2203       55.01979 682.2203       55.01979 0.000000       0.000000 74.86282 3.037739 ?        ?        ?              ?        
1 1 1 -24 8  20 o 42.21432 3.072706 217.4659       31.38218 217.4659       31.38218 0.000000       0.000000 42.21432 3.072706 ?        ?        ?              ?        
1 1 1 -24 10 1  o 853.9087 10.57076 88628.30       2180.948 86113.68       2993.222 91474.22       3184.289 841.1052 14.70911 866.7123 15.18572 -25.60712      21.14152 
1 1 1 -24 10 2  o 223.3316 3.266492 6031.060       176.3926 6215.641       254.8428 5861.298       244.3984 226.6078 4.648312 220.0554 4.590543 6.552383       6.532985 
1 1 1 -24 10 3  f 360.4899 4.702693 15735.42       410.0401 15530.14       572.0081 15952.40       588.0951 358.0756 6.602755 362.9042 6.698126 -4.828583      9.405385 
1 1 1 -24 10 4  o 210.3195 4.421858 5354.306       225.0022 0.000000       0.000000 5354.306       225.0022 ?        ?        210.3195 4.421858 ?              ?        
1 1 1 -24 10 5  o 348.7616 4.563883 14729.15       384.9515 14484.43       535.6892 14990.47       553.5577 345.7717 6.403555 351.7516 6.504659 -5.979858      9.127766 
1 1 1 -24 10 6  o 96.69826 2.422766 1130.566       56.61187 1211.536       81.35801 1054.560       78.82462 100.0524 3.361015 93.34409 3.490380 6.708321       4.845531 
1 1 1 -24 10 7  o 400.4564 5.158434 19430.99       499.3779 19000.39       689.8761 19904.99       723.7984 395.8132 7.204081 405.0995 7.385052 -9.286377      10.31687 
1 1 1 -24 10 8  o 309.7669 5.839740 11651.70       437.6382 11566.92       615.7186 11738.25       622.1593 308.6301 8.245968 310.9037 8.271293 -2.273590      11.67948 
1 1 1 -24 10 9  o 265.3001 4.477862 8533.998       270.9383 8543.725       469.4147 8529.140       331.7824 265.2985 7.313406 265.3017 5.169052 -0.3265381E-02 8.955725 
1 1 1 -24 10 10 o 154.4036 2.608106 2886.134       97.41432 2953.494       138.8922 2820.917       136.6641 156.1768 3.675860 152.6303 3.700935 3.546509       5.216212 
1 1 1 -24 10 11 o 168.5472 2.732494 3440.319       111.4178 3493.968       158.4559 3387.856       156.6960 169.8472 3.856096 167.2473 3.872546 2.599869       5.464988 
1 1 1 -24 10 12 o 156.0833 2.651179 2949.251       100.0861 3036.535       143.4825 2866.533       139.6804 158.3314 3.745669 153.8351 3.752994 4.496353       5.302358 
1 1 1 -24 10 13 o 109.9770 3.555756 1465.121       94.60982 0.000000       0.000000 1465.121       94.60982 ?        ?        109.9770 3.555756 ?              ?        
1 1 1 -24 10 14 o 120.3721 4.792836 1758.477       139.5792 1758.477       139.5792 0.000000       0.000000 120.3721 4.792836 ?        ?        ?              ?        
1 1 1 -24 10 15 o 157.9565 2.650494 3020.367       101.1815 3182.707       147.1610 2874.817       139.3434 161.9725 3.755338 153.9404 3.741377 8.032074       5.300987 
1 1 1 -24 10 16 o 69.89397 2.466398 593.1245       41.70154 585.7194       59.17277 600.4313       58.77898 69.45812 3.521247 70.32980 3.454461 -0.8716812     4.932797 
1 1 1 -24 10 18 o 177.8605 3.924095 3862.111       168.8579 0.000000       0.000000 3862.111       168.8579 ?        ?        177.8605 3.924095 ?              ?        
1 1 1 -24 10 20 o 16.30764 5.046280 -5.422708      37.16605 -12.56395      59.90783 -0.9544319     47.38781 16.84126 7.450628 15.77402 6.807930 1.067241       10.09256 
1 1 1 -24 12 1  o 178.6274 2.891122 3853.995       124.7788 3693.465       171.1578 4036.100       182.2962 174.6677 4.050248 182.5872 4.126722 -7.919449      5.782244 
1 1 1 -24 12 2  o 367.9968 4.797700 16415.96       427.1280 16519.13       607.7099 16315.24       600.4559 369.1371 6.804658 366.8566 6.765230 2.280518       9.595400 
1 1 1 -24 12 3  o 557.2101 7.007113 37726.51       944.4780 37325.88       1321.609 38144.70       1350.239 554.2010 9.856739 560.2191 9.962089 -6.018127      14.01423 
1 1 1 -24 12 4  o 51.69474 3.363052 324.9081       41.89521 299.7557       60.27060 348.4241       58.27721 49.74810 5.007566 53.64137 4.490520 -3.893272      6.726105 
1 1 1 -24 12 5  o 231.7923 3.333479 6505.213       186.9083 6406.439       261.4618 6608.439       267.2910 229.9943 4.698822 233.5903 4.729630 -3.596024      6.666958 
1 1 1 -24 12 6  o 623.6302 7.808184 47343.58       1177.403 48352.18       1700.500 46414.81       1631.822 629.9598 11.15736 617.3007 10.92631 12.65912       15.61637 
1 1 1 -24 12 7  o 64.32021 2.746704 502.0543       42.64721 473.2227       61.10270 529.4407       59.55172 62.51308 4.040054 66.12732 3.722297 -3.614235      5.493408 
1 1 1 -24 12 8  o 49.74881 3.257548 300.1861       39.10619 327.0345       55.55582 273.8181       55.05658 51.95918 4.419418 47.53844 4.786984 4.420734       6.515096 
1 1 1 -24 12 9  o 138.6151 2.557100 2326.173       85.74514 2374.697       122.1940 2279.102       120.3509 140.0393 3.606596 137.1909 3.625948 2.848373       5.114200 
1 1 1 -24 12 10 o 21.80839 5.177697 51.95326       33.21747 30.36396       46.97493 73.54564       46.97827 19.12489 7.299504 24.49188 7.345162 -5.366989      10.35539 
1 1 1 -24 12 11 o 229.0946 3.309504 6361.840       183.4278 6308.324       258.1212 6416.436       260.7104 228.1217 4.676863 230.0675 4.683825 -1.945770      6.619008 
1 1 1 -24 12 12 o 311.2839 4.174219 11724.46       313.5731 12342.72       463.9147 11204.37       425.4912 318.7899 6.014941 303.7780 5.789379 15.01190       8.348438 
1 1 1 -24 12 13 o 265.2403 5.214253 8542.946       334.6061 0.000000       0.000000 8542.946       334.6061 ?        ?        265.2403 5.214253 ?              ?        
1 1 1 -24 12 14 o 231.0698 3.343065 6479.290       186.7552 6687.725       270.5205 6289.500       258.1378 234.6079 4.766014 227.5318 4.689291 7.076126       6.686131 
1 1 1 -24 12 16 o 65.72478 2.818648 516.1873       44.29779 641.8682       67.55827 421.3988       58.67073 72.62801 3.844784 58.82154 4.122710 13.80647       5.637296 
1 1 1 -24 12 17 o 53.25313 3.045201 333.7289       38.44662 416.6242       62.40270 283.0113       48.81095 58.37120 4.418781 48.13506 4.191345 10.23614       6.090402 
1 1 1 -24 12 18 o 29.04032 4.792007 112.7813       33.00905 87.61733       51.39164 130.4536       43.06745 26.08610 7.647686 31.99454 5.776351 -5.908438      9.584015 
1 1 1 -24 12 19 o 69.35724 2.603009 591.7700       43.51362 551.9231       62.81109 628.5415       60.33847 67.05585 3.871661 71.65864 3.480355 -4.602791      5.206018 
1 1 1 -24 12 20 o 70.56195 2.473600 617.7779       41.75618 522.4471       59.80852 708.4342       58.32377 65.10064 3.797306 76.02327 3.171003 -10.92263      4.947200 
1 1 1 -24 14 1  o 116.5323 2.610468 1642.887       73.54220 1675.257       106.4843 1613.366       101.6900 117.6275 3.741748 115.4370 3.641085 2.190514       5.220937 
1 1 1 -24 14 2  o 479.9941 6.103797 27996.76       708.6853 28314.47       1014.313 27693.73       990.5735 482.6396 8.686536 477.3485 8.577265 5.291168       12.20759 
1 1 1 -24 14 3  o 367.6439 4.803610 16391.82       427.1200 16669.15       613.7902 16131.44       594.7380 370.6492 6.844703 364.6385 6.741568 6.010712       9.607221 
1 1 1 -24 14 4  o 190.6878 2.991629 4403.492       138.0108 4359.233       194.0744 4448.770       196.2981 189.7187 4.228203 191.6569 4.233401 -1.938202      5.983258 
1 1 1 -24 14 5  o 387.4689 5.027840 18208.97       471.0033 18648.43       681.4956 17807.10       651.7013 391.9258 7.187152 383.0120 7.032890 8.913818       10.05568 
1 1 1 -24 14 6  o 314.4535 5.955722 11992.68       453.0990 0.000000       0.000000 11992.68       453.0990 ?        ?        314.4535 5.955722 ?              ?        
1 1 1 -24 14 7  o 313.4004 4.202919 11913.38       318.6624 11823.66       447.9094 12005.34       453.4552 312.2077 5.929857 314.5931 5.957758 -2.385345      8.405837 
1 1 1 -24 14 8  o 203.3727 4.370747 5011.329       215.0555 0.000000       0.000000 5011.329       215.0555 ?        ?        203.3727 4.370747 ?              ?        
1 1 1 -24 14 9  o 65.70586 2.996900 523.7641       47.57759 549.5018       66.86662 497.3723       67.71107 67.34618 4.103875 64.06555 4.368505 3.280624       5.993799 
1 1 1 -24 14 10 o 338.1583 4.479362 13877.56       366.2472 14206.41       529.2662 13575.40       507.3332 341.9856 6.396818 334.3311 6.272118 7.654572       8.958725 
1 1 1 -24 14 11 o 219.9795 3.262609 5860.879       173.5112 6072.627       251.3642 5668.153       239.8072 223.7663 4.643083 216.1927 4.584785 7.573593       6.525218 
1 1 1 -24 14 12 o 132.1839 2.657521 2113.749       84.85619 2286.702       122.8777 1956.075       117.3244 137.3466 3.697880 127.0212 3.817770 10.32542       5.315043 
1 1 1 -24 14 13 o 106.9709 2.603516 1388.426       67.35678 1405.649       94.40900 1370.571       96.12802 107.6513 3.624865 106.2906 3.738118 1.360718       5.207031 
1 1 1 -24 14 14 f 74.56602 2.908575 676.0873       52.43073 707.2246       74.18819 645.0169       74.10838 76.28996 4.019435 72.84207 4.205161 3.447891       5.817151 
1 1 1 -24 14 15 o 166.0658 3.951056 3356.766       158.7434 0.000000       0.000000 3356.766       158.7434 ?        ?        166.0658 3.951056 ?              ?        
1 1 1 -24 14 16 f 113.5155 2.568391 1559.525       70.23497 1680.337       105.4582 1463.224       94.15461 117.4223 3.712168 109.6086 3.550542 7.813705       5.136783 
1 1 1 -24 14 17 o 75.42017 3.806445 695.0725       69.45593 0.000000       0.000000 695.0725       69.45593 ?        ?        75.42017 3.806445 ?              ?        
1 1 1 -24 14 18 o 29.09212 5.701296 105.4704       40.45013 141.5078       67.72506 85.48547       50.43403 32.53461 8.507650 25.64963 7.592035 6.884983       11.40259 
1 1 1 -24 14 19 o 30.36027 5.231273 128.2203       38.40075 92.65050       60.40960 152.3394       49.74458 26.50717 8.398400 34.21338 6.239532 -7.706209      10.46255 
1 1 1 -24 14 20 o 29.97983 6.498569 134.0778       55.04370 59.09578       97.58521 169.0660       66.66022 25.00548 10.20499 34.95418 8.048835 -9.948698      12.99714 
1 1 1 -24 16 1  o 194.3766 3.080880 4576.415       144.8642 4640.450       206.9856 4514.933       202.8159 195.7081 4.371486 193.0451 4.342511 2.662994       6.161760 
1 1 1 -24 16 2  o 116.1784 2.708207 1633.781       76.09335 1666.767       109.4561 1602.927       105.8586 117.3118 3.856523 115.0451 3.803257 2.266663       5.416413 
1 1 1 -24 16 3  o 264.3992 3.706208 8462.500       236.8390 8753.418       344.5225 8201.836       326.1167 268.6944 5.299766 260.1040 5.182315 8.590424       7.412416 
1 1 1 -24 16 4  o 310.5427 4.189393 11699.42       314.7523 11641.13       443.7454 11758.45       446.5215 309.7647 5.921063 311.3206 5.928327 -1.555939      8.378785 
1 1 1 -24 16 5  o 80.47439 2.903219 785.4834       56.40452 724.7230       79.61557 846.7115       79.92139 77.34184 4.254821 83.60694 3.951103 -6.265106      5.806437 
1 1 1 -24 16 6  o 169.1242 2.887908 3465.066       118.1597 3416.052       166.5857 3514.694       167.6251 167.9196 4.100474 170.3288 4.067699 -2.409180      5.775817 
1 1 1 -24 16 7  o 169.8311 2.860638 3494.578       117.5372 3478.999       166.4373 3510.077       166.0088 169.4525 4.059761 170.2096 4.031296 -0.7570648     5.721277 
1 1 1 -24 16 8  o 106.8294 2.690055 1382.536       69.52509 1395.697       98.74858 1369.600       97.90353 107.3336 3.802706 106.3253 3.805919 1.008354       5.380111 
1 1 1 -24 16 9  o 172.5355 2.914191 3606.965       121.6248 3692.508       173.8124 3524.894       170.2498 174.5397 4.116086 170.5313 4.126484 4.008316       5.828382 
1 1 1 -24 16 10 o 180.2300 2.964910 3939.079       129.2821 3937.442       183.1184 3940.705       182.5480 180.1919 4.200437 180.2681 4.185581 -0.7623291E-01 5.929820 
1 1 1 -24 16 11 o 151.9069 2.807500 2799.178       103.1609 2876.542       146.6412 2723.377       145.1534 153.9884 3.936094 149.8254 4.004420 4.163086       5.614999 
1 1 1 -24 16 12 o 42.41496 4.199841 219.3624       43.09437 221.6578       61.41490 217.1360       60.48503 42.63266 5.954277 42.19726 5.924632 0.4353981      8.399683 
1 1 1 -24 16 13 o 38.10052 4.942757 183.4615       44.15576 158.4637       64.33172 205.7286       60.71635 35.20000 7.762678 41.00105 6.120802 -5.801044      9.885514 
1 1 1 -24 16 14 o 183.0379 2.977156 4051.079       131.2155 4418.188       197.6828 3761.948       175.4363 190.3648 4.292199 175.7110 4.126846 14.65382       5.954311 
1 1 1 -24 16 15 o 27.35908 5.987486 94.51367       43.57241 91.36685       65.28893 97.04082       58.50853 27.14624 8.744842 27.57192 8.180937 -0.4256821     11.97497 
1 1 1 -24 16 16 o 41.33868 4.993434 209.5628       46.58366 377.5276       73.41110 96.33727       60.27325 55.27696 5.489279 27.40040 8.342983 27.87656       9.986869 
1 1 1 -24 16 17 o 70.24626 3.187366 595.2175       52.60209 661.2744       87.10818 557.3035       65.99329 73.12411 4.923750 67.36841 4.048939 5.755699       6.374733 
1 1 1 -24 16 18 o 68.80997 3.257266 582.2173       53.16862 613.5858       84.79101 561.8910       68.25459 70.17332 4.994309 67.44662 4.182821 2.726707       6.514531 
1 1 1 -24 16 19 o 31.70718 6.130279 133.9352       46.95790 172.4008       78.82233 112.7724       58.46536 34.81467 9.214201 28.59969 8.088250 6.214977       12.26056 
1 1 1 -24 18 1  o 250.7813 3.608951 7620.975       218.8488 7418.917       303.4619 7839.953       315.9113 247.3249 5.071473 254.2376 5.135977 -6.912766      7.217901 
1 1 1 -24 18 2  o 109.5245 2.831671 1454.169       74.89967 1344.763       105.2710 1566.332       106.5895 105.3448 4.130414 113.7043 3.874677 -8.359497      5.663342 
1 1 1 -24 18 3  o 102.6134 3.972197 1275.788       98.61368 0.000000       0.000000 1275.788       98.61368 ?        ?        102.6134 3.972197 ?              ?        
1 1 1 -24 18 4  o 155.8471 2.850468 2943.328       107.4692 2978.818       151.7700 2907.636       152.1997 156.7914 4.000936 154.9028 4.061181 1.888565       5.700936 
1 1 1 -24 18 5  o 88.16101 2.977770 939.9888       63.43224 1007.944       91.98233 878.3658       87.59207 91.19437 4.169021 85.12766 4.252965 6.066711       5.955540 
1 1 1 -24 18 6  o 109.4128 3.974838 1450.846       105.2180 1450.846       105.2180 0.000000       0.000000 109.4128 3.974838 ?        ?        ?              ?        
1 1 1 -24 18 7  f 147.9321 2.879830 2651.564       103.0118 2611.843       142.8874 2694.550       148.6444 146.7831 4.023608 149.0812 4.121198 -2.298111      5.759661 
1 1 1 -24 18 8  f 164.3768 2.914835 3272.901       115.8241 3178.786       159.8828 3376.839       168.0199 161.8974 4.081873 166.8562 4.162135 -4.958801      5.829670 
1 1 1 -24 18 9  o 230.7620 3.409944 6469.680       190.3756 6483.803       268.9834 6455.504       269.4808 231.0163 4.812608 230.5076 4.832150 0.5087280      6.819887 
1 1 1 -24 18 10 o 132.0036 3.932945 2115.241       125.6047 2115.241       125.6047 0.000000       0.000000 132.0036 3.932945 ?        ?        ?              ?        
1 1 1 -24 18 11 o 176.6554 2.975036 3794.267       127.1503 3778.558       179.9039 3809.947       179.7317 176.2877 4.218093 177.0230 4.196552 -0.7352753     5.950072 
1 1 1 -24 18 12 f 167.4629 2.911205 3374.541       117.1709 3768.268       178.6795 3077.492       155.1995 175.9124 4.198326 159.0135 4.034169 16.89890       5.822410 
1 1 1 -24 18 13 o 33.53017 5.914652 144.9670       47.64699 157.5975       71.33429 134.7929       64.02310 34.81256 8.535196 32.24777 8.190413 2.564789       11.82930 
1 1 1 -24 18 14 o 49.12473 4.397446 302.8240       51.44941 268.2670       76.89931 330.8280       69.22517 46.43338 6.845258 51.81609 5.522008 -5.382717      8.794892 
1 1 1 -24 18 15 o 111.2749 2.805511 1512.379       75.35463 1563.122       111.0737 1469.109       102.5687 112.9680 4.063998 109.5818 3.868783 3.386261       5.611022 
1 1 1 -24 18 16 o 31.35788 5.908973 126.0893       44.45076 156.2483       73.70721 108.8511       55.72458 34.04182 8.862704 28.67393 7.817691 5.367889       11.81795 
1 1 1 -24 18 17 o 80.57875 3.167314 791.3889       61.04007 895.3465       95.52314 719.6440       79.35527 84.89892 4.650548 76.25858 4.301152 8.640343       6.334627 
1 1 1 -24 18 18 o 27.48335 6.360072 87.77454       50.92539 166.3577       81.75279 37.94787       65.09817 34.03223 9.543309 20.93447 8.409954 13.09776       12.72014 
1 1 1 -24 18 19 o 39.49296 6.058812 218.0439       55.39443 269.1290       88.63025 185.2959       70.96209 43.09779 8.797793 35.88812 8.332805 7.209667       12.11762 
1 1 1 -24 18 20 o 30.73997 8.155789 171.9133       81.07266 162.9982       142.2226 176.2046       98.67458 29.74172 12.24961 31.73822 10.77100 -1.996498      16.31158 
1 1 1 -24 20 1  f 111.3547 2.903689 1502.218       78.16880 1424.735       108.6311 1585.419       112.5688 108.3778 4.142967 114.3316 4.069579 -5.953743      5.807379 
1 1 1 -24 20 2  o 328.5826 4.415071 13134.63       350.8784 13370.67       503.7324 12912.17       489.0284 331.4366 6.281988 325.7286 6.205486 5.708008       8.830143 
1 1 1 -24 20 3  o 58.32002 3.977673 412.6369       55.57560 495.8323       80.99943 338.6328       76.39412 63.88211 5.240833 52.75792 5.985080 11.12419       7.955345 
1 1 1 -24 20 4  o 186.3926 3.070509 4213.591       138.4090 4133.882       192.4255 4299.038       199.2316 184.5717 4.309186 188.2135 4.375273 -3.641785      6.141018 
1 1 1 -24 20 5  f 34.96082 5.631484 150.3801       49.53414 232.6053       72.49084 78.35962       67.84357 43.66303 6.862256 26.25860 8.931063 17.40443       11.26297 
1 1 1 -24 20 6  o 52.37129 4.190700 334.6120       52.78051 329.2779       78.73215 338.9659       71.13109 51.97050 6.261710 52.77208 5.571253 -0.8015862     8.381400 
1 1 1 -24 20 7  o 88.50778 3.088738 953.2048       65.97184 927.0668       96.01005 976.5851       90.80402 87.34103 4.543558 89.67454 4.185368 -2.333504      6.177477 
1 1 1 -24 20 8  o 85.42778 3.062907 886.2306       63.27151 915.4205       91.28391 859.2398       87.77789 86.77876 4.347889 84.07681 4.315257 2.701958       6.125813 
1 1 1 -24 20 9  o 64.21892 3.658508 500.9478       56.64820 528.0978       84.40895 478.6985       76.41199 65.78172 5.303725 62.65613 5.040756 3.125587       7.317016 
1 1 1 -24 20 10 o 139.6823 4.030500 2375.169       136.2080 0.000000       0.000000 2375.169       136.2080 ?        ?        139.6823 4.030500 ?              ?        
1 1 1 -24 20 11 o 37.21729 5.721952 180.1069       51.03638 137.6639       75.14368 216.4505       69.53487 32.60501 9.151664 41.82957 6.870953 -9.224556      11.44390 
1 1 1 -24 20 12 o 138.7669 2.928310 2348.903       98.19316 2425.401       143.1776 2280.973       134.9220 140.8768 4.200813 136.6570 4.080829 4.219788       5.856620 
1 1 1 -24 20 13 o 188.5012 3.116371 4319.953       141.4221 4730.950       213.3610 3997.886       188.8726 196.3824 4.490658 180.6200 4.322160 15.76248       6.232742 
1 1 1 -24 20 14 o 43.77900 5.348347 249.7889       53.68251 232.4053       84.86726 261.3836       69.31049 41.83735 8.669351 45.72065 6.265911 -3.883305      10.69669 
1 1 1 -24 20 15 o 31.14571 6.450125 130.9490       51.64719 134.4267       75.44199 127.8814       70.85403 31.50110 9.274730 30.79032 8.966372 0.7107754      12.90025 
1 1 1 -24 20 16 o 129.8828 2.936083 2082.328       92.13198 2208.146       134.6111 1971.447       126.3678 133.5537 4.166033 126.2118 4.138416 7.341843       5.872165 
1 1 1 -24 20 17 o 46.88517 5.456255 299.6851       58.68847 387.3228       84.07001 216.3790       81.96603 54.69157 6.353579 39.07876 8.872144 15.61281       10.91251 
1 1 1 -24 20 18 o 28.07633 7.097012 116.8153       60.88513 114.5663       91.10019 118.6307       81.84986 27.92325 10.26615 28.22941 9.801858 -0.3061523     14.19402 
1 1 1 -24 20 19 o 26.04728 7.580416 25.14849       85.98309 253.4206       138.6176 -117.6086      109.6202 35.09231 12.69958 17.00226 8.280783 18.09005       15.16083 
1 1 1 -24 22 1  o 131.1416 2.881359 2083.066       91.21310 2289.067       133.0604 1900.450       125.2804 137.2471 4.007221 125.0360 4.141387 12.21112       5.762717 
1 1 1 -24 22 2  o 112.9570 2.880120 1547.095       78.41676 1743.196       113.7267 1369.359       108.2705 119.7838 3.924299 106.1302 4.216663 13.65361       5.760241 
1 1 1 -24 22 3  o 57.87172 3.943403 406.1589       55.01338 456.4976       81.29581 363.6335       74.72073 61.16627 5.493559 54.57717 5.658845 6.589100       7.886807 
1 1 1 -24 22 4  o 64.53574 3.643127 505.1766       56.67240 570.3741       83.26757 448.9126       77.35265 68.40644 5.031258 60.66504 5.270288 7.741405       7.286254 
1 1 1 -24 22 5  o 78.49532 3.307766 744.3350       62.54986 827.3164       93.72833 677.7034       83.98866 82.40381 4.701336 74.58682 4.654320 7.816986       6.615532 
1 1 1 -24 22 6  o 84.19923 3.197624 863.5394       64.95016 868.8360       95.68410 859.0135       88.44876 84.41601 4.685033 83.98246 4.353122 0.4335480      6.395249 
1 1 1 -24 22 7  o 131.8214 2.883943 2070.856       90.90157 2432.968       142.3878 1821.741       118.1004 141.3206 4.164518 122.3222 3.990652 18.99849       5.767886 
1 1 1 -24 22 8  o 30.88294 6.298238 116.1805       53.41231 184.6914       77.11417 53.00309       74.05170 37.71230 8.637518 24.05358 9.168669 13.65871       12.59648 
1 1 1 -24 22 9  o 42.67046 5.269208 227.7352       53.09023 252.7083       80.21825 208.2714       70.81902 45.05786 7.358687 40.28306 7.543736 4.774799       10.53842 
1 1 1 -24 22 10 o 116.4654 2.890613 1654.637       81.36812 1729.035       118.3344 1587.913       112.0652 118.9370 4.112365 113.9938 4.063375 4.943192       5.781226 
1 1 1 -24 22 11 o 77.69279 3.405663 742.3919       64.00502 754.8985       90.30768 729.7688       90.72732 78.36423 4.763262 77.02136 4.868829 1.342873       6.811326 
1 1 1 -24 22 12 o 30.03080 6.764788 116.2085       55.94616 140.5907       79.99623 92.86630       78.27159 32.46185 9.548579 27.59975 9.585095 4.862101       13.52958 
1 1 1 -24 22 13 o 39.90406 6.077241 209.2755       56.96344 272.6246       86.50874 160.7827       75.68820 45.37958 8.180403 34.42854 8.989574 10.95103       12.15448 
1 1 1 -24 22 14 o 84.50843 3.421534 886.1565       69.60574 1015.869       101.3938 770.5421       95.72536 90.43753 4.634047 78.57933 5.035195 11.85820       6.843068 
1 1 1 -24 22 15 o 32.18210 6.605879 148.7206       59.49006 69.64738       89.52599 211.2442       79.60794 25.39120 9.971635 38.97300 8.667010 -13.58180      13.21176 
1 1 1 -24 22 16 o 63.17294 4.407118 508.7815       66.39030 407.2740       87.59595 645.7983       101.7705 55.73091 6.496591 70.61497 5.956935 -14.88406      8.814237 
1 1 1 -24 22 17 o 78.72252 4.111617 815.3878       78.22778 864.9105       113.4095 770.4379       108.0468 81.03146 5.784869 76.41357 5.844388 4.617889       8.223234 
1 1 1 -24 24 1  o 106.4522 2.995596 1378.884       77.01448 1468.777       113.0268 1300.977       105.2215 109.6743 4.259651 103.2300 4.213046 6.444351       5.991192 
1 1 1 -24 24 2  o 49.63961 4.821783 310.5919       56.41382 277.0594       87.39806 334.5416       73.86174 47.14965 7.661629 52.12957 5.856432 -4.979919      9.643565 
1 1 1 -24 24 3  o 67.66080 3.697500 559.4918       60.18190 581.7323       90.76477 542.0425       80.39561 68.81458 5.451732 66.50701 4.996462 2.307571       7.395000 
1 1 1 -24 24 4  o 75.46455 3.384760 696.3110       61.59122 710.6976       91.29246 684.2923       83.44221 76.14576 4.955493 74.78334 4.611887 1.362419       6.769521 
1 1 1 -24 24 5  o 74.01764 3.480760 662.1805       61.87761 773.8449       94.08564 577.0676       82.14169 79.44289 4.895150 68.59239 4.949774 10.85049       6.961520 
1 1 1 -24 24 6  o 37.99837 6.054971 183.2696       53.72390 227.4853       85.00447 153.8612       69.32491 41.71638 8.703838 34.28037 8.419852 7.436008       12.10994 
1 1 1 -24 24 7  f 106.2662 3.088232 1375.337       79.07529 1467.373       118.4829 1301.416       106.1840 109.4209 4.475620 103.1115 4.256468 6.309341       6.176463 
1 1 1 -24 24 8  o 37.56872 8.713483 178.3256       104.3693 294.8245       136.6871 15.43129       161.6292 46.13761 12.09693 28.99983 12.54446 17.13778       17.42697 
1 1 1 -24 24 9  o 31.93434 6.293262 126.1112       54.59343 211.8104       81.25208 55.58109       73.71114 39.96306 8.654315 23.90561 9.139115 16.05745       12.58652 
1 1 1 -24 24 10 o 82.16357 3.537165 836.5638       69.79600 828.1279       104.9175 843.2610       93.48217 81.67297 5.309664 82.65418 4.674785 -0.9812088     7.074330 
1 1 1 -24 24 11 o 32.05708 6.854590 134.1863       57.53946 177.9500       90.00272 103.9354       74.82853 35.84345 9.999880 28.27071 9.377848 7.572739       13.70918 
1 1 1 -24 24 12 o 40.75242 6.218211 226.2207       59.55994 262.8175       87.00735 193.9496       81.70354 44.06683 8.468662 37.43801 9.107488 6.628819       12.43642 
1 1 1 -24 24 13 o 55.66816 5.019679 406.7406       66.26347 317.8153       93.08846 498.0840       94.34558 49.00336 7.851770 62.33296 6.256068 -13.32960      10.03936 
1 1 1 -24 24 14 o 37.65263 6.805346 204.9440       62.03650 243.4052       94.36960 175.6745       82.32446 40.70999 9.716342 34.59526 9.531194 6.114735       13.61069 
1 1 1 -24 24 15 o 54.33427 5.909770 428.4872       73.08733 486.8406       97.74606 354.4914       110.0701 60.24458 6.706238 48.42397 9.732824 11.82061       11.81954 
1 1 1 -24 24 16 o 27.58137 7.404536 112.7538       70.93661 50.27869       94.62534 192.9116       107.1832 22.47945 9.660651 32.68328 11.22410 -10.20383      14.80907 
1 1 1 -24 26 1  o 23.04361 6.155623 5.264517       53.35258 124.2256       85.70934 -69.99175      68.17059 30.93511 10.02517 15.15210 7.145818 15.78301       12.31125 
1 1 1 -24 26 2  o 143.4927 2.983794 2519.114       103.4232 2682.860       151.3721 2375.751       141.6376 147.8465 4.231873 139.1389 4.207537 8.707642       5.967589 
1 1 1 -24 26 3  o 96.16458 3.269322 1140.953       75.62346 1112.674       112.3411 1164.386       102.2633 94.97397 4.889132 97.35519 4.341686 -2.381218      6.538643 
1 1 1 -24 26 4  o 72.79364 3.765188 640.3339       65.44090 800.7205       101.5399 526.3865       85.58646 80.43324 5.217939 65.15405 5.429518 15.27920       7.530375 
1 1 1 -24 26 5  o 35.21116 6.601391 167.3711       56.76466 164.9284       87.22919 169.1654       74.76025 34.88580 9.884249 35.53652 8.753003 -0.6507225     13.20278 
1 1 1 -24 26 6  o 87.40092 3.797235 936.8079       79.62753 855.5746       104.6904 1048.305       122.6509 83.03352 5.211361 91.76832 5.524280 -8.734795      7.594469 
1 1 1 -24 26 7  o 48.34445 5.726462 320.8785       62.05477 234.9408       95.25552 384.2405       81.79237 41.38626 9.684985 55.30265 6.113143 -13.91639      11.45292 
1 1 1 -24 26 8  o 91.75869 3.414485 1046.702       75.68726 1018.353       109.0876 1073.015       105.0997 90.48232 4.983211 93.03506 4.669308 -2.552734      6.828969 
1 1 1 -24 26 9  o 42.26530 6.080625 239.3009       61.11612 304.2546       89.33398 182.1532       83.79424 48.39468 7.629864 36.13592 9.470014 12.25875       12.16125 
1 1 1 -24 26 10 f 53.71796 4.862803 371.3180       63.01969 411.9765       92.18636 335.6476       86.34659 56.53493 6.739808 50.90100 7.011591 5.633926       9.725606 
1 1 1 -24 26 11 o 75.74675 3.977206 725.2471       72.06665 887.3490       106.6359 588.9658       97.77491 83.71584 5.264941 67.77766 5.962639 15.93817       7.954412 
1 1 1 -24 26 12 o 46.80241 6.109775 310.5973       66.61007 307.0902       95.26609 313.9518       93.17059 46.40714 8.807155 47.19769 8.470620 -0.7905540     12.21955 
1 1 1 -24 26 13 o 76.56662 4.115860 764.8912       75.75912 656.2758       103.6087 889.6863       111.0579 70.48856 6.075408 82.64468 5.554336 -12.15613      8.231720 
1 1 1 -24 26 14 o 41.87854 7.220829 287.2150       72.08858 271.0875       96.13475 307.9340       108.9634 40.93763 9.830234 42.81945 10.57960 -1.881817      14.44166 
1 1 1 -24 28 3  o 49.62447 8.783096 376.1400       105.8030 418.2035       141.6997 323.1410       159.0560 53.76260 11.25500 45.48633 13.48689 8.276276       17.56619 
1 1 1 -24 28 4  o 26.23437 8.080527 -2.417022      97.75355 -78.40572      128.2707 102.8554       150.9769 21.48985 10.02764 30.97889 12.67383 -9.489042      16.16105 
1 1 1 -24 28 5  o 58.86131 7.168201 487.5738       98.22054 505.2945       130.5821 464.4854       149.0530 61.31697 8.802392 56.40565 11.31593 4.911312       14.33640 
1 1 1 -24 28 6  o 28.40964 8.430274 37.90876       104.3179 -74.30101      143.2330 164.6639       152.2337 22.72807 10.60239 34.09121 13.10982 -11.36313      16.86055 
1 1 1 -24 28 7  o 37.45412 9.186335 222.4592       104.7846 276.0262       142.6411 159.6669       154.4362 41.45159 12.87217 33.45666 13.10962 7.994934       18.37267 
1 1 1 -24 28 8  o 42.00372 9.451292 304.3476       110.7092 342.6532       142.4524 245.9250       175.9256 46.08669 12.47212 37.92076 14.20401 8.165928       18.90258 
1 1 1 -24 28 9  o 68.39609 8.101010 723.5178       124.0565 732.4212       155.9043 708.1498       204.8281 72.01214 8.948498 64.78003 13.50666 7.232109       16.20202 
1 1 1 -24 28 10 o 72.77908 6.879534 780.4078       120.3135 721.3563       159.3201 858.7745       183.5360 70.06176 9.399122 75.49639 10.04831 -5.434631      13.75907 
1 1 1 -24 28 11 o 45.71871 8.628368 419.3416       116.9740 596.6686       154.1619 178.7032       179.5859 60.36496 10.95941 31.07246 13.32990 29.29250       17.25674 
1 1 1 -23 1  1  o 954.4714 11.73719 110629.1       2710.271 110095.5       3813.028 111174.0       3853.091 952.1556 16.55235 956.7873 16.64530 -4.631714      23.47438 
1 1 1 -23 1  2  o 408.9621 5.229865 20160.24       515.7061 21271.41       768.3938 19249.49       695.6561 419.1638 7.577009 398.7604 7.210747 20.40338       10.45973 
1 1 1 -23 1  3  o 350.9708 4.558296 14907.69       387.0223 15045.04       551.8921 14774.78       542.8835 352.5605 6.470207 349.3810 6.422513 3.179474       9.116592 
1 1 1 -23 1  4  o 933.2744 13.23592 106444.8       2612.516 107082.7       3036.736 104628.2       5124.781 939.7448 13.35657 926.8040 22.85521 12.94080       26.47184 
1 1 1 -23 1  5  o 455.3572 6.606172 25431.45       642.8887 25805.79       753.1097 24425.94       1234.296 461.7364 6.741582 448.9781 11.36297 12.75827       13.21234 
1 1 1 -23 1  6  o 315.3534 4.840546 11774.12       310.9159 11557.22       352.8068 12528.26       657.8497 309.0469 4.718568 321.6599 8.453321 -12.61307      9.681091 
1 1 1 -23 1  7  o 401.0404 5.940135 19367.35       495.1030 19264.05       568.7236 19690.66       1006.148 398.9539 5.892182 403.1269 10.31615 -4.172943      11.88027 
1 1 1 -23 1  8  o 330.2386 5.006742 13099.47       342.7578 13002.08       393.0452 13408.69       700.3572 327.7731 4.956407 332.7042 8.700797 -4.931091      10.01348 
1 1 1 -23 1  9  o 74.77362 2.476830 641.0355       42.35790 575.9715       51.02625 785.2469       75.96671 68.99414 3.056885 80.55309 3.897973 -11.55895      4.953660 
1 1 1 -23 1  10 f 333.5135 4.367478 13394.19       350.8592 12661.04       470.2178 14315.11       527.0029 323.2920 6.011764 343.7350 6.337048 -20.44305      8.734957 
1 1 1 -23 1  11 o 319.5355 4.211616 12372.84       325.5702 12462.30       463.4875 12285.71       457.4239 320.6738 5.974098 318.3972 5.938097 2.276581       8.423232 
1 1 1 -23 1  12 o 255.2593 3.504998 7876.366       216.1268 7583.977       295.8467 8210.994       316.4959 250.1964 4.887463 260.3223 5.025212 -10.12595      7.009996 
1 1 1 -23 1  13 o 315.2466 4.175768 12049.52       318.4049 11877.92       444.2896 12230.73       456.5456 312.9450 5.868077 317.5481 5.942543 -4.603088      8.351536 
1 1 1 -23 1  14 o 259.1664 5.054430 8143.244       316.9225 8143.244       316.9225 0.000000       0.000000 259.1664 5.054430 ?        ?        ?              ?        
1 1 1 -23 3  1  o 222.8629 3.897114 5953.550       195.8934 5855.635       236.4637 6167.757       349.7508 219.9854 4.442918 225.7403 6.403941 -5.754883      7.794228 
1 1 1 -23 3  2  o 338.8533 5.078186 14099.66       368.3351 14337.25       432.1068 13468.17       704.4587 344.2061 5.188840 333.5005 8.730854 10.70554       10.15637 
1 1 1 -23 3  3  o 492.5549 7.082635 29927.97       752.3246 30612.67       887.9253 28185.60       1416.432 502.8775 7.298135 482.2324 12.14051 20.64508       14.16527 
1 1 1 -23 3  4  o 560.8205 8.072988 38264.57       954.8531 38425.40       1107.553 37798.93       1884.492 563.3600 8.125990 558.2809 13.95209 5.079102       16.14598 
1 1 1 -23 3  5  o 391.9648 5.781617 18774.89       481.3031 18967.54       561.2037 18239.14       935.8896 395.8863 5.859328 388.0433 9.968784 7.843048       11.56323 
1 1 1 -23 3  6  o 390.6472 5.773887 18565.64       475.8761 18658.12       552.1690 18298.63       938.2485 392.6387 5.812683 388.6556 9.978166 3.983063       11.54777 
1 1 1 -23 3  7  o 553.0696 8.034451 36697.41       916.8547 36354.25       1048.669 37810.83       1888.942 547.9302 7.910625 558.2089 13.98684 -10.27875      16.06890 
1 1 1 -23 3  8  o 257.6345 4.102333 7856.298       215.6417 7708.379       244.8534 8367.639       455.2479 252.3934 4.009830 262.8757 7.158059 -10.48232      8.204666 
1 1 1 -23 3  9  o 372.6603 5.606899 16523.01       426.7494 16264.66       485.1621 17406.31       897.0766 366.5193 5.471265 378.8014 9.788489 -12.28207      11.21380 
1 1 1 -23 3  10 o 158.7700 2.961169 3019.844       97.62289 2990.259       111.9676 3113.623       199.3482 157.1951 2.944090 160.3449 5.138718 -3.149857      5.922338 
1 1 1 -23 3  11 o 180.4110 3.182745 4013.676       121.9487 4095.524       142.5760 3790.601       235.3800 183.9491 3.203661 176.8729 5.500546 7.076126       6.365489 
1 1 1 -23 3  12 o 220.7010 3.614670 6114.371       173.9474 6423.890       208.3699 5402.736       315.9510 230.3357 3.739138 211.0664 6.187261 19.26933       7.229340 
1 1 1 -23 3  13 o 344.2888 4.502911 14383.18       375.0533 14292.09       526.9819 14476.67       533.8969 343.1878 6.346897 345.3897 6.389188 -2.201874      9.005821 
1 1 1 -23 3  14 f 83.45386 2.983788 843.1659       60.24439 843.1659       60.24439 0.000000       0.000000 83.45386 2.983788 ?        ?        ?              ?        
1 1 1 -23 3  15 o 253.1358 4.949926 7772.017       303.1479 7772.017       303.1479 0.000000       0.000000 253.1358 4.949926 ?        ?        ?              ?        
1 1 1 -23 5  1  o 524.7713 6.579837 33321.36       834.8051 32606.21       1154.909 34103.86       1208.070 518.8867 9.199682 530.6559 9.409721 -11.76929      13.15967 
1 1 1 -23 5  2  o 54.38662 3.379342 357.8668       44.46584 357.8668       44.46584 0.000000       0.000000 54.38662 3.379342 ?        ?        ?              ?        
1 1 1 -23 5  3  o 364.9993 4.741844 15933.87       414.9219 14798.08       544.2583 17510.07       641.1521 349.6616 6.433612 380.3371 6.967710 -30.67548      9.483688 
1 1 1 -23 5  4  o 488.6932 6.155518 28905.62       727.5067 28442.32       1012.119 29400.87       1046.438 484.6480 8.631834 492.7384 8.777986 -8.090454      12.31104 
1 1 1 -23 5  5  o 233.4257 3.290024 6579.062       185.5382 6854.219       271.3628 6337.507       254.2535 237.9981 4.712751 228.8533 4.592058 9.144760       6.580048 
1 1 1 -23 5  6  o 641.8409 7.975942 49893.79       1237.723 50978.94       1789.947 48899.49       1713.373 648.5084 11.40833 635.1734 11.14955 13.33502       15.95188 
1 1 1 -23 5  7  o 152.0922 2.518886 2795.172       92.62335 2692.646       128.1793 2907.208       133.9924 149.1775 3.551504 155.0069 3.572949 -5.829453      5.037772 
1 1 1 -23 5  8  o 143.2133 2.469070 2481.456       85.54140 2456.809       119.9522 2506.960       122.0220 142.4899 3.479539 143.9366 3.504004 -1.446655      4.938141 
1 1 1 -23 5  9  o 165.4247 2.634377 3310.775       105.4135 3247.310       147.3322 3377.338       150.8856 163.8012 3.717732 167.0481 3.733395 -3.246902      5.268754 
1 1 1 -23 5  10 o 66.06822 2.213891 527.7385       35.36671 504.1283       49.19497 552.9935       50.87973 64.54021 3.150562 67.59623 3.111143 -3.056015      4.427782 
1 1 1 -23 5  11 o 68.34674 3.118376 565.4039       51.56424 0.000000       0.000000 565.4039       51.56424 ?        ?        68.34674 3.118376 ?              ?        
1 1 1 -23 5  12 o 255.5088 3.518759 7892.780       217.1784 8233.099       318.1909 7595.961       297.1598 260.6468 5.045834 250.3708 4.905735 10.27605       7.037519 
1 1 1 -23 5  13 o 116.5456 2.273192 1638.839       63.98591 1754.156       93.77215 1538.365       87.52953 120.3687 3.220016 112.7224 3.209534 7.646271       4.546384 
1 1 1 -23 5  14 o 158.1456 3.178075 3056.915       115.2977 3114.204       142.7564 2949.435       195.5333 160.3450 3.679915 155.9461 5.182554 4.398911       6.356150 
1 1 1 -23 5  15 o 98.18724 3.115095 1167.563       73.99948 1167.563       73.99948 0.000000       0.000000 98.18724 3.115095 ?        ?        ?              ?        
1 1 1 -23 5  16 f 146.6318 3.462461 2606.239       122.8331 2606.239       122.8331 0.000000       0.000000 146.6318 3.462461 ?        ?        ?              ?        
1 1 1 -23 5  17 o 201.2571 4.186857 4921.052       203.8646 4921.052       203.8646 0.000000       0.000000 201.2571 4.186857 ?        ?        ?              ?        
1 1 1 -23 7  1  o 825.6647 12.66808 80668.38       2296.979 88090.42       4350.767 77800.19       2704.630 850.5272 21.14342 800.8022 13.95984 49.72498       25.33617 
1 1 1 -23 7  2  o 647.2831 8.051446 50757.82       1260.373 50041.79       1753.386 51523.36       1812.980 642.5735 11.27853 651.9927 11.49339 -9.419189      16.10289 
1 1 1 -23 7  3  o 455.9081 5.785160 25153.93       637.7905 24721.48       885.3557 25620.45       919.5604 451.8418 8.098956 459.9745 8.263124 -8.132721      11.57032 
1 1 1 -23 7  4  o 594.5150 7.426324 42802.98       1067.604 42051.60       1481.303 43615.15       1540.051 589.0997 10.39329 599.9304 10.61041 -10.83069      14.85265 
1 1 1 -23 7  5  o 457.6820 5.799554 25350.35       641.8099 25883.08       926.9384 24859.75       889.5297 462.2919 8.287665 453.0721 8.115044 9.219879       11.59911 
1 1 1 -23 7  6  o 197.5469 2.954375 4717.486       141.1190 4865.765       203.8682 4581.079       195.5371 200.5238 4.202243 194.5701 4.153851 5.953781       5.908750 
1 1 1 -23 7  7  o 626.3536 7.800260 47568.24       1181.286 48609.62       1707.601 46612.48       1635.886 632.9014 11.15188 619.8059 10.90926 13.09552       15.60052 
1 1 1 -23 7  8  o 505.9394 6.383945 31053.60       781.4283 31119.90       1105.064 30987.28       1105.149 506.4811 9.018240 505.3976 9.038274 1.083527       12.76789 
1 1 1 -23 7  9  f 484.7070 6.131106 28500.05       718.5962 29069.68       1036.976 27973.80       996.7163 489.3463 8.758911 480.0677 8.581570 9.278503       12.26221 
1 1 1 -23 7  10 o 265.4161 3.631974 8533.297       233.2015 8460.302       327.0866 8608.762       332.5753 264.2634 5.115916 266.5688 5.156777 -2.305389      7.263948 
1 1 1 -23 7  11 o 192.5934 2.902907 4492.065       135.2619 4505.503       191.3564 4478.645       191.2223 192.8815 4.100625 192.3053 4.110031 0.5762634      5.805814 
1 1 1 -23 7  12 o 130.5985 2.412301 2059.656       76.11430 1959.857       104.3588 2173.083       111.2557 127.2281 3.390344 133.9689 3.432544 -6.740822      4.824602 
1 1 1 -23 7  13 o 265.5453 3.640313 8540.561       233.7015 8785.744       338.5006 8317.250       323.0483 269.1770 5.197794 261.9137 5.098084 7.263367       7.280627 
1 1 1 -23 7  14 o 150.5339 2.552574 2744.649       92.95718 2766.031       132.4381 2723.887       130.5058 151.1110 3.622553 149.9568 3.597173 1.154160       5.105149 
1 1 1 -23 7  15 o 218.3606 4.456107 5783.557       235.4140 0.000000       0.000000 5783.557       235.4140 ?        ?        218.3606 4.456107 ?              ?        
1 1 1 -23 7  16 o 312.7256 4.168652 11908.50       315.3160 11729.80       439.8118 12097.50       452.2988 310.3261 5.857958 315.1250 5.932534 -4.798859      8.337303 
1 1 1 -23 7  17 o 49.31072 5.678959 296.9661       67.75048 296.9661       67.75048 0.000000       0.000000 49.31072 5.678959 ?        ?        ?              ?        
1 1 1 -23 7  18 o 137.2780 3.380608 2291.497       112.2789 2291.497       112.2789 0.000000       0.000000 137.2780 3.380608 ?        ?        ?              ?        
1 1 1 -23 7  19 f 139.4709 3.362052 2369.840       113.4463 2369.840       113.4463 0.000000       0.000000 139.4709 3.362052 ?        ?        ?              ?        
1 1 1 -23 9  1  o 464.9006 5.908023 26138.93       663.7620 26999.30       967.0222 25372.45       912.7310 472.1149 8.466160 457.6863 8.242759 14.42862       11.81605 
1 1 1 -23 9  2  o 434.7783 5.545290 22831.74       582.0783 22001.83       792.8057 23802.27       857.3431 426.2396 7.687951 443.3169 7.993519 -17.07730      11.09058 
1 1 1 -23 9  3  o 523.3644 6.576250 33105.63       831.0145 31945.62       1132.759 34457.56       1222.872 513.4786 9.118277 533.2502 9.478676 -19.77161      13.15250 
1 1 1 -23 9  4  o 527.7928 6.636991 33754.75       847.3694 33433.11       1186.191 34089.94       1210.914 525.2311 9.334736 530.3546 9.437230 -5.123474      13.27398 
1 1 1 -23 9  5  o 208.9904 3.806336 5311.176       182.4033 5212.374       311.0710 5362.948       225.1776 207.4776 6.197064 210.5031 4.421446 -3.025497      7.612673 
1 1 1 -23 9  6  o 515.9642 6.494055 32286.67       810.6055 32510.48       1154.337 32068.93       1138.564 517.7234 9.215789 514.2051 9.152061 3.518372       12.98811 
1 1 1 -23 9  7  o 350.2818 5.580242 15050.87       453.5289 15517.38       570.9772 14253.42       746.5226 357.8502 6.595005 342.7134 9.003461 15.13678       11.16048 
1 1 1 -23 9  8  o 247.6305 6.890061 7434.860       412.7902 0.000000       0.000000 7434.860       412.7902 ?        ?        247.6305 6.890061 ?              ?        
1 1 1 -23 9  9  o 119.6501 3.388835 1732.936       98.09930 0.000000       0.000000 1732.936       98.09930 ?        ?        119.6501 3.388835 ?              ?        
1 1 1 -23 9  10 o 155.1149 2.597075 2912.412       97.44627 2872.906       136.2694 2953.757       139.4038 154.0393 3.656491 156.1906 3.689075 -2.151276      5.194150 
1 1 1 -23 9  11 o 40.14369 3.245215 198.1578       30.98950 233.8915       43.14911 160.0913       44.53531 43.94401 4.058540 36.34337 5.064971 7.600636       6.490429 
1 1 1 -23 9  12 f 219.3293 3.192001 5825.850       169.3203 5961.756       243.4405 5698.494       235.6592 221.8037 4.536509 216.8549 4.491723 4.948822       6.384002 
1 1 1 -23 9  13 o 181.9499 2.845122 4010.129       125.2273 4081.296       178.8074 3941.620       175.4370 183.5337 4.026869 180.3662 4.020350 3.167480       5.690245 
1 1 1 -23 9  14 o 18.89565 4.227468 19.30845       28.49220 86.95851       40.70543 -45.67439      39.89492 26.22809 6.457829 11.56321 5.457325 14.66488       8.454937 
1 1 1 -23 9  15 o 200.9163 4.251260 4898.525       206.6499 0.000000       0.000000 4898.525       206.6499 ?        ?        200.9163 4.251260 ?              ?        
1 1 1 -23 9  16 o 51.24583 2.631526 318.8061       32.60907 317.2267       46.82122 320.2938       45.44207 51.11954 3.785764 51.37212 3.656186 -0.2525711     5.263051 
1 1 1 -23 9  17 o 64.98761 3.374539 513.0845       53.05755 513.0845       53.05755 0.000000       0.000000 64.98761 3.374539 ?        ?        ?              ?        
1 1 1 -23 9  18 o 60.70343 2.256190 452.6838       32.77255 385.0183       47.11232 516.1264       45.61853 56.23458 3.462811 65.17228 2.893184 -8.937702      4.512380 
1 1 1 -23 9  19 o 99.61499 3.181831 1203.466       76.20914 1361.095       115.7703 1082.927       101.2377 105.2879 4.544816 93.94209 4.454304 11.34579       6.363661 
1 1 1 -23 9  20 o 31.60336 4.195124 122.9333       32.07601 122.9333       32.07601 0.000000       0.000000 31.60336 4.195124 ?        ?        ?              ?        
1 1 1 -23 11 1  o 617.9332 7.726167 46376.66       1155.000 46643.47       1644.121 46116.69       1622.920 619.6786 10.96642 616.1879 10.88633 3.490784       15.45233 
1 1 1 -23 11 2  o 371.7616 4.837446 16709.38       434.4037 16147.85       594.4123 17353.07       636.4156 365.0817 6.729696 378.4415 6.950881 -13.35980      9.674892 
1 1 1 -23 11 3  o 317.2564 4.230219 12188.39       324.6419 12058.05       454.1877 12324.54       464.2022 315.5248 5.949761 318.9880 6.014929 -3.463226      8.460439 
1 1 1 -23 11 4  o 454.7452 5.805055 24906.54       635.1476 23537.82       846.4492 26670.26       960.8582 440.5831 7.940918 468.9073 8.469738 -28.32419      11.61011 
1 1 1 -23 11 5  o 298.7095 4.018927 10790.42       290.1039 10453.55       398.7129 11169.39       422.8917 293.7689 5.609862 303.6501 5.756434 -9.881165      8.037853 
1 1 1 -23 11 6  o 316.1634 4.205277 12102.92       321.4868 12384.09       464.2228 11843.81       445.6479 319.6841 6.002099 312.6427 5.891709 7.041412       8.410555 
1 1 1 -23 11 7  o 145.8920 2.576272 2576.616       90.92551 2575.756       129.4560 2577.453       127.7374 145.8673 3.668276 145.9168 3.618349 -0.4948425E-01 5.152543 
1 1 1 -23 11 8  o 124.3514 3.505735 1871.980       105.4708 1871.980       105.4708 0.000000       0.000000 124.3514 3.505735 ?        ?        ?              ?        
1 1 1 -23 11 9  o 325.1948 4.303985 12824.50       338.6042 12729.83       475.8043 12921.65       481.9727 323.9811 6.070246 326.4084 6.103216 -2.427277      8.607969 
1 1 1 -23 11 10 o 145.5785 3.072734 2514.049       101.8173 2416.182       123.3428 2723.379       180.3902 141.2569 3.609125 149.9001 4.974033 -8.643250      6.145469 
1 1 1 -23 11 11 o 103.2255 3.038138 1285.716       70.32381 1305.176       126.2877 1276.970       84.66522 103.7590 5.030754 102.6921 3.407733 1.066833       6.076276 
1 1 1 -23 11 12 o 244.2966 3.457844 7236.255       204.3706 7269.630       290.0162 7203.333       288.0414 244.8555 4.895646 243.7377 4.884609 1.117798       6.915689 
1 1 1 -23 11 13 o 216.7491 3.186235 5696.831       167.0849 5696.375       236.4015 5697.286       236.1862 216.7402 4.508255 216.7580 4.503778 -0.1783752E-01 6.372470 
1 1 1 -23 11 14 o 61.87320 2.812586 463.9698       42.08667 481.5950       60.35550 447.2883       58.71740 63.01692 3.958744 60.72947 3.996363 2.287449       5.625173 
1 1 1 -23 11 15 o 122.1780 2.476500 1810.322       73.19344 1852.098       104.3686 1769.892       102.6745 123.5657 3.491159 120.7902 3.513406 2.775505       4.953001 
1 1 1 -23 11 16 o 88.29588 2.427004 941.4489       51.69893 1033.995       76.43537 863.4091       70.18989 92.27390 3.423838 84.31788 3.440746 7.956017       4.854009 
1 1 1 -23 11 17 o 74.37978 2.958283 661.8611       49.50068 710.2915       89.45325 640.4852       59.42915 76.19554 4.852486 72.56402 3.385134 3.631523       5.916566 
1 1 1 -23 11 18 o 126.1216 3.422920 1938.825       104.4452 0.000000       0.000000 1938.825       104.4452 ?        ?        126.1216 3.422920 ?              ?        
1 1 1 -23 11 20 o 16.38166 3.928057 31.98343       18.56108 22.67360       30.66899 37.36425       23.31594 15.56197 5.908003 17.20134 5.178226 -1.639372      7.856114 
1 1 1 -23 13 1  o 192.0081 3.000551 4463.728       139.3827 4509.096       197.9867 4419.147       196.2583 192.9754 4.240643 191.0407 4.246193 1.934708       6.001101 
1 1 1 -23 13 2  o 275.9248 3.796787 9207.740       253.1646 8906.021       347.9309 9547.218       369.0601 271.1346 5.304028 280.7150 5.434120 -9.580383      7.593574 
1 1 1 -23 13 3  o 279.4122 3.834332 9425.467       258.5886 9934.679       382.0671 8995.039       351.2699 286.3438 5.515052 272.4807 5.328473 13.86304       7.668665 
1 1 1 -23 13 4  o 433.4501 5.556594 22803.31       582.6541 22643.46       817.4749 22968.36       830.6785 431.9129 7.823046 434.9872 7.893220 -3.074310      11.11319 
1 1 1 -23 13 5  o 77.53227 2.785639 725.3986       52.15331 789.1701       76.12350 668.9867       71.59634 80.73363 3.897283 74.33091 3.981246 6.402725       5.571278 
1 1 1 -23 13 6  f 124.7515 2.565525 1881.670       77.37234 1985.733       111.5950 1785.339       107.3694 128.0692 3.601617 121.4337 3.654591 6.635513       5.131051 
1 1 1 -23 13 7  o 415.3943 5.338264 20953.58       536.4424 21123.08       764.9008 20789.52       752.5384 417.0404 7.580968 413.7482 7.517791 3.292206       10.67653 
1 1 1 -23 13 8  o 201.6175 4.331293 4924.269       211.2750 0.000000       0.000000 4924.269       211.2750 ?        ?        201.6175 4.331293 ?              ?        
1 1 1 -23 13 9  o 257.9219 3.606282 8062.361       224.9971 8174.161       321.8303 7955.476       314.6780 259.6680 5.122785 256.1759 5.077219 3.492126       7.212564 
1 1 1 -23 13 10 o 90.91455 2.622528 999.3160       57.62686 1061.085       83.39426 942.8655       79.72303 93.59937 3.682654 88.22974 3.734793 5.369629       5.245057 
1 1 1 -23 13 11 o 185.2569 2.943416 4148.816       131.7536 4366.695       192.3730 3956.324       180.8188 189.8247 4.188797 180.6890 4.136275 9.135620       5.886832 
1 1 1 -23 13 13 o 113.4767 2.581088 1560.287       70.84231 1523.739       98.80661 1598.950       101.6252 112.1105 3.642818 114.8430 3.657585 -2.732491      5.162175 
1 1 1 -23 13 14 o 20.97228 5.541059 40.68802       37.97770 31.10461       55.74072 48.99102       51.88364 20.25042 7.892169 21.69414 7.779912 -1.443720      11.08212 
1 1 1 -23 13 15 o 100.2237 2.564017 1216.729       62.05824 1323.941       90.28041 1120.692       85.44620 104.4033 3.574186 96.04423 3.677216 8.359039       5.128033 
1 1 1 -23 13 16 o 39.15704 4.344003 179.9220       38.03672 299.3327       61.79903 107.0979       48.26112 49.44306 5.166234 28.87103 6.985089 20.57203       8.688005 
1 1 1 -23 13 17 o 83.17863 2.696759 828.0928       53.68177 960.3470       83.77177 735.9449       69.92547 88.68722 3.904220 77.67004 3.721170 11.01718       5.393519 
1 1 1 -23 13 18 o 64.56375 2.955445 511.7740       45.59211 508.5038       70.06634 514.1754       60.04212 64.31281 4.503080 64.81470 3.828954 -0.5018845     5.910890 
1 1 1 -23 13 19 o 66.98425 2.806030 553.6652       44.92070 540.8485       68.64191 563.2658       59.40866 66.21105 4.285056 67.75744 3.624019 -1.546387      5.612060 
1 1 1 -23 13 20 o 58.42855 3.898447 422.1089       55.10856 0.000000       0.000000 422.1089       55.10856 ?        ?        58.42855 3.898447 ?              ?        
1 1 1 -23 15 1  o 542.0896 6.859392 35783.98       899.6161 35918.51       1274.150 35650.25       1270.357 543.1069 9.696898 541.0723 9.704391 2.034668       13.71878 
1 1 1 -23 15 2  o 148.4258 2.736044 2664.625       98.19233 2567.001       136.1403 2770.476       141.7599 145.5958 3.864877 151.2558 3.873819 -5.659988      5.472088 
1 1 1 -23 15 3  o 111.5161 2.645436 1505.085       71.35377 1459.445       99.72315 1552.964       102.1391 109.7843 3.754512 113.2479 3.727862 -3.463577      5.290871 
1 1 1 -23 15 4  o 166.1053 2.814961 3340.815       113.1134 3287.877       158.6544 3395.541       161.3118 164.7674 3.979959 167.4433 3.981952 -2.675903      5.629921 
1 1 1 -23 15 5  o 226.5770 3.316048 6219.511       181.7603 6148.563       254.9423 6292.852       259.2065 225.2640 4.677866 227.8900 4.701304 -2.625946      6.632095 
1 1 1 -23 15 6  o 140.3870 3.784588 2386.816       128.5428 0.000000       0.000000 2386.816       128.5428 ?        ?        140.3870 3.784588 ?              ?        
1 1 1 -23 15 7  o 19.97417 5.402925 19.68797       39.65350 65.51183       56.70665 -24.16034      55.47082 24.11167 8.165355 15.83667 7.077667 8.275002       10.80585 
1 1 1 -23 15 8  o 149.9609 2.726361 2724.090       98.91157 2732.460       139.4033 2715.604       140.3658 150.1939 3.836354 149.7279 3.874862 0.4659882      5.452721 
1 1 1 -23 15 9  o 219.2943 3.240483 5826.987       171.8807 5935.696       246.5314 5724.166       239.7619 221.2814 4.604951 217.3072 4.560410 3.974274       6.480966 
1 1 1 -23 15 10 o 188.4667 3.009241 4305.487       137.2112 4293.809       193.5240 4317.292       194.5722 188.2103 4.250002 188.7232 4.261408 -0.5129395     6.018482 
1 1 1 -23 15 11 f 152.4167 2.787197 2808.026       102.6199 2666.310       140.4741 2970.204       150.2738 148.3071 3.915004 156.5262 3.968202 -8.219193      5.574395 
1 1 1 -23 15 12 o 104.4691 2.661096 1322.212       67.21957 1383.421       96.80065 1265.210       93.41537 106.8027 3.746222 102.1354 3.780416 4.667320       5.322192 
1 1 1 -23 15 13 o 99.64026 2.665756 1204.557       64.23759 1221.611       92.37965 1188.591       89.38566 100.3196 3.806170 98.96091 3.733377 1.358696       5.331513 
1 1 1 -23 15 14 o 96.09225 2.724914 1119.603       63.23853 1170.947       92.84660 1075.173       86.36981 98.13477 3.910576 94.04973 3.795790 4.085037       5.449828 
1 1 1 -23 15 15 o 116.5122 3.656814 1652.358       103.0805 0.000000       0.000000 1652.358       103.0805 ?        ?        116.5122 3.656814 ?              ?        
1 1 1 -23 15 16 o 59.77815 3.296584 432.4917       47.26538 479.4394       72.90359 398.4492       62.08005 62.51462 4.820200 57.04169 4.498393 5.472935       6.593168 
1 1 1 -23 15 17 o 55.82547 3.521554 389.9681       45.53098 363.5979       74.76884 405.5104       57.40137 54.13591 5.708643 57.51503 4.125140 -3.379116      7.043109 
1 1 1 -23 15 18 o 26.43707 5.638309 94.35477       39.74574 62.19044       66.55217 112.1864       49.55310 23.72538 8.765842 29.14877 7.093808 -5.423395      11.27662 
1 1 1 -23 15 19 o 31.16850 5.808088 131.0155       42.96852 138.5221       72.86470 127.0133       53.20387 31.59349 9.061822 30.74350 7.267663 0.8499889      11.61618 
1 1 1 -23 15 20 o 34.39396 7.198987 165.0779       61.60136 226.1749       106.5972 134.4438       75.48120 38.31823 10.95099 30.46969 9.347589 7.848541       14.39797 
1 1 1 -23 17 1  o 100.5219 2.846060 1224.056       69.21483 1226.024       98.21786 1222.115       97.55460 100.6018 4.035360 100.4420 4.014485 0.1597748      5.692120 
1 1 1 -23 17 2  o 157.0969 2.854456 2989.356       108.4836 2941.935       152.6403 3037.758       154.2098 155.8374 4.048509 158.3563 4.025077 -2.518875      5.708911 
1 1 1 -23 17 3  o 248.6408 3.560472 7490.740       214.1014 7650.946       307.9841 7340.913       297.8409 251.2085 5.067474 246.0731 5.002853 5.135406       7.120944 
1 1 1 -23 17 4  o 164.5271 2.866458 3278.065       114.0763 3344.043       163.3560 3215.264       159.3743 166.1417 4.064003 162.9125 4.043539 3.229279       5.732916 
1 1 1 -23 17 5  o 277.2259 3.846456 9317.008       257.8787 9518.625       371.3037 9129.132       358.4281 280.1158 5.478848 274.3360 5.400289 5.779877       7.692913 
1 1 1 -23 17 6  o 83.44038 4.165048 843.6497       84.08114 0.000000       0.000000 843.6497       84.08114 ?        ?        83.44038 4.165048 ?              ?        
1 1 1 -23 17 7  o 106.5985 2.789658 1376.785       71.94238 1370.964       101.1801 1382.736       102.3132 106.3712 3.931592 106.8258 3.958705 -0.4545135     5.579316 
1 1 1 -23 17 8  o 183.0582 2.992299 4052.481       132.3615 4275.413       193.0015 3854.525       181.8689 187.7984 4.247824 178.3181 4.215614 9.480377       5.984597 
1 1 1 -23 17 9  o 103.8071 2.782099 1304.022       69.76054 1412.467       100.7944 1204.315       96.64875 107.9465 3.859451 99.66773 4.008108 8.278725       5.564197 
1 1 1 -23 17 10 o 121.7209 2.782732 1797.450       81.92876 1836.363       115.6122 1758.195       116.1190 123.0488 3.883506 120.3930 3.986575 2.655830       5.565465 
1 1 1 -23 17 11 o 136.5951 2.751170 2264.485       90.91455 2288.789       128.5129 2240.136       128.6324 137.3314 3.867895 135.8588 3.913455 1.472626       5.502339 
1 1 1 -23 17 12 o 63.29458 3.547614 490.6201       54.03455 446.3925       77.94544 531.5399       74.97393 60.50578 5.324656 66.08339 4.689383 -5.577614      7.095229 
1 1 1 -23 17 13 o 59.01686 3.680339 419.4184       52.16028 486.2657       79.61143 369.1400       69.04369 63.07499 5.216941 54.95873 5.192602 8.116257       7.360679 
1 1 1 -23 17 14 o 79.49197 3.143435 764.1733       60.09974 888.5242       89.87751 663.6015       80.82857 85.29786 4.355225 73.68608 4.533954 11.61178       6.286869 
1 1 1 -23 17 15 o 64.25996 3.562206 506.1935       55.13340 522.0805       82.46043 493.3501       74.14207 65.12874 5.233240 63.39118 4.834299 1.737560       7.124412 
1 1 1 -23 17 16 o 72.40472 3.197079 634.2590       55.49828 725.5984       85.81039 568.5791       72.76572 76.78770 4.618978 68.02174 4.421573 8.765961       6.394159 
1 1 1 -23 17 17 o 73.86165 3.270289 659.5958       57.70816 776.5471       90.78033 580.2865       74.75688 79.19170 4.738161 68.53159 4.508770 10.66011       6.540579 
1 1 1 -23 17 18 o 28.07591 5.927756 111.1807       46.18470 53.22350       76.26813 144.7395       58.03541 23.37246 9.195772 32.77935 7.482711 -9.406895      11.85551 
1 1 1 -23 17 19 o 32.00940 6.279880 136.9741       49.52752 196.1087       82.29320 103.3901       62.01675 36.80112 9.252524 27.21767 8.493430 9.583450       12.55976 
1 1 1 -23 17 20 o 25.05687 7.434118 72.61411       74.82207 38.82213       132.8731 88.30458       90.54168 24.61977 10.98206 25.49397 10.02292 -0.8741970     14.86824 
1 1 1 -23 19 1  o 171.9771 2.977581 3580.967       123.8170 3722.010       178.7584 3450.897       171.6643 175.2279 4.216586 168.7264 4.205277 6.501541       5.955162 
1 1 1 -23 19 2  o 37.54803 5.723903 178.0910       50.37315 182.8716       73.92903 173.9482       68.82165 38.00516 8.274872 37.09090 7.910672 0.9142609      11.44781 
1 1 1 -23 19 3  o 94.82645 3.019152 1088.489       69.15737 1177.791       99.73003 1005.769       95.98407 98.57159 4.181883 91.08129 4.355798 7.490303       6.038304 
1 1 1 -23 19 4  o 90.76103 3.048193 998.7811       66.92742 1015.563       94.73517 982.0597       94.56441 91.52373 4.278339 89.99834 4.343010 1.525383       6.096386 
1 1 1 -23 19 5  o 139.9432 2.840701 2372.645       96.14849 2296.001       134.2628 2453.326       137.7534 137.6237 4.032370 142.2628 4.002289 -4.639175      5.681402 
1 1 1 -23 19 6  o 142.4411 4.004347 2460.001       137.9969 0.000000       0.000000 2460.001       137.9969 ?        ?        142.4411 4.004347 ?              ?        
1 1 1 -23 19 7  o 110.1608 3.411833 1447.770       88.13713 1374.344       110.4578 1576.443       146.2237 106.4279 4.289814 113.8937 5.306590 -7.465820      6.823665 
1 1 1 -23 19 8  o 126.6116 2.773027 1944.025       84.87840 1839.994       118.7482 2052.696       121.3670 123.1438 3.985770 130.0794 3.856469 -6.935631      5.546054 
1 1 1 -23 19 9  o 102.5261 2.868196 1273.357       71.04321 1331.288       103.9318 1222.549       97.33301 104.7054 4.102773 100.3468 4.009170 4.358589       5.736392 
1 1 1 -23 19 10 o 198.7895 3.138786 4806.486       150.9509 4766.324       212.1881 4847.639       214.7894 197.9508 4.430589 199.6281 4.447223 -1.677261      6.277572 
1 1 1 -23 19 11 o 138.6539 2.845141 2333.176       95.31683 2471.534       139.0662 2210.589       130.9007 142.5187 4.033179 134.7890 4.014073 7.729660       5.690283 
1 1 1 -23 19 12 o 36.88464 5.980092 174.4440       51.94962 195.3912       78.82055 158.3560       69.07584 38.81318 8.618300 34.95610 8.292822 3.857086       11.96018 
1 1 1 -23 19 13 o 78.65393 3.219055 749.5839       60.81647 820.5011       93.02462 696.6473       80.37112 81.83969 4.698201 75.46816 4.401837 6.371529       6.438110 
1 1 1 -23 19 14 o 124.2096 2.873497 1877.824       86.10899 2034.253       127.6616 1747.246       116.6368 128.9197 4.092970 119.4994 4.034294 9.420258       5.746993 
1 1 1 -23 19 15 o 40.43527 5.537737 203.2979       52.48257 291.1900       82.70604 144.0470       67.90630 48.00002 7.121861 32.87052 8.482055 15.12951       11.07547 
1 1 1 -23 19 16 o 64.80936 3.703495 511.0562       56.28665 575.1425       93.82259 475.0216       70.35345 67.71682 5.726755 61.90189 4.697635 5.814934       7.406990 
1 1 1 -23 19 17 o 51.98579 4.602899 344.5883       56.90618 359.0071       89.69662 334.8753       73.61914 52.63551 7.043605 51.33606 5.927423 1.299450       9.205797 
1 1 1 -23 19 18 o 66.36306 6.090812 570.5125       97.79212 570.5125       97.79212 0.000000       0.000000 66.36306 6.090812 ?        ?        ?              ?        
1 1 1 -23 19 19 o 29.48951 6.498509 137.3440       56.54109 64.14301       89.47758 186.0027       72.95173 23.67736 9.729840 35.30165 8.617002 -11.62430      12.99702 
1 1 1 -23 21 1  o 96.41773 3.004356 1129.033       70.04003 1082.478       98.96078 1175.759       99.14259 94.41865 4.332145 98.41682 4.163788 -3.998169      6.008712 
1 1 1 -23 21 2  o 168.1241 2.985965 3427.447       121.3811 3589.106       174.8821 3277.180       168.6073 171.9475 4.203849 164.3006 4.241652 7.646912       5.971931 
1 1 1 -23 21 3  o 65.59143 3.692171 524.1971       58.47155 488.6931       83.04429 559.1038       82.34270 63.37139 5.416444 67.81146 5.019029 -4.440071      7.384343 
1 1 1 -23 21 4  o 93.43705 3.005522 1060.142       67.92923 1059.162       97.00353 1061.085       95.15599 93.39111 4.293187 93.48299 4.207278 -0.9188843E-01 6.011044 
1 1 1 -23 21 5  f 121.8978 2.835170 1800.638       83.53516 1897.192       121.1758 1713.199       115.3151 125.0063 4.006654 118.7894 4.012417 6.216858       5.670341 
1 1 1 -23 21 6  o 111.7590 2.868197 1503.934       77.17494 1722.769       114.9603 1324.403       104.1259 119.1031 3.989538 104.4148 4.121871 14.68828       5.736395 
1 1 1 -23 21 7  o 124.0883 2.835068 1868.664       85.00722 1919.735       123.9470 1823.308       116.8072 125.6774 4.076396 122.4993 3.941248 3.178139       5.670135 
1 1 1 -23 21 8  f 112.5327 2.952932 1539.115       80.32435 1633.479       115.5926 1451.000       111.6990 115.8726 4.123319 109.1928 4.228177 6.679802       5.905864 
1 1 1 -23 21 9  o 92.03233 3.151500 1032.134       69.84986 1170.107       100.6610 903.9999       97.00558 97.99441 4.245783 86.07025 4.658449 11.92416       6.303001 
1 1 1 -23 21 10 o 130.6178 2.898942 2071.278       91.39474 2266.619       134.2622 1902.600       124.7633 136.3385 4.070362 124.8972 4.128875 11.44125       5.797884 
1 1 1 -23 21 11 o 33.09084 6.382150 142.0301       51.97131 151.4067       80.53109 135.3375       68.03587 33.97931 9.451730 32.20236 8.578587 1.776947       12.76430 
1 1 1 -23 21 12 o 114.4254 2.953307 1597.581       81.54099 1670.132       120.7080 1536.686       110.5882 116.7760 4.272480 112.0748 4.078481 4.701271       5.906614 
1 1 1 -23 21 13 o 42.56501 5.643844 235.6577       55.32526 228.3013       88.43388 240.3885       70.91758 41.35204 9.087328 43.77798 6.695698 -2.425941      11.28769 
1 1 1 -23 21 14 o 78.98140 3.555278 770.4266       67.77889 831.4270       99.97936 718.5496       92.20018 81.85300 5.048629 76.10979 5.007131 5.743210       7.110556 
1 1 1 -23 21 15 o 56.06520 4.646156 395.7350       61.64242 521.5244       92.47343 295.1419       82.69497 64.24594 5.949342 47.88445 7.138095 16.36149       9.292313 
1 1 1 -23 21 16 o 26.08897 6.802152 85.29640       57.30830 58.46760       90.39672 103.3251       74.10280 24.57499 9.896931 27.60296 9.334229 -3.027969      13.60430 
1 1 1 -23 21 17 o 17.15090 5.687851 -57.21479      59.41698 -85.15476      92.73383 -37.75632      77.38907 17.08208 8.136882 17.21972 7.949701 -0.1376343     11.37570 
1 1 1 -23 21 18 o 44.39298 6.604692 313.0763       69.47327 231.4529       104.7736 377.1246       92.81066 36.86836 10.94950 51.91759 7.388920 -15.04923      13.20938 
1 1 1 -23 23 1  o 124.2073 4.193933 1878.456       126.0292 1878.456       126.0292 0.000000       0.000000 124.2073 4.193933 ?        ?        ?              ?        
1 1 1 -23 23 2  o 82.86938 3.244224 829.5153       64.74500 931.6409       97.10973 747.7911       86.87011 87.41847 4.591528 78.32028 4.584520 9.098190       6.488448 
1 1 1 -23 23 3  o 88.31523 3.166013 942.4889       67.30944 1082.963       100.1767 826.8763       90.88066 94.27554 4.392032 82.35493 4.561205 11.92061       6.332025 
1 1 1 -23 23 4  o 164.7883 4.232733 3308.103       168.7522 3308.103       168.7522 0.000000       0.000000 164.7883 4.232733 ?        ?        ?              ?        
1 1 1 -23 23 5  o 66.64439 3.612701 539.5141       57.95954 579.1100       87.41647 508.4528       77.42444 68.79095 5.252423 64.49783 4.961701 4.293114       7.225402 
1 1 1 -23 23 6  o 81.75950 3.190276 798.8722       62.39563 981.1739       96.17677 666.3778       81.99236 89.65583 4.433935 73.86317 4.588209 15.79266       6.380552 
1 1 1 -23 23 7  o 41.53134 5.736848 217.8645       54.57639 246.0267       87.60008 199.9987       69.77223 43.58965 8.611941 39.47302 7.581569 4.116631       11.47370 
1 1 1 -23 23 8  o 111.9665 3.019863 1533.720       81.69873 1499.024       117.7459 1565.931       113.4526 110.7100 4.395989 113.2231 4.141686 -2.513100      6.039726 
1 1 1 -23 23 9  o 135.9079 4.097274 2258.468       134.7230 0.000000       0.000000 2258.468       134.7230 ?        ?        135.9079 4.097274 ?              ?        
1 1 1 -23 23 10 o 128.8167 2.966872 2013.149       91.99036 2301.702       137.8229 1781.324       123.5348 137.0746 4.155871 120.5589 4.235333 16.51574       5.933743 
1 1 1 -23 23 11 o 105.9778 3.094528 1368.378       78.92484 1578.105       117.6431 1196.724       106.4305 113.3284 4.290673 98.62715 4.460331 14.70124       6.189057 
1 1 1 -23 23 12 o 41.19783 6.131941 227.8966       59.13732 226.1252       85.54177 229.5182       81.84618 40.94737 8.889672 41.44828 8.448463 -0.5009117     12.26388 
1 1 1 -23 23 13 o 92.52084 3.422248 1065.008       76.49236 1141.444       109.1532 991.2482       107.2256 95.85233 4.706864 89.18937 4.969160 6.662956       6.844496 
1 1 1 -23 23 14 o 23.85101 6.631781 55.09476       54.82514 75.60110       88.54426 42.34462       69.81903 25.86409 9.983788 21.83792 8.731899 4.026165       13.26356 
1 1 1 -23 23 15 o 21.87517 6.513778 20.36237       60.73978 -25.99866      83.57562 72.26264       88.42761 18.63243 8.473154 25.11792 9.895598 -6.485497      13.02756 
1 1 1 -23 23 16 o 52.31323 5.924660 391.3597       72.87438 406.2990       99.73696 374.2492       106.7389 54.24348 7.599872 50.38299 9.091113 3.860493       11.84932 
1 1 1 -23 23 17 o 36.77065 7.548398 235.7072       71.11626 232.6132       101.6577 238.6726       99.52348 36.37921 10.78118 37.16208 10.56785 -0.7828712     15.09680 
1 1 1 -23 25 1  o 57.06668 4.228068 398.3000       57.99812 443.7489       88.37238 363.9133       76.86893 59.86823 6.101236 54.26512 5.855012 5.603111       8.456137 
1 1 1 -23 25 2  o 131.2554 2.980941 2097.969       94.43119 2244.695       139.6086 1974.223       128.2101 135.4518 4.260151 127.0591 4.170751 8.392708       5.961883 
1 1 1 -23 25 3  o 30.30195 6.588197 119.7332       53.83136 88.12053       84.11439 141.6624       70.05704 27.75148 9.910813 32.85241 8.682923 -5.100933      13.17639 
1 1 1 -23 25 4  o 31.77242 6.559746 122.7419       54.31931 185.3785       85.72732 80.72511       70.21291 37.36598 9.470608 26.17886 9.079022 11.18712       13.11949 
1 1 1 -23 25 5  o 49.05850 5.463064 328.1386       58.81361 226.1552       91.73179 399.3226       76.63834 41.26334 9.398765 56.85365 5.571671 -15.59031      10.92613 
1 1 1 -23 25 6  o 111.5996 4.484232 1528.725       121.0746 1528.725       121.0746 0.000000       0.000000 111.5996 4.484232 ?        ?        ?              ?        
1 1 1 -23 25 7  o 87.10416 3.361673 925.7885       70.46024 1016.824       106.6431 855.2588       93.86682 90.83782 4.852480 83.37050 4.653689 7.467323       6.723346 
1 1 1 -23 25 8  f 59.63010 7.455973 509.8125       84.85373 536.7361       96.67950 419.5122       177.0567 65.54829 6.096363 53.71191 13.60884 11.83637       14.91195 
1 1 1 -23 25 9  o 44.13165 5.830057 255.7069       59.70740 284.1394       89.76998 233.1505       79.95735 46.33276 8.313793 41.93052 8.175517 4.402241       11.66011 
1 1 1 -23 25 10 o 40.75546 6.262016 222.4588       59.74822 260.3223       90.50637 193.2118       79.54449 43.86275 8.834163 37.64816 8.877441 6.214600       12.52403 
1 1 1 -23 25 11 o 126.1262 4.361253 1972.265       133.0819 0.000000       0.000000 1972.265       133.0819 ?        ?        126.1262 4.361253 ?              ?        
1 1 1 -23 25 12 o 25.94043 6.374104 67.99051       58.98517 -41.07341      88.02026 156.8923       79.46892 18.66181 8.565219 33.21905 9.442131 -14.55724      12.74821 
1 1 1 -23 25 13 o 39.85720 6.802298 236.5004       65.99016 289.2108       91.23533 178.6703       95.56340 45.32269 8.635727 34.39170 10.51234 10.93098       13.60460 
1 1 1 -23 25 14 f 22.65937 6.629715 38.02116       63.35752 94.00786       86.03628 -28.31181      93.64917 26.12039 9.900428 19.19834 8.820093 6.922056       13.25943 
1 1 1 -23 25 15 o 23.93973 7.098971 67.78970       69.24435 49.51480       94.10559 89.36626       102.2537 22.55264 9.661450 25.32682 10.40375 -2.774183      14.19794 
1 1 1 -23 27 1  o 166.1812 3.074208 3401.722       123.5507 3507.176       177.7329 3303.112       171.8689 168.6658 4.355503 163.6966 4.339655 4.969223       6.148416 
1 1 1 -23 27 2  o 122.1999 3.031677 1820.212       89.14857 2079.985       134.0413 1614.162       119.3790 129.9476 4.263516 114.4522 4.311230 15.49538       6.063355 
1 1 1 -23 27 3  o 74.47244 3.891743 689.0273       69.70644 714.3932       105.1576 669.1450       93.09964 75.58881 5.750174 73.35607 5.245775 2.232735       7.783486 
1 1 1 -23 27 4  o 45.14171 6.136699 292.7709       63.56248 163.2637       96.25616 392.9102       84.64157 34.42708 10.55492 55.85634 6.263381 -21.42926      12.27340 
1 1 1 -23 27 5  o 77.63688 5.676939 754.9138       106.6313 754.9138       106.6313 0.000000       0.000000 77.63688 5.676939 ?        ?        ?              ?        
1 1 1 -23 27 6  o 27.00843 7.438658 61.14082       63.55685 130.3986       122.9711 35.89680       74.24174 32.00945 11.89785 22.00742 8.931728 10.00203       14.87732 
1 1 1 -23 27 7  o 61.50240 4.586864 482.2224       68.19145 464.3000       97.00147 499.7339       95.88280 60.29280 6.649831 62.71199 6.319574 -2.419197      9.173727 
1 1 1 -23 27 8  o 43.77473 6.284189 264.8865       63.92486 254.9380       95.69676 272.9027       85.90128 42.63583 9.518225 44.91364 8.207771 -2.277805      12.56838 
1 1 1 -23 27 9  o 32.90268 6.947598 154.5970       64.48151 77.62140       94.32529 222.1277       88.34907 26.24752 10.25626 39.55783 9.374733 -13.31031      13.89520 
1 1 1 -23 27 10 f 50.33747 5.375853 338.7868       65.30437 330.3110       94.83761 346.4295       90.05643 49.54086 7.912519 51.13408 7.279507 -1.593220      10.75171 
1 1 1 -23 27 11 o 46.79346 6.213641 316.3650       67.71558 223.2988       95.38971 410.9076       96.14334 38.25853 10.14153 55.32838 7.182389 -17.06986      12.42728 
1 1 1 -23 27 12 o 27.19580 7.326077 103.8733       67.68478 67.93531       91.63487 147.0212       100.4069 24.13312 9.873532 30.25849 10.82585 -6.125372      14.65215 
1 1 1 -23 27 13 o 23.52343 6.985453 46.45745       73.48311 133.9243       102.4212 -46.32625      105.4882 28.17824 10.77281 18.86863 8.895657 9.309603       13.97091 
1 1 1 -22 0  1  o 235.6479 3.301596 6726.433       265.9622 6726.433       265.9622 6726.433       265.9622 235.6479 4.669162 235.6479 4.669162 0.000000       0.000000 
1 1 1 -22 0  2  f 282.1293 3.797205 9641.375       366.2474 9641.375       366.2474 9641.375       366.2474 282.1293 5.370059 282.1293 5.370059 0.000000       0.000000 
1 1 1 -22 0  3  o 19.20576 4.264320 56.04530       24.60348 56.04530       24.60348 56.04530       24.60348 19.20576 6.030659 19.20576 6.030659 0.000000       0.000000 
1 1 1 -22 0  4  o 706.3063 8.749450 60468.03       2112.956 60468.03       2112.956 60468.03       2112.956 706.3063 12.37359 706.3063 12.37359 0.000000       0.000000 
1 1 1 -22 0  5  o 798.5333 9.848537 77304.49       2688.958 77304.49       2688.958 77304.49       2688.958 798.5333 13.92793 798.5333 13.92793 0.000000       0.000000 
1 1 1 -22 0  6  o 34.74010 2.538418 150.6298       29.43456 150.6298       29.43456 150.6298       29.43456 34.74010 3.589865 34.74010 3.589865 0.000000       0.000000 
1 1 1 -22 0  7  o 57.71416 2.014818 405.8997       39.56531 405.8997       39.56531 405.8997       39.56531 57.71416 2.849384 57.71416 2.849384 0.000000       0.000000 
1 1 1 -22 0  8  o 334.7933 4.379585 13577.32       501.2930 13577.32       501.2930 13577.32       501.2930 334.7933 6.193668 334.7933 6.193668 0.000000       0.000000 
1 1 1 -22 0  9  o 211.1608 3.040765 5401.711       219.4861 5401.711       219.4861 5401.711       219.4861 211.1608 4.300291 211.1608 4.300291 0.000000       0.000000 
1 1 1 -22 0  10 o 320.4718 4.221688 12444.64       462.5442 12444.64       462.5442 12444.64       462.5442 320.4718 5.970369 320.4718 5.970369 0.000000       0.000000 
1 1 1 -22 0  11 o 346.1562 4.512634 14524.35       534.0556 14524.35       534.0556 14524.35       534.0556 346.1562 6.381828 346.1562 6.381828 0.000000       0.000000 
1 1 1 -22 0  12 o 90.35419 2.062522 990.9164       63.61182 990.9164       63.61182 990.9164       63.61182 90.35419 2.916847 90.35419 2.916847 0.000000       0.000000 
1 1 1 -22 0  13 o 29.23199 2.687115 108.5468       25.62136 108.5468       25.62136 108.5468       25.62136 29.23199 3.800154 29.23199 3.800154 0.000000       0.000000 
1 1 1 -22 2  1  f 849.4207 11.90495 89667.83       2205.378 92505.48       2628.207 82914.93       4054.391 873.4689 12.43683 825.3724 20.30362 48.09656       23.80991 
1 1 1 -22 2  2  o 499.8924 7.240494 30425.80       764.7669 30584.65       888.1541 29970.26       1504.030 502.6219 7.303729 497.1630 12.50418 5.458923       14.48099 
1 1 1 -22 2  3  o 271.3973 4.216197 9064.330       244.9190 9242.776       287.5276 8592.505       467.5365 276.3801 4.300020 266.4146 7.253625 9.965485       8.432393 
1 1 1 -22 2  4  o 621.5897 8.820672 47698.49       1184.285 48801.30       1399.270 44913.74       2223.538 634.7951 9.110989 608.3842 15.10652 26.41089       17.64134 
1 1 1 -22 2  5  o 629.2158 8.984001 48396.91       1200.298 48844.02       1399.119 47150.51       2336.010 635.0886 9.105801 623.3429 15.48979 11.74573       17.96800 
1 1 1 -22 2  6  o 137.1917 2.726186 2237.971       77.43185 2202.435       88.55586 2353.361       159.5762 134.9255 2.712821 139.4578 4.729584 -4.532349      5.452372 
1 1 1 -22 2  7  o 499.9716 7.270936 30224.00       759.2859 30162.82       875.0300 30410.47       1527.604 499.1482 7.245880 500.7951 12.60806 -1.646881      14.54187 
1 1 1 -22 2  8  o 382.1043 5.734650 17293.54       445.9725 16974.52       505.9080 18405.71       944.5966 374.4910 5.583775 389.7177 10.01830 -15.22672      11.46930 
1 1 1 -22 2  9  o 513.3510 7.374009 32548.01       817.2325 33293.83       965.2675 30660.32       1535.665 524.2462 7.610445 502.4558 12.63270 21.79031       14.74802 
1 1 1 -22 2  10 o 222.6730 3.650988 6041.643       171.3305 6081.148       198.7631 5927.424       337.9724 224.1539 3.665110 221.1921 6.315522 2.961823       7.301976 
1 1 1 -22 2  11 o 139.1419 2.375158 2336.054       79.82516 2477.739       117.0130 2212.716       109.1739 143.0755 3.380388 135.2083 3.337437 7.867142       4.750317 
1 1 1 -22 2  12 o 191.7628 2.849040 4450.344       132.1336 4550.220       189.9666 4356.733       183.9108 193.8448 4.050612 189.6807 4.007574 4.164078       5.698080 
1 1 1 -22 2  13 o 120.3497 2.232306 1752.096       64.97196 1802.458       93.50636 1705.083       90.34369 122.0203 3.167427 118.6792 3.146451 3.341156       4.464611 
1 1 1 -22 2  14 o 118.6381 3.123677 1704.079       89.65876 1704.079       89.65876 0.000000       0.000000 118.6381 3.123677 ?        ?        ?              ?        
1 1 1 -22 4  1  o 378.1129 4.871680 17305.74       445.6583 17327.85       630.8304 17283.71       629.6832 378.3539 6.891473 377.8718 6.887718 0.4821167      9.743360 
1 1 1 -22 4  2  o 539.5667 6.759058 35239.64       881.8782 35895.38       1271.907 34632.55       1223.811 544.3907 9.657002 534.7426 9.459481 9.648193       13.51812 
1 1 1 -22 4  3  o 191.6331 4.053642 4443.319       187.9395 0.000000       0.000000 4443.319       187.9395 ?        ?        191.6331 4.053642 ?              ?        
1 1 1 -22 4  4  o 246.8129 3.417783 7369.542       204.0540 7280.946       285.4848 7462.082       291.7697 245.2970 4.810480 248.3288 4.856360 -3.031815      6.835565 
1 1 1 -22 4  5  o 212.3603 3.067496 5456.584       157.5993 5441.047       222.2305 5472.305       223.5335 212.0562 4.331619 212.6643 4.344560 -0.6080780     6.134992 
1 1 1 -22 4  6  o 610.7195 7.606052 45126.40       1122.482 46494.37       1636.431 43910.84       1542.583 619.4322 10.91947 602.0068 10.59119 17.42542       15.21210 
1 1 1 -22 4  7  o 479.4987 6.045007 27836.62       701.0982 28228.89       1005.115 27464.90       978.4286 482.7839 8.605193 476.2134 8.492297 6.570465       12.09001 
1 1 1 -22 4  8  o 205.2940 2.993217 5099.014       148.6475 5162.632       212.3706 5037.909       208.1321 206.5488 4.249808 204.0391 4.216220 2.509674       5.986433 
1 1 1 -22 4  9  o 43.94390 2.502132 233.1567       26.56487 250.8334       38.53210 217.1441       36.67357 45.52788 3.498186 42.35992 3.578457 3.167965       5.004264 
1 1 1 -22 4  10 o 308.2633 4.088257 11509.26       304.8577 11379.32       426.6664 11644.78       435.7447 306.4882 5.754032 310.0384 5.809174 -3.550140      8.176515 
1 1 1 -22 4  11 o 390.5561 6.147021 18652.00       552.7396 18940.78       686.5980 18120.17       931.7632 395.1370 7.182118 385.9752 9.978008 9.161835       12.29404 
1 1 1 -22 4  12 o 367.4910 5.487289 16559.87       427.9558 16734.49       498.9365 16073.77       832.4528 371.5534 5.550368 363.4285 9.467565 8.124847       10.97458 
1 1 1 -22 4  13 o 179.7830 3.183331 3916.471       119.6902 3916.784       138.0955 3915.526       239.9589 179.8693 3.173366 179.6967 5.519433 0.1725922      6.366663 
1 1 1 -22 4  14 o 167.1796 3.743009 3385.281       151.3932 3385.281       151.3932 0.000000       0.000000 167.1796 3.743009 ?        ?        ?              ?        
1 1 1 -22 4  15 o 129.8848 3.274777 2043.161       102.9064 2043.161       102.9064 0.000000       0.000000 129.8848 3.274777 ?        ?        ?              ?        
1 1 1 -22 4  16 o 185.5793 3.971325 4176.254       178.3065 4176.254       178.3065 0.000000       0.000000 185.5793 3.971325 ?        ?        ?              ?        
1 1 1 -22 6  1  o 459.7188 5.820607 25583.59       647.2848 25860.67       925.2865 25318.05       905.8216 462.1537 8.275371 457.2839 8.187558 4.869812       11.64121 
1 1 1 -22 6  2  o 684.4942 8.482688 56700.02       1403.069 55150.41       1927.983 58444.68       2045.725 674.5866 11.81308 694.4018 12.17683 -19.81519      16.96538 
1 1 1 -22 6  4  o 529.6355 6.646410 33898.12       850.1307 32769.13       1161.109 35202.68       1248.136 520.1632 9.226374 539.1078 9.569382 -18.94458      13.29282 
1 1 1 -22 6  5  o 147.8541 2.507081 2644.788       89.67708 2628.627       126.0495 2661.351       127.6100 147.3969 3.534684 148.3113 3.556379 -0.9144592     5.014163 
1 1 1 -22 6  6  o 543.4562 6.807252 35699.64       893.4163 34503.52       1220.110 37082.36       1311.833 533.6791 9.449670 553.2333 9.800942 -19.55420      13.61450 
1 1 1 -22 6  7  o 321.5159 4.251743 12507.05       330.6150 12746.06       475.2164 12282.86       460.2627 324.4898 6.053242 318.5421 5.972231 5.947723       8.503487 
1 1 1 -22 6  8  o 587.7089 7.337981 41903.44       1043.376 41938.52       1476.144 41868.42       1474.971 587.9547 10.37726 587.4630 10.37769 0.4916992      14.67596 
1 1 1 -22 6  9  o 334.1815 4.383028 13527.09       354.3246 13395.03       496.2366 13664.44       506.0900 332.5202 6.168342 335.8427 6.228586 -3.322540      8.766055 
1 1 1 -22 6  10 o 192.8870 2.885975 4499.628       134.5863 4379.233       186.1712 4631.427       194.7886 190.1886 4.045999 195.5854 4.116468 -5.396866      5.771951 
1 1 1 -22 6  11 o 100.2463 2.218864 1212.359       53.72480 1140.995       73.50856 1294.191       78.71504 97.09014 3.129396 103.4025 3.146476 -6.312355      4.437728 
1 1 1 -22 6  12 o 108.4548 3.156847 1423.917       82.83321 1423.917       82.83321 0.000000       0.000000 108.4548 3.156847 ?        ?        ?              ?        
1 1 1 -22 6  13 o 178.0804 2.761355 3841.100       118.9702 3847.958       168.6028 3834.298       167.8979 178.2385 3.909858 177.9224 3.900428 0.3161011      5.522710 
1 1 1 -22 6  14 o 22.45191 4.002872 64.11132       22.64973 37.60186       32.63846 88.73680       31.45730 18.29287 6.194737 26.61094 5.071208 -8.318073      8.005743 
1 1 1 -22 6  15 o 10.86968 3.415133 -11.87638      18.32118 -22.75775      25.90041 -0.9787762     25.91971 9.834067 4.560706 11.90530 5.084536 -2.071232      6.830266 
1 1 1 -22 6  16 o 139.7226 3.396503 2366.528       114.8156 2366.528       114.8156 0.000000       0.000000 139.7226 3.396503 ?        ?        ?              ?        
1 1 1 -22 6  17 o 30.80002 4.012538 115.2425       29.90009 115.2425       29.90009 0.000000       0.000000 30.80002 4.012538 ?        ?        ?              ?        
1 1 1 -22 6  18 o 96.64146 2.878150 1133.643       67.29443 1133.643       67.29443 0.000000       0.000000 96.64146 2.878150 ?        ?        ?              ?        
1 1 1 -22 8  1  o 706.2900 10.84646 59211.85       1692.195 57344.02       2002.402 63878.65       3165.138 687.7335 12.03452 724.8466 18.04863 -37.11310      21.69292 
1 1 1 -22 8  2  o 426.9714 7.716706 22091.71       797.0766 21939.32       1118.990 22248.66       1135.668 425.4799 10.87038 428.4630 10.95559 -2.983002      15.43341 
1 1 1 -22 8  3  o 791.4531 12.04741 75441.16       2145.250 77965.50       3843.995 74299.32       2585.297 800.3401 19.85208 782.5661 13.65486 17.77399       24.09481 
1 1 1 -22 8  4  o 446.5852 5.670094 24151.25       612.6205 24086.24       863.7991 24217.04       868.9766 445.9814 8.005596 447.1891 8.031831 -1.207703      11.34019 
1 1 1 -22 8  5  o 360.1995 4.687038 15707.37       408.4527 15658.14       576.5435 15756.97       578.7415 359.6330 6.626287 360.7660 6.630659 -1.133057      9.374077 
1 1 1 -22 8  6  o 393.6528 5.064106 18766.43       482.2973 18732.42       680.4563 18800.76       683.6981 393.2951 7.151209 394.0105 7.172231 -0.7153931     10.12821 
1 1 1 -22 8  7  o 808.0154 9.998853 79397.02       1953.729 78047.18       2713.132 80850.84       2815.702 800.9325 14.00144 815.0983 14.27823 -14.16583      19.99771 
1 1 1 -22 8  8  o 161.8005 3.185261 3101.310       116.1550 2988.984       139.5076 3355.146       209.7172 157.1489 3.669309 166.4521 5.207658 -9.303207      6.370521 
1 1 1 -22 8  9  o 80.04173 2.255823 774.2663       43.63609 827.2817       62.93703 725.1904       60.55346 82.67693 3.146441 77.40654 3.233397 5.270386       4.511646 
1 1 1 -22 8  10 o 544.4700 6.852855 36058.48       902.6686 36292.38       1283.975 35829.91       1269.284 546.2079 9.716199 542.7321 9.666537 3.475830       13.70571 
1 1 1 -22 8  11 o 205.1127 3.028786 5089.441       150.1732 4948.340       207.2218 5245.512       217.9371 202.1252 4.237530 208.1003 4.328686 -5.975098      6.057572 
1 1 1 -22 8  12 o 213.0769 3.109342 5500.545       160.2882 5534.726       227.3218 5466.746       226.0472 213.7353 4.396049 212.4185 4.398499 1.316833       6.218684 
1 1 1 -22 8  13 o 22.88364 4.551582 63.15239       28.16483 97.04228       39.80203 29.16336       39.86021 27.73791 6.097219 18.02937 6.759551 9.708532       9.103164 
1 1 1 -22 8  14 o 41.04630 3.084130 204.5452       30.57078 217.6191       43.06737 191.2675       43.40179 42.37342 4.200998 39.71918 4.516531 2.654232       6.168260 
1 1 1 -22 8  15 o 230.9059 3.282524 6469.627       183.3655 6414.532       257.5491 6526.262       261.1239 229.9110 4.630180 231.9008 4.654168 -1.989838      6.565047 
1 1 1 -22 8  16 o 176.7829 3.875216 3792.701       165.7442 0.000000       0.000000 3792.701       165.7442 ?        ?        176.7829 3.875216 ?              ?        
1 1 1 -22 8  17 o 64.82469 2.975011 509.8036       46.65856 0.000000       0.000000 509.8036       46.65856 ?        ?        64.82469 2.975011 ?              ?        
1 1 1 -22 8  18 o 83.89468 3.042886 856.3138       61.54311 890.5414       91.64249 828.1975       83.05936 85.39335 4.435785 82.39601 4.166584 2.997337       6.085771 
1 1 1 -22 8  19 o 30.46686 4.089390 113.5349       30.14314 113.5349       30.14314 0.000000       0.000000 30.46686 4.089390 ?        ?        ?              ?        
1 1 1 -22 8  20 o 38.12973 2.969321 177.2855       27.39196 177.2855       27.39196 0.000000       0.000000 38.12973 2.969321 ?        ?        ?              ?        
1 1 1 -22 10 1  o 121.3187 3.620674 1780.962       106.2722 0.000000       0.000000 1780.962       106.2722 ?        ?        121.3187 3.620674 ?              ?        
1 1 1 -22 10 2  f 493.8392 6.237971 29395.17       742.1656 31198.35       1112.725 27950.18       996.0949 507.3857 9.064571 480.2927 8.572203 27.09302       12.47594 
1 1 1 -22 10 3  o 86.52275 2.575993 903.6532       53.82226 985.4973       78.09106 829.5948       74.28393 90.24593 3.576608 82.79958 3.708211 7.446350       5.151986 
1 1 1 -22 10 4  o 619.5652 7.722598 46577.03       1157.567 46733.82       1642.567 46422.33       1631.582 620.5978 10.93983 618.5326 10.90295 2.065247       15.44520 
1 1 1 -22 10 5  o 319.9006 4.246314 12384.94       328.4849 12147.54       455.9663 12641.08       473.6328 316.7188 5.950542 323.0823 6.059353 -6.363464      8.492627 
1 1 1 -22 10 6  o 174.3161 3.373548 3623.122       133.0002 3526.358       160.5679 3834.622       237.3868 170.6891 3.888218 177.9432 5.514079 -7.254074      6.747096 
1 1 1 -22 10 7  o 393.2042 6.222125 18695.24       554.9421 18976.80       975.0641 18560.34       674.9109 395.1517 10.19922 391.2568 7.129881 3.894867       12.44425 
1 1 1 -22 10 8  o 364.5267 5.803971 16179.97       484.6519 15978.58       829.2695 16284.44       597.2721 362.5885 9.453210 366.4648 6.736551 -3.876282      11.60794 
1 1 1 -22 10 9  o 38.77502 3.284898 183.1128       30.58066 191.7412       41.38782 172.7383       45.38292 39.79019 4.299266 37.75986 4.967750 2.030323       6.569796 
1 1 1 -22 10 10 o 201.8794 3.013483 4935.818       147.1757 5001.675       209.4724 4871.614       206.8286 203.2092 4.260702 200.5496 4.262716 2.659592       6.026967 
1 1 1 -22 10 11 o 100.5194 2.991372 1176.488       66.48556 1112.559       78.35443 1340.869       125.6440 95.85799 3.378570 105.1807 4.937457 -9.322739      5.982744 
1 1 1 -22 10 12 o 159.9083 2.698526 3095.659       104.3509 3047.445       144.9554 3147.522       150.3409 158.6187 3.777267 161.1979 3.854921 -2.579163      5.397051 
1 1 1 -22 10 13 o 114.2165 2.456505 1576.601       67.80595 1662.895       98.66528 1499.370       93.34034 117.1713 3.480492 111.2616 3.467541 5.909706       4.913010 
1 1 1 -22 10 14 o 278.1332 3.800435 9384.037       255.5487 9650.272       370.0899 9141.416       353.2957 281.8892 5.426583 274.3771 5.322162 7.512085       7.600869 
1 1 1 -22 10 15 o 163.4555 2.691432 3228.151       106.2089 3445.774       156.5252 3042.454       144.5882 168.5369 3.838724 158.3741 3.773517 10.16280       5.382864 
1 1 1 -22 10 16 o 87.64491 3.257920 931.9657       69.08272 0.000000       0.000000 931.9657       69.08272 ?        ?        87.64491 3.257920 ?              ?        
1 1 1 -22 10 17 f 17.38749 4.686605 26.16937       27.40586 22.03094       39.59501 29.97536       37.97143 17.02159 6.646717 17.75340 6.608950 -0.7318115     9.373210 
1 1 1 -22 10 18 o 99.77100 3.163118 1211.188       76.35227 0.000000       0.000000 1211.188       76.35227 ?        ?        99.77100 3.163118 ?              ?        
1 1 1 -22 10 19 o 83.39736 2.976247 847.1737       60.05147 0.000000       0.000000 847.1737       60.05147 ?        ?        83.39736 2.976247 ?              ?        
1 1 1 -22 10 20 o 23.89478 5.379750 66.74799       37.15767 110.0654       54.95593 30.26770       50.43270 28.75133 7.732334 19.03824 7.481835 9.713083       10.75950 
1 1 1 -22 12 1  o 419.3392 5.387028 21321.16       546.5112 21439.56       777.1572 21205.32       768.6796 420.4882 7.639286 418.1902 7.597472 2.297943       10.77406 
1 1 1 -22 12 2  o 247.2523 3.499086 7402.564       209.3130 7388.250       295.6584 7416.946       296.3695 247.0127 4.947305 247.4918 4.949604 -0.4791260     6.998171 
1 1 1 -22 12 3  o 237.8152 3.404382 6848.072       195.8739 6863.354       277.6926 6832.940       276.3273 238.0789 4.821045 237.5514 4.807994 0.5274658      6.808765 
1 1 1 -22 12 4  o 493.8220 6.244388 29595.32       745.8968 29945.27       1067.553 29261.55       1042.604 496.6630 8.884344 490.9811 8.777126 5.681915       12.48878 
1 1 1 -22 12 5  o 250.9714 3.525759 7628.304       214.0764 7584.612       301.4767 7672.741       304.0390 250.2470 4.979464 251.6958 4.992878 -1.448853      7.051517 
1 1 1 -22 12 6  o 580.1960 7.276674 40911.09       1020.592 41924.25       1479.857 39992.11       1409.390 586.9980 10.42031 573.3940 10.15958 13.60394       14.55335 
1 1 1 -22 12 7  o 374.1277 4.858663 16978.91       439.7662 16888.20       618.6282 17071.58       625.2717 373.1203 6.852965 375.1350 6.889360 -2.014740      9.717325 
1 1 1 -22 12 8  o 85.02002 2.483052 875.0851       51.07164 860.8251       71.96756 889.5521       72.48765 84.32198 3.527716 85.71806 3.495340 -1.396080      4.966103 
1 1 1 -22 12 9  o 163.7847 3.841313 3248.585       152.2143 0.000000       0.000000 3248.585       152.2143 ?        ?        163.7847 3.841313 ?              ?        
1 1 1 -22 12 10 o 152.2618 2.644951 2807.606       97.43226 2789.427       137.2893 2826.053       138.2963 151.7653 3.739055 152.7583 3.741995 -0.9930115     5.289902 
1 1 1 -22 12 11 o 197.7471 3.020051 4736.612       144.4572 4823.553       206.8474 4653.835       201.8315 199.5168 4.285174 195.9775 4.256772 3.539276       6.040102 
1 1 1 -22 12 12 o 144.1859 3.774421 2518.661       131.6665 0.000000       0.000000 2518.661       131.6665 ?        ?        144.1859 3.774421 ?              ?        
1 1 1 -22 12 13 o 120.7518 2.565639 1767.127       74.94386 1785.573       105.5222 1748.354       106.4572 121.3897 3.593021 120.1139 3.663360 1.275856       5.131277 
1 1 1 -22 12 14 o 210.9523 3.144740 5402.938       160.4977 5388.467       226.5074 5417.530       227.4516 210.6692 4.444052 211.2354 4.450613 -0.5662384     6.289480 
1 1 1 -22 12 15 o 45.69475 3.512754 253.8837       38.76990 259.2006       56.72079 249.2213       53.11454 46.13657 5.081531 45.25293 4.851370 0.8836441      7.025507 
1 1 1 -22 12 16 f 166.4039 2.754646 3340.092       110.3269 3655.703       166.7177 3094.193       147.1581 173.3173 3.975918 159.4904 3.813708 13.82697       5.509291 
1 1 1 -22 12 17 o 82.50056 3.372700 828.3756       67.31888 0.000000       0.000000 828.3756       67.31888 ?        ?        82.50056 3.372700 ?              ?        
1 1 1 -22 12 18 o 89.81858 3.334655 983.5984       72.46352 0.000000       0.000000 983.5984       72.46352 ?        ?        89.81858 3.334655 ?              ?        
1 1 1 -22 12 19 o 26.90484 5.440322 95.99412       37.16687 104.5176       48.35462 83.68829       58.10117 28.19022 7.095158 25.61945 8.249069 2.570766       10.88064 
1 1 1 -22 12 20 o 52.23440 2.697758 332.9793       33.92437 377.6016       50.90934 297.3390       45.49802 55.35475 3.801371 49.11405 3.828992 6.240704       5.395516 
1 1 1 -22 14 1  o 370.0983 4.833353 16611.34       432.7001 16802.79       619.1551 16428.57       604.9528 372.1761 6.876202 368.0205 6.794338 4.155609       9.666705 
1 1 1 -22 14 2  o 101.8264 2.642196 1254.559       65.06479 1280.088       93.67761 1230.766       90.43885 102.8259 3.765572 100.8268 3.707462 1.999115       5.284393 
1 1 1 -22 14 3  o 389.6082 7.154682 18418.58       674.4050 18418.58       674.4050 0.000000       0.000000 389.6082 7.154682 ?        ?        ?              ?        
1 1 1 -22 14 4  o 338.2792 4.483015 13875.38       366.8567 13757.51       514.1005 13997.67       523.6589 336.8197 6.308821 339.7386 6.370907 -2.918884      8.966029 
1 1 1 -22 14 5  o 231.4141 3.360515 6484.521       188.0894 6360.795       262.0497 6615.997       270.1316 229.1402 4.726939 233.6880 4.777895 -4.547760      6.721029 
1 1 1 -22 14 6  o 94.57382 2.627002 1082.475       60.09240 1107.527       86.18700 1058.774       83.82903 95.63792 3.724855 93.50972 3.705402 2.128204       5.254003 
1 1 1 -22 14 7  o 25.10480 4.784593 47.56903       38.53439 163.2837       59.06464 -38.18321      50.84592 36.05993 7.022732 14.14966 6.500043 21.91027       9.569186 
1 1 1 -22 14 8  o 331.4625 4.391193 13327.94       352.0633 13509.20       504.4295 13155.78       491.6036 333.6528 6.248898 329.2723 6.171029 4.380463       8.782387 
1 1 1 -22 14 9  o 79.06897 2.763286 757.3231       52.85302 759.1228       74.15749 755.4651       75.34765 79.16541 3.871838 78.97253 3.943586 0.1928711      5.526573 
1 1 1 -22 14 10 o 213.5724 3.196165 5528.721       165.1487 5540.816       233.9259 5516.703       233.1869 213.8050 4.522286 213.3397 4.517831 0.4653015      6.392329 
1 1 1 -22 14 11 o 157.7543 2.776757 3013.580       105.9334 3086.560       152.5887 2945.680       147.1825 159.5949 3.951855 155.9136 3.901842 3.681259       5.553515 
1 1 1 -22 14 12 o 47.99612 3.893459 281.4656       44.64339 228.1545       62.55501 336.8018       63.73202 43.31977 5.968616 52.67246 5.001172 -9.352695      7.786918 
1 1 1 -22 14 13 o 84.02275 3.914764 856.5280       79.58015 0.000000       0.000000 856.5280       79.58015 ?        ?        84.02275 3.914764 ?              ?        
1 1 1 -22 14 14 o 58.69019 3.230320 419.6755       45.74603 384.4590       64.68731 454.9080       64.70200 56.20951 4.756713 61.17088 4.371905 -4.961369      6.460640 
1 1 1 -22 14 15 o 121.7441 2.598930 1799.691       76.49332 1865.695       110.8086 1739.603       105.7261 123.8700 3.697474 119.6182 3.653277 4.251762       5.197860 
1 1 1 -22 14 16 o 116.2301 3.607377 1645.289       101.4407 0.000000       0.000000 1645.289       101.4407 ?        ?        116.2301 3.607377 ?              ?        
1 1 1 -22 14 17 o 31.34342 5.317363 132.5296       39.42295 104.3664       64.10804 149.6563       49.99298 28.46626 8.590225 34.22058 6.269404 -5.754320      10.63473 
1 1 1 -22 14 18 o 21.18394 5.689238 40.72865       38.38717 58.28143       66.50701 31.95958       47.00795 23.47069 8.744738 18.89719 7.280061 4.573494       11.37848 
1 1 1 -22 14 19 o 51.80831 3.499351 323.7698       43.14871 399.8436       68.85706 274.5822       55.36802 56.63896 5.024940 46.97766 4.871529 9.661297       6.998701 
1 1 1 -22 14 20 o 77.98837 3.964352 720.1853       72.01572 996.4308       123.9163 579.2980       88.49463 88.37020 5.795894 67.60653 5.410357 20.76367       7.928704 
1 1 1 -22 16 1  o 233.0456 3.398197 6578.445       191.5352 6469.499       266.7442 6694.405       275.1969 231.0576 4.771692 235.0337 4.839620 -3.976074      6.796394 
1 1 1 -22 16 2  o 160.1069 2.818935 3100.098       109.1096 2952.112       151.1447 3261.138       157.6705 156.1221 4.001532 164.0917 3.971564 -7.969559      5.637870 
1 1 1 -22 16 3  o 85.01848 2.863318 877.6928       58.74461 819.9501       84.05146 932.8343       82.13647 82.27322 4.222644 87.76373 3.868287 -5.490509      5.726636 
1 1 1 -22 16 4  o 141.0475 2.734914 2409.205       93.32327 2438.284       132.7203 2380.765       131.2500 141.8893 3.866210 140.2056 3.869294 1.683701       5.469828 
1 1 1 -22 16 5  o 148.7252 3.901288 2679.057       140.3767 2679.057       140.3767 0.000000       0.000000 148.7252 3.901288 ?        ?        ?              ?        
1 1 1 -22 16 7  o 36.19559 5.237287 166.1937       44.20675 149.7460       64.65015 180.6372       60.58340 34.40390 7.929754 37.98727 6.843660 -3.583370      10.47457 
1 1 1 -22 16 8  o 202.6069 3.125798 4968.969       153.1069 5137.767       221.8231 4815.385       211.5908 205.8861 4.453253 199.3278 4.387597 6.558365       6.251597 
1 1 1 -22 16 9  o 211.3421 3.206159 5413.823       163.9062 5493.693       234.5338 5337.574       229.1564 212.8632 4.554101 209.8210 4.514199 3.042191       6.412318 
1 1 1 -22 16 10 o 89.15716 2.927159 963.8247       63.02502 965.3730       86.59588 962.0807       91.90228 89.23939 4.010868 89.07493 4.264503 0.1644592      5.854319 
1 1 1 -22 16 11 o 65.40347 3.293936 519.8559       51.86983 587.2210       74.23727 455.6005       72.50350 69.55970 4.411253 61.24724 4.892943 8.312462       6.587871 
1 1 1 -22 16 12 o 209.7322 3.180283 5329.106       161.0979 5602.062       236.4426 5092.602       220.0892 214.7196 4.551470 204.7448 4.443074 9.974747       6.360565 
1 1 1 -22 16 13 o 70.59267 3.123632 606.6438       53.29673 595.8036       76.66615 616.7821       74.14307 69.97180 4.528749 71.21352 4.303341 -1.241722      6.247265 
1 1 1 -22 16 14 o 136.4771 3.779626 2266.172       124.7989 0.000000       0.000000 2266.172       124.7989 ?        ?        136.4771 3.779626 ?              ?        
1 1 1 -22 16 15 o 64.99818 3.246017 514.5872       50.81342 539.7886       76.23924 494.4443       68.15969 66.39867 4.745882 63.59769 4.429798 2.800976       6.492034 
1 1 1 -22 16 16 o 64.56274 3.325844 490.2220       50.78960 659.1972       81.54765 383.1364       64.91809 73.28869 4.599092 55.83680 4.805548 17.45189       6.651688 
1 1 1 -22 16 17 o 24.49727 5.316084 68.68655       43.30725 -35.65637      69.59896 134.6111       55.32163 16.98128 7.726139 32.01326 7.304092 -15.03198      10.63217 
1 1 1 -22 16 18 o 71.32216 3.208180 629.7010       54.53213 633.3173       84.78126 627.1492       71.21959 71.35204 4.911240 71.29228 4.129093 0.5975342E-01  6.416361 
1 1 1 -22 16 19 o 95.63780 2.910537 1123.117       66.69467 1224.673       103.2162 1050.320       87.38842 99.19501 4.300866 92.08059 3.922686 7.114418       5.821075 
1 1 1 -22 16 20 o 82.42554 5.958203 655.1245       84.06478 2226.056       173.6208 174.0631       96.07788 131.4420 5.459654 33.40903 10.59212 98.03300       11.91641 
1 1 1 -22 18 1  o 21.04134 6.011151 23.21894       47.09728 21.23144       70.78285 24.79790       63.09016 21.38664 8.705507 20.69604 8.291556 0.6905975      12.02230 
1 1 1 -22 18 2  o 289.2662 3.984429 10146.72       278.7392 9937.742       387.6557 10370.42       401.0805 286.1900 5.598729 292.3424 5.670709 -6.152435      7.968858 
1 1 1 -22 18 3  f 177.5562 2.991520 3820.289       128.5017 3820.592       180.8452 3819.981       182.6257 177.5648 4.209666 177.5476 4.251527 0.1722717E-01  5.983040 
1 1 1 -22 18 4  o 113.1530 2.793813 1551.312       76.47869 1563.624       107.8795 1538.872       108.4371 113.6055 3.924977 112.7004 3.976947 0.9050674      5.587625 
1 1 1 -22 18 5  o 135.6653 2.782029 2228.917       91.29106 2174.917       127.4867 2285.749       130.7867 133.9797 3.932996 137.3509 3.935771 -3.371185      5.564059 
1 1 1 -22 18 6  o 313.6021 4.233493 11891.55       320.2221 12594.55       476.0377 11310.53       432.7727 322.0048 6.110500 305.1995 5.861028 16.80527       8.466986 
1 1 1 -22 18 7  o 233.4690 3.443009 6611.964       194.4559 6560.798       272.5857 6664.985       277.4841 232.5527 4.844838 234.3852 4.893342 -1.832504      6.886018 
1 1 1 -22 18 8  o 130.1696 2.826466 2054.816       88.95786 2069.884       123.8942 2038.782       127.8079 130.6679 3.919039 129.6713 4.073913 0.9966583      5.652931 
1 1 1 -22 18 9  o 291.4211 4.004283 10309.42       281.9423 10717.20       412.0010 9950.258       386.6579 296.8088 5.737453 286.0333 5.587377 10.77554       8.008567 
1 1 1 -22 18 10 f 192.3501 3.071161 4489.783       142.8402 4595.467       206.2770 4392.420       197.9907 194.5161 4.383216 190.1841 4.302968 4.331955       6.142322 
1 1 1 -22 18 11 f 131.7465 2.751137 2097.601       87.46547 2266.376       129.3803 1955.544       118.6985 136.5996 3.914862 126.8933 3.866378 9.706253       5.502274 
1 1 1 -22 18 12 o 120.6266 2.792650 1759.481       81.19482 1888.226       121.4273 1655.363       109.1975 124.5809 4.028678 116.6722 3.868503 7.908676       5.585299 
1 1 1 -22 18 13 o 165.0819 2.908909 3315.123       116.0128 3456.672       169.7231 3190.986       158.9410 168.3655 4.166636 161.7983 4.060316 6.567245       5.817819 
1 1 1 -22 18 14 f 64.01636 3.549794 505.9042       54.39994 481.2591       81.93734 525.3304       72.74640 62.53785 5.415475 65.49486 4.590944 -2.957005      7.099587 
1 1 1 -22 18 15 o 22.41517 6.201328 41.85362       48.46180 50.19438       73.76011 35.51836       64.28369 23.52341 9.103312 21.30693 8.423515 2.216476       12.40266 
1 1 1 -22 18 16 o 55.28160 4.203322 380.9373       54.59064 386.0983       88.58142 377.7767       69.31882 55.37251 6.612203 55.19070 5.191381 0.1818085      8.406644 
1 1 1 -22 18 17 o 29.40914 6.269600 118.8977       49.17988 88.49688       77.07416 139.7762       63.87281 26.69938 9.492102 32.11890 8.193385 -5.419518      12.53920 
1 1 1 -22 18 18 o 27.65271 6.597528 103.2041       51.35971 102.0122       84.53443 103.9015       64.66247 27.76957 9.933587 27.53585 8.685238 0.2337208      13.19506 
1 1 1 -22 18 19 o 49.39272 4.883983 327.5464       57.07442 314.2402       89.03607 336.8281       74.36221 47.99765 7.667323 50.78779 6.051885 -2.790146      9.767965 
1 1 1 -22 18 20 o 25.00043 7.649471 68.15844       82.48860 119.0958       134.8686 37.71564       104.2642 27.58335 11.68277 22.41750 9.877779 5.165857       15.29894 
1 1 1 -22 20 1  o 45.24767 5.180252 258.3036       54.21770 208.2171       78.87037 303.1782       74.65405 40.56646 8.315391 49.92886 6.180155 -9.362400      10.36050 
1 1 1 -22 20 2  o 244.5863 3.573982 7262.101       211.4766 7232.177       297.2538 7292.769       300.9262 244.0797 5.033771 245.0930 5.074892 -1.013260      7.147963 
1 1 1 -22 20 3  o 225.4173 3.378899 6165.714       184.2453 6109.639       257.8539 6224.209       263.3578 224.3747 4.750042 226.4599 4.806760 -2.085266      6.757799 
1 1 1 -22 20 4  o 247.8756 3.592329 7460.549       215.4190 7536.183       306.7914 7386.993       302.5498 249.1128 5.090318 246.6384 5.070302 2.474380       7.184657 
1 1 1 -22 20 5  f 20.00608 5.788354 2.603023       48.30825 -56.68298      71.58483 52.18017       65.46146 16.58648 7.653298 23.42567 8.686034 -6.839195      11.57671 
1 1 1 -22 20 6  o 160.7478 2.905496 3134.590       112.9785 3059.498       158.3628 3212.423       161.2271 158.7861 4.122288 162.7094 4.095654 -3.923218      5.810993 
1 1 1 -22 20 7  o 119.7332 5.593624 1745.390       162.0355 1745.390       162.0355 0.000000       0.000000 119.7332 5.593624 ?        ?        ?              ?        
1 1 1 -22 20 8  o 98.33553 2.948612 1170.713       69.97087 1295.536       101.9342 1059.491       96.22038 103.2847 4.079259 93.38635 4.258742 9.898361       5.897223 
1 1 1 -22 20 9  o 117.9745 2.864100 1681.454       81.39176 1919.545       119.9146 1478.066       110.8318 125.6862 3.943502 110.2627 4.154643 15.42355       5.728199 
1 1 1 -22 20 10 o 47.77013 4.619531 279.3414       53.14275 319.1779       77.46453 243.9248       73.04079 51.00423 6.277610 44.53604 6.778781 6.468197       9.239061 
1 1 1 -22 20 11 o 115.1974 3.971337 1616.754       110.6832 0.000000       0.000000 1616.754       110.6832 ?        ?        115.1974 3.971337 ?              ?        
1 1 1 -22 20 12 o 163.7432 2.958848 3270.212       117.0754 3366.857       170.6593 3184.295       160.9097 166.0006 4.249307 161.4859 4.118559 4.514694       5.917697 
1 1 1 -22 20 13 o 83.55447 3.333452 852.6854       67.21091 931.3807       99.20937 785.9290       91.37447 87.10090 4.707906 80.00803 4.720510 7.092865       6.666903 
1 1 1 -22 20 14 o 19.73115 5.929059 6.760100       49.93248 -35.76877      82.76238 31.10042       62.61152 18.79437 8.501078 20.66792 8.267202 -1.873543      11.85812 
1 1 1 -22 20 15 o 74.69904 3.769776 698.9089       67.42960 662.0523       101.2188 728.3162       90.41315 72.74306 5.751318 76.65501 4.875159 -3.911942      7.539552 
1 1 1 -22 20 16 o 69.83620 3.764928 608.7010       63.25748 640.8976       95.50327 583.5349       84.43492 71.37447 5.530611 68.29793 5.109899 3.076538       7.529855 
1 1 1 -22 20 17 o 101.5278 3.140500 1290.553       76.89463 1259.500       112.4689 1317.810       105.3689 100.2308 4.637982 102.8248 4.235574 -2.594009      6.281000 
1 1 1 -22 20 18 o 27.55634 7.168704 108.1654       62.13531 119.1549       96.63586 100.4197       81.12934 28.46856 10.55400 26.64413 9.704346 1.824429       14.33741 
1 1 1 -22 20 19 o 67.21987 6.927278 727.3878       103.5903 549.5538       153.5576 875.9073       140.3317 55.95308 11.71893 78.48666 7.390225 -22.53358      13.85456 
1 1 1 -22 22 1  o 43.08077 5.216714 230.0798       53.02150 260.6604       77.51269 203.1882       72.68718 46.14113 6.943562 40.02041 7.787385 6.120720       10.43343 
1 1 1 -22 22 2  o 161.0519 2.928576 3142.839       113.9605 3346.487       166.0560 2961.536       156.6814 165.9716 4.135407 156.1321 4.147847 9.839523       5.857152 
1 1 1 -22 22 3  o 27.07488 6.445858 85.15168       49.91813 82.65576       73.20671 87.32067       68.24404 26.98864 9.275625 27.16111 8.953162 -0.1724739     12.89172 
1 1 1 -22 22 4  o 97.17213 3.002981 1145.786       70.53103 1194.441       102.5190 1102.061       97.18640 99.12425 4.274861 95.22000 4.218665 3.904251       6.005961 
1 1 1 -22 22 5  o 50.31161 4.759461 327.9626       53.70851 235.6568       80.02074 403.6338       72.45255 43.08696 7.969894 57.53625 5.204869 -14.44929      9.518922 
1 1 1 -22 22 6  o 129.4542 2.890631 2036.974       90.50370 2103.417       129.8675 1974.236       126.1946 131.5064 4.081797 127.4021 4.094132 4.104301       5.781262 
1 1 1 -22 22 7  o 45.98076 4.958032 254.9407       54.26590 291.0010       86.62989 231.6532       69.61690 48.55593 7.374340 43.40558 6.629286 5.150349       9.916064 
1 1 1 -22 22 8  o 83.88571 3.297931 852.0945       66.65212 952.9708       99.63730 770.3922       89.66940 88.34218 4.661777 79.42924 4.666180 8.912933       6.595863 
1 1 1 -22 22 9  o 63.99619 3.799682 504.2002       58.55117 483.7352       86.03399 521.8564       79.91222 62.73098 5.668728 65.26139 5.061213 -2.530407      7.599365 
1 1 1 -22 22 10 o 132.2004 2.894261 2121.763       92.26694 2306.896       137.3924 1969.683       124.5248 137.4081 4.132836 126.9927 4.052982 10.41532       5.788523 
1 1 1 -22 22 11 o 112.6111 2.937298 1549.556       79.95856 1618.653       115.9724 1486.950       110.3910 114.9955 4.168420 110.2268 4.139462 4.768654       5.874595 
1 1 1 -22 22 12 o 29.78282 6.394418 104.0664       55.36729 186.8779       81.22992 32.20715       75.66798 37.37968 9.073541 22.18596 9.012502 15.19372       12.78884 
1 1 1 -22 22 13 o 59.55154 4.141517 433.3279       58.98265 526.3873       91.69398 367.6431       77.03588 64.88612 5.840993 54.21695 5.872942 10.66918       8.283033 
1 1 1 -22 22 14 o 35.14811 6.640597 169.3270       57.76670 200.7155       85.19720 142.6175       78.59100 38.10432 9.318926 32.19189 9.462967 5.912434       13.28119 
1 1 1 -22 22 15 o 34.80119 6.699207 165.3515       58.55506 227.9897       90.35567 119.9984       76.88456 40.14412 9.458505 29.45826 9.489689 10.68585       13.39841 
1 1 1 -22 22 16 o 86.12436 3.663015 948.5142       75.78646 1054.805       106.0733 837.6765       108.3185 91.38047 4.797892 80.86826 5.536331 10.51221       7.326031 
1 1 1 -22 22 17 o 38.67049 7.256353 237.9164       69.35586 265.8061       98.88947 210.9174       97.29788 41.22796 10.01366 36.11301 10.50454 5.114944       14.51271 
1 1 1 -22 24 1  o 70.65271 3.620972 616.3541       61.35739 558.1138       89.97642 666.9792       83.88806 67.43784 5.514711 73.86759 4.694009 -6.429756      7.241944 
1 1 1 -22 24 2  o 121.8622 2.931942 1804.292       86.27717 1930.832       126.7811 1695.142       117.7477 125.8225 4.164796 117.9018 4.127905 7.920723       5.863883 
1 1 1 -22 24 3  o 45.62780 4.952418 253.5995       54.20689 293.2574       83.44304 224.6433       71.30116 48.65080 7.089211 42.60479 6.917288 6.046005       9.904837 
1 1 1 -22 24 4  o 65.26608 3.797541 531.6600       58.74081 466.7338       89.05739 581.6578       78.15113 61.56732 5.978847 68.96484 4.683874 -7.397526      7.595083 
1 1 1 -22 24 5  o 61.39728 5.890604 464.3951       87.50066 464.3951       87.50066 0.000000       0.000000 61.39728 5.890604 ?        ?        ?              ?        
1 1 1 -22 24 6  f 209.2687 3.294989 5320.306       166.0320 5808.208       250.1716 4936.236       221.9611 217.7249 4.749279 200.8126 4.568606 16.91228       6.589978 
1 1 1 -22 24 7  o 165.9741 3.043303 3330.865       121.3685 3719.105       185.3708 3039.560       160.5701 174.2985 4.395875 157.6497 4.209874 16.64879       6.086605 
1 1 1 -22 24 8  o 19.63438 6.511525 -111.3884      61.90737 10.10351       131.8896 -145.7203      70.11090 26.42340 11.38096 12.84536 6.330374 13.57804       13.02305 
1 1 1 -22 24 9  o 113.2507 3.015766 1570.729       82.55251 1632.247       119.9820 1515.426       113.7600 115.3402 4.299652 111.1613 4.229937 4.178940       6.031531 
1 1 1 -22 24 10 o 23.45308 6.571190 45.28681       55.91803 23.60917       84.13531 62.43851       74.83865 22.38287 9.337440 24.52330 9.248478 -2.140436      13.14238 
1 1 1 -22 24 11 o 36.87733 6.298870 189.8336       59.38023 105.7185       89.78462 255.2301       79.16666 29.04580 10.25362 44.70887 7.318909 -15.66307      12.59774 
1 1 1 -22 24 12 o 43.25504 5.823711 250.1749       59.37305 228.4979       86.67696 269.3373       81.49479 40.81797 9.017529 45.69211 7.372017 -4.874138      11.64742 
1 1 1 -22 24 13 o 49.23991 5.553274 324.0812       64.32932 294.8837       92.01659 351.9937       89.96875 46.44939 8.501402 52.03042 7.147136 -5.581028      11.10655 
1 1 1 -22 24 14 o 22.68713 6.516439 43.16225       57.70684 4.469411       85.72253 75.22832       78.03736 20.50504 8.997945 24.86923 9.428305 -4.364187      13.03288 
1 1 1 -22 24 15 o 64.87328 4.807094 564.4231       74.70071 569.1961       99.49348 558.2560       113.0941 65.66469 6.262684 64.08187 7.294615 1.582817       9.614188 
1 1 1 -22 24 16 o 46.17860 6.572408 319.4533       71.70760 244.6878       93.52616 426.0898       111.6955 38.80708 9.922668 53.55013 8.621303 -14.74305      13.14482 
1 1 1 -22 26 1  o 61.62742 4.137232 457.5842       60.60902 597.5168       94.57901 360.0763       78.95055 69.44646 5.629144 53.80838 6.064610 15.63808       8.274465 
1 1 1 -22 26 2  o 108.4701 3.108856 1441.622       81.32557 1475.597       120.4767 1413.182       110.2288 109.5885 4.543975 107.3517 4.244083 2.236794       6.217712 
1 1 1 -22 26 3  o 119.9076 3.050356 1730.325       87.62796 2077.546       134.8321 1476.427       115.2975 130.1340 4.282530 109.6813 4.344953 20.45268       6.100712 
1 1 1 -22 26 4  o 42.17920 6.016514 233.7548       58.43648 238.4420       91.57349 230.5348       75.89918 42.27425 9.213655 42.08415 7.739660 0.1900978      12.03303 
1 1 1 -22 26 5  o 23.20782 6.366141 41.91159       55.03701 -27.74112      88.53073 85.78764       70.26496 19.91040 8.916731 26.50523 9.088615 -6.594833      12.73228 
1 1 1 -22 26 6  o 29.04538 7.117616 105.0764       61.18493 93.68199       88.94328 115.3123       84.30039 28.16071 10.17554 29.93005 9.954913 -1.769346      14.23523 
1 1 1 -22 26 7  o 89.01013 3.524547 975.2806       75.61023 1055.142       113.1470 910.8432       101.6350 92.24475 5.069897 85.77551 4.897537 6.469238       7.049093 
1 1 1 -22 26 8  o 94.06744 3.428568 1090.853       77.72882 1232.755       114.6362 970.0963       105.7510 99.74212 4.750516 88.39277 4.944989 11.34935       6.857136 
1 1 1 -22 26 9  o 117.8826 3.097369 1716.561       88.20368 1854.235       127.6370 1590.718       122.0295 122.4412 4.308707 113.3241 4.450822 9.117050       6.194738 
1 1 1 -22 26 10 o 49.89605 5.492485 326.8346       64.13371 394.8456       94.82700 269.4998       87.06665 55.24951 7.094165 44.54259 8.387036 10.70691       10.98497 
1 1 1 -22 26 11 o 47.36231 5.869897 308.1695       64.74680 251.8601       92.77742 361.6305       90.40046 42.13824 9.345297 52.58639 7.105505 -10.44815      11.73979 
1 1 1 -22 26 12 o 23.49665 6.840347 45.60384       63.79406 12.48447       89.16593 80.33443       91.30908 21.18534 9.239593 25.80797 10.08917 -4.622633      13.68069 
1 1 1 -22 26 13 o 56.67085 5.284986 441.9637       71.93452 486.2862       100.4567 395.3192       103.0545 60.08295 6.910755 53.25875 7.997861 6.824207       10.56997 
1 1 1 -22 26 14 o 39.70751 7.478891 264.0719       73.03849 263.8531       99.54544 264.3271       107.4962 40.10926 10.22692 39.30576 10.91537 0.8035088      14.95778 
1 1 1 -22 28 1  o 38.93522 8.241844 213.4311       75.54166 210.0536       85.87602 224.9851       158.8330 38.97424 9.246713 38.89620 13.64589 0.7803726E-01  16.48369 
1 1 1 -22 28 2  f 49.61629 5.549883 317.4975       62.82033 452.3504       95.79385 215.7430       83.21165 59.54878 6.649094 39.68380 8.887878 19.86498       11.09977 
1 1 1 -22 28 3  o 25.33070 6.884737 68.09955       60.13860 41.91876       90.87861 88.49621       80.21393 23.86523 9.806226 26.79616 9.666249 -2.930929      13.76947 
1 1 1 -22 28 4  o 31.65065 6.663292 139.7012       61.38634 46.58794       94.65472 207.2915       80.64523 24.44282 10.02156 38.85848 8.784429 -14.41566      13.32658 
1 1 1 -22 28 5  o 53.01454 4.994857 354.7501       63.27631 440.6955       97.59238 292.4145       83.11369 58.51049 6.894135 47.51859 7.229474 10.99190       9.989714 
1 1 1 -22 28 6  o 16.60337 5.533178 -75.30045      58.17870 -113.9632      88.17402 -45.49011      77.42433 15.96270 7.690276 17.24405 7.957631 -1.281351      11.06636 
1 1 1 -22 28 7  o 38.61803 7.654734 246.5563       80.67325 304.1910       95.00356 97.56097       152.7511 46.93304 8.686722 30.30301 12.60637 16.63003       15.30947 
1 1 1 -22 28 8  o 81.10710 7.092127 982.9979       123.3653 1262.344       165.8503 637.0018       184.5783 98.07327 6.989778 64.14094 12.34245 33.93233       14.18425 
1 1 1 -22 28 9  o 22.80001 7.574987 -73.00659      107.3398 -26.84117      140.7496 -137.1803      165.9462 23.50752 10.80467 22.09250 10.61983 1.415020       15.14997 
1 1 1 -22 28 10 f 44.89339 9.441230 357.6588       117.7239 218.9173       159.9890 521.4753       173.8464 35.00103 13.44437 54.78576 13.25881 -19.78473      18.88246 
1 1 1 -22 28 11 o 27.46564 8.624469 79.34818       119.4486 148.2451       153.1909 -27.50744      190.7795 29.99063 12.56273 24.94065 11.81964 5.049978       17.24894 
1 1 1 -22 28 12 o 37.92501 8.719407 316.8738       117.3841 456.9899       146.9452 69.79179       195.1335 49.44819 12.32631 26.40182 12.33590 23.04637       17.43881 
1 1 1 -21 1  1  o 68.55423 2.037828 568.4102       33.78047 595.2770       48.22247 542.5227       47.33549 70.14449 2.841538 66.96397 2.921752 3.180519       4.075656 
1 1 1 -21 1  2  o 330.9167 4.331326 13212.52       345.9631 13860.34       510.8623 12663.74       470.1952 338.3809 6.240160 323.4525 6.008491 14.92838       8.662653 
1 1 1 -21 1  3  f 633.1160 7.863637 48543.82       1203.626 47507.37       1664.375 49680.11       1742.694 626.0533 10.98848 640.1786 11.25169 -14.12524      15.72727 
1 1 1 -21 1  4  o 627.5543 8.967144 48161.78       1196.106 48616.33       1395.111 46900.66       2323.782 633.5566 9.101665 621.5520 15.45310 12.00464       17.93429 
1 1 1 -21 1  5  o 658.4360 9.420958 52678.72       1303.921 52790.41       1509.140 52349.79       2589.901 660.2067 9.448157 656.6653 16.30184 3.541443       18.84192 
1 1 1 -21 1  6  o 427.8088 6.283857 22161.07       563.4179 22159.63       650.7015 22165.38       1126.200 427.8911 6.285594 427.7265 10.88296 0.1645508      12.56771 
1 1 1 -21 1  7  o 666.7910 9.472808 54616.86       1351.300 55438.93       1584.197 52421.18       2589.039 676.5244 9.678843 657.0575 16.28669 19.46692       18.94562 
1 1 1 -21 1  8  o 598.1346 8.503294 44221.04       1100.321 45314.54       1301.912 41487.21       2058.533 611.6562 8.797759 584.6131 14.55416 27.04309       17.00659 
1 1 1 -21 1  9  o 206.4187 2.987232 5151.958       149.1038 5285.899       215.2065 5028.306       206.7753 208.9961 4.256131 203.8413 4.192801 5.154816       5.974465 
1 1 1 -21 1  10 o 328.9004 4.311978 13095.28       342.9799 12860.51       476.9141 13346.77       493.6103 325.8522 6.049469 331.9485 6.146263 -6.096375      8.623956 
1 1 1 -21 1  11 o 225.1049 3.181779 6135.019       173.2711 6075.746       243.2668 6196.053       246.8573 224.0020 4.488784 226.2078 4.510619 -2.205826      6.363557 
1 1 1 -21 1  12 o 129.6439 2.288649 2024.715       71.61085 2191.574       105.7176 1883.236       97.34569 134.5557 3.247452 124.7322 3.225789 9.823570       4.577299 
1 1 1 -21 1  13 o 404.4824 5.258098 19862.51       514.4238 20289.94       737.6609 19457.83       717.7577 408.7114 7.459980 400.2533 7.412088 8.458099       10.51620 
1 1 1 -21 3  1  o 318.0493 4.840299 12246.78       322.4808 12248.13       372.3548 12242.71       645.0339 318.1418 4.837645 317.9568 8.385176 0.1849365      9.680598 
1 1 1 -21 3  2  o 138.2936 2.756769 2321.807       79.87150 2329.582       92.30218 2298.632       159.3577 138.7642 2.749364 137.8230 4.779132 0.9412079      5.513539 
1 1 1 -21 3  3  f 423.8593 6.200060 21970.76       559.1269 22210.89       652.7049 21308.75       1083.725 428.3699 6.297898 419.3486 10.68173 9.021332       12.40012 
1 1 1 -21 3  4  o 555.9958 8.013844 37582.11       939.1412 37708.07       1088.760 37215.95       1856.294 558.0658 8.063887 553.9258 13.85137 4.139954       16.02769 
1 1 1 -21 3  5  o 569.0327 8.633921 39689.95       1143.089 40954.01       1444.585 37572.88       1869.507 581.4507 10.26900 556.6146 13.88258 24.83606       17.26784 
1 1 1 -21 3  6  o 406.1038 6.019320 19812.96       506.8017 19667.77       581.2045 20273.65       1035.277 403.1237 5.959205 409.0839 10.46024 -5.960175      12.03864 
1 1 1 -21 3  7  o 438.4911 6.430520 23277.83       590.4028 23267.95       681.4901 23307.55       1182.098 438.4395 6.424622 438.5428 11.14139 -0.1032104     12.86104 
1 1 1 -21 3  8  o 296.4637 4.568089 10606.11       282.4107 10573.39       325.1046 10706.72       570.0894 295.5907 4.546007 297.3367 7.924869 -1.746033      9.136177 
1 1 1 -21 3  9  o 399.6633 5.941242 19176.49       490.9523 19012.79       562.1732 19702.56       1007.780 396.2807 5.863608 403.0458 10.33497 -6.765137      11.88248 
1 1 1 -21 3  10 f 363.6662 5.437097 16090.90       416.1927 16149.72       482.2089 15919.10       824.0798 365.1754 5.457972 362.1570 9.405246 3.018494       10.87419 
1 1 1 -21 3  11 o 136.1909 2.738255 2219.960       77.37500 2196.379       88.69408 2295.063       158.2871 134.7210 2.721178 137.6609 4.752614 -2.939896      5.476510 
1 1 1 -21 3  12 o 178.4852 3.147263 3945.353       119.9380 4048.745       140.8629 3672.814       228.7005 182.8875 3.183540 174.0828 5.430113 8.804626       6.294526 
1 1 1 -21 3  13 o 379.2505 4.913482 17456.31       450.6922 17226.36       628.0071 17700.52       647.1750 376.6875 6.890981 381.8135 7.005970 -5.125946      9.826964 
1 1 1 -21 3  14 o 266.1094 5.137210 8586.054       330.7425 8586.054       330.7425 0.000000       0.000000 266.1094 5.137210 ?        ?        ?              ?        
1 1 1 -21 5  1  o 466.3033 5.895028 26326.96       665.0447 26230.17       937.5353 26424.98       943.5237 465.4413 8.325693 467.1654 8.347950 -1.724030      11.79006 
1 1 1 -21 5  2  o 396.9528 5.094737 19052.77       488.8768 18575.30       674.8536 19580.04       709.1749 391.7286 7.120687 402.1770 7.288427 -10.44839      10.18947 
1 1 1 -21 5  3  o 864.2574 10.65470 90361.21       2222.412 87082.66       3019.183 94238.55       3283.337 847.2537 14.72901 881.2612 15.39957 -34.00751      21.30940 
1 1 1 -21 5  4  o 529.2909 6.641915 33924.97       850.4581 34153.00       1212.170 33703.91       1193.506 531.0397 9.434835 527.5421 9.351151 3.497620       13.28383 
1 1 1 -21 5  5  o 160.1465 2.589903 3102.414       100.3339 3066.134       140.5278 3140.139       143.3000 159.1918 3.648710 161.1012 3.676589 -1.909470      5.179807 
1 1 1 -21 5  6  o 402.7875 5.155266 19638.87       502.3384 19795.14       715.7846 19487.19       705.1621 404.3653 7.316546 401.2098 7.264657 3.155487       10.31053 
1 1 1 -21 5  7  o 556.5624 6.959925 37530.16       937.1490 37708.74       1331.348 37354.78       1319.390 557.8726 9.864029 555.2521 9.821567 2.620544       13.91985 
1 1 1 -21 5  8  o 520.0173 6.525879 32769.10       821.0212 32854.73       1164.386 32684.42       1157.841 520.6916 9.243021 519.3431 9.214932 1.348450       13.05176 
1 1 1 -21 5  9  o 204.7567 2.998641 5074.035       148.5395 5120.508       211.4019 5028.716       208.7561 205.6825 4.248243 203.8310 4.233180 1.851471       5.997282 
1 1 1 -21 5  10 o 222.0071 3.166952 5961.424       169.9923 5803.985       235.2808 6133.368       245.8801 218.9453 4.441693 225.0690 4.515497 -6.123657      6.333905 
1 1 1 -21 5  11 o 65.90460 2.166592 525.7712       34.53296 528.6804       48.25861 522.7184       49.43666 66.09198 3.018032 65.71722 3.109336 0.3747559      4.333184 
1 1 1 -21 5  12 o 171.8583 2.687325 3574.834       111.7062 3642.031       160.2553 3511.329       155.7922 173.4276 3.819371 170.2890 3.781436 3.138657       5.374649 
1 1 1 -21 5  13 o 113.0542 2.241834 1546.603       61.29948 1577.244       88.04623 1517.779       85.39563 114.1398 3.188389 111.9685 3.152372 2.171295       4.483667 
1 1 1 -21 5  14 o 123.8851 2.291413 1857.652       68.66149 1800.790       96.11607 1916.908       98.11893 121.9493 3.257725 125.8210 3.223276 -3.871674      4.582825 
1 1 1 -21 5  15 o 264.2726 5.113832 8473.577       326.9648 8473.577       326.9648 0.000000       0.000000 264.2726 5.113832 ?        ?        ?              ?        
1 1 1 -21 5  16 o 195.2047 4.085160 4621.938       192.9308 4621.938       192.9308 0.000000       0.000000 195.2047 4.085160 ?        ?        ?              ?        
1 1 1 -21 7  1  o 711.8430 8.809380 61384.71       1516.309 60243.90       2102.477 62621.24       2188.903 704.9713 12.32700 718.7148 12.58832 -13.74347      17.61876 
1 1 1 -21 7  2  o 802.2607 13.99989 78065.25       2717.330 0.000000       0.000000 78065.25       2717.330 ?        ?        802.2607 13.99989 ?              ?        
1 1 1 -21 7  3  o 362.5981 6.665341 15914.39       584.7231 0.000000       0.000000 15914.39       584.7231 ?        ?        362.5981 6.665341 ?              ?        
1 1 1 -21 7  5  o 307.4411 4.087485 11439.78       304.0315 11419.12       429.2037 11460.58       430.7313 307.1627 5.775541 307.7195 5.785609 -0.5568542     8.174971 
1 1 1 -21 7  6  o 423.3102 5.401202 21695.61       553.0943 21510.97       775.0251 21887.23       789.5645 421.4773 7.600449 425.1432 7.676268 -3.665863      10.80240 
1 1 1 -21 7  7  o 291.7670 3.917455 10304.43       276.5298 10317.87       391.4826 10291.06       390.6631 291.9568 5.542320 291.5773 5.537916 0.3794861      7.834911 
1 1 1 -21 7  8  o 376.1503 4.863296 17139.93       442.5735 17095.26       623.5688 17185.27       628.2441 375.6577 6.861037 376.6428 6.894400 -0.9851074     9.726591 
1 1 1 -21 7  9  o 284.0823 3.827250 9774.421       263.0458 9758.311       371.3497 9790.645       372.6597 283.8477 5.407487 284.3169 5.417607 -0.4692383     7.654500 
1 1 1 -21 7  10 o 140.6952 2.456588 2395.829       83.61420 2373.844       117.3563 2418.496       119.1610 140.0400 3.463793 141.3504 3.484457 -1.310379      4.913176 
1 1 1 -21 7  11 o 212.3717 3.092083 5458.025       158.7877 5328.786       220.1939 5598.047       229.1961 209.7567 4.338976 214.9867 4.406494 -5.230087      6.184165 
1 1 1 -21 7  12 o 272.1521 3.707684 8977.187       244.1072 9057.396       347.9634 8899.458       342.5399 273.3470 5.261589 270.9572 5.225263 2.389832       7.415369 
1 1 1 -21 7  13 o 188.4388 2.858976 4297.882       130.2768 4416.224       187.9049 4188.345       180.7799 190.9329 4.067757 185.9448 4.018500 4.988159       5.717953 
1 1 1 -21 7  14 o 74.25102 2.298732 667.3438       41.25010 625.4153       57.68081 711.2343       59.01495 71.86330 3.317583 76.63875 3.182815 -4.775444      4.597463 
1 1 1 -21 7  15 o 90.97133 2.218097 1000.550       48.74341 925.3592       67.49715 1082.500       70.46583 87.40398 3.191919 94.53868 3.080823 -7.134705      4.436194 
1 1 1 -21 7  16 o 333.7803 6.239704 13577.39       503.8799 0.000000       0.000000 13577.39       503.8799 ?        ?        333.7803 6.239704 ?              ?        
1 1 1 -21 7  17 o 55.22426 3.374526 372.4264       43.72532 366.6865       70.79294 375.9667       55.59818 54.83459 5.336211 55.61392 4.132138 -0.7793274     6.749053 
1 1 1 -21 7  18 o 144.1323 3.429623 2526.007       119.5941 2526.007       119.5941 0.000000       0.000000 144.1323 3.429623 ?        ?        ?              ?        
1 1 1 -21 9  1  o 150.0461 2.650308 2723.628       96.20181 2676.567       135.0858 2772.057       137.0349 148.7311 3.754098 151.3611 3.742094 -2.629944      5.300615 
1 1 1 -21 9  2  f 228.3949 3.285558 6309.627       181.5036 6438.188       260.3351 6188.032       253.1840 230.6573 4.665124 226.1325 4.627762 4.524811       6.571116 
1 1 1 -21 9  3  o 329.7788 6.147101 13164.38       490.4508 13164.38       490.4508 0.000000       0.000000 329.7788 6.147101 ?        ?        ?              ?        
1 1 1 -21 9  4  o 256.1440 4.358064 7999.435       256.5034 8129.279       317.9214 7757.288       434.1583 259.1720 5.070251 253.1161 7.089671 6.055878       8.716128 
1 1 1 -21 9  5  o 526.3784 8.111364 33549.09       971.5446 33777.52       1693.252 33436.97       1186.238 527.4745 13.26838 525.2823 9.334191 2.192139       16.22273 
1 1 1 -21 9  6  o 227.2716 3.261365 6251.709       179.3264 6232.215       253.0697 6271.369       254.1454 226.9159 4.609703 227.6274 4.614828 -0.7115326     6.522729 
1 1 1 -21 9  7  o 478.3955 6.067800 27754.13       702.2866 27869.22       996.4655 27640.55       989.9332 479.3794 8.591729 477.4117 8.570586 1.967712       12.13560 
1 1 1 -21 9  8  o 298.6288 4.882254 10856.31       334.8367 10958.12       414.0502 10663.89       569.2177 300.7613 5.690216 296.4964 7.935179 4.264923       9.764508 
1 1 1 -21 9  9  o 262.9174 3.616305 8371.944       229.9995 8272.146       322.0227 8475.869       328.6143 261.3197 5.093449 264.5150 5.134922 -3.195282      7.232610 
1 1 1 -21 9  10 o 355.3434 4.634122 15315.21       398.3781 15230.90       559.9844 15401.61       566.8618 354.3565 6.531806 356.3304 6.575398 -1.973907      9.268245 
1 1 1 -21 9  11 o 202.8936 3.015299 4983.317       147.9657 5115.485       212.5274 4858.988       206.1293 205.5021 4.274610 200.2850 4.253917 5.217056       6.030597 
1 1 1 -21 9  12 o 528.4711 6.673317 34033.63       853.1951 34217.67       1213.068 33853.45       1200.235 529.8745 9.462586 527.0676 9.412338 2.806885       13.34663 
1 1 1 -21 9  13 o 343.2859 4.512410 14297.84       374.5092 14660.47       542.0732 13966.68       518.0174 347.4321 6.448901 339.1397 6.313402 8.292358       9.024819 
1 1 1 -21 9  14 o 96.40683 2.374693 1125.716       55.38531 1134.167       78.82323 1117.475       77.83933 96.76383 3.366967 96.04982 3.349656 0.7140121      4.749385 
1 1 1 -21 9  15 o 297.7057 4.003151 10749.13       287.7975 11234.68       422.9561 10330.48       392.7363 303.9245 5.752112 291.4870 5.569029 12.43744       8.006303 
1 1 1 -21 9  16 o 109.3230 2.303426 1448.764       60.90881 1475.482       87.33916 1423.467       84.98520 110.3026 3.272812 108.3434 3.242190 1.959160       4.606853 
1 1 1 -21 9  17 o 89.35033 3.085185 969.0692       66.69292 0.000000       0.000000 969.0692       66.69292 ?        ?        89.35033 3.085185 ?              ?        
1 1 1 -21 9  18 o 79.04424 2.906403 759.1647       55.58125 0.000000       0.000000 759.1647       55.58125 ?        ?        79.04424 2.906403 ?              ?        
1 1 1 -21 9  19 o 179.4721 3.967169 3982.303       172.2309 3906.008       241.0552 4061.868       246.1678 177.7194 5.606339 181.2247 5.614506 -3.505280      7.934338 
1 1 1 -21 9  20 o 23.01695 4.587502 66.93713       30.11320 17.63236       44.39676 108.9471       40.98103 17.03299 6.909018 29.00091 6.037068 -11.96792      9.175005 
1 1 1 -21 11 1  o 116.5170 2.567203 1630.411       72.04355 1438.510       97.53326 1860.840       106.8765 109.0281 3.697532 124.0060 3.562356 -14.97784      5.134406 
1 1 1 -21 11 2  o 249.2322 4.965823 7519.222       299.4317 7519.222       299.4317 0.000000       0.000000 249.2322 4.965823 ?        ?        ?              ?        
1 1 1 -21 11 4  o 463.0878 5.891132 25904.29       658.2123 24794.70       891.7139 27232.60       975.6434 452.2542 8.149682 473.9214 8.509079 -21.66721      11.78226 
1 1 1 -21 11 5  o 496.3307 6.281724 29786.75       752.2844 28607.71       1019.887 31193.77       1114.131 485.6265 8.680548 507.0348 9.082308 -21.40833      12.56345 
1 1 1 -21 11 6  o 93.73521 2.450895 1063.341       55.57880 1055.906       78.13647 1070.955       79.07247 93.40372 3.457700 94.06671 3.474457 -0.6629944     4.901790 
1 1 1 -21 11 7  o 314.5500 4.188220 11989.76       318.7257 12021.34       451.9762 11958.52       449.5263 314.9613 5.931384 314.1388 5.914680 0.8225403      8.376440 
1 1 1 -21 11 8  o 99.48204 2.409045 1197.701       57.97487 1219.099       82.73885 1177.063       81.25888 100.3547 3.407763 98.60938 3.406044 1.745316       4.818090 
1 1 1 -21 11 9  o 82.66736 4.589737 827.8406       91.79610 0.000000       0.000000 827.8406       91.79610 ?        ?        82.66736 4.589737 ?              ?        
1 1 1 -21 11 10 o 177.9057 2.816376 3830.719       121.1762 3924.723       174.3398 3742.860       168.5450 180.0147 4.003006 175.7966 3.962808 4.218109       5.632753 
1 1 1 -21 11 11 o 141.3069 2.544362 2416.050       86.94565 2349.968       120.7678 2487.157       125.2755 139.3033 3.583334 143.3106 3.613147 -4.007233      5.088724 
1 1 1 -21 11 12 o 281.9122 3.841292 9635.825       261.9021 9833.521       376.5727 9450.607       364.4935 284.7062 5.467006 279.1181 5.397585 5.588165       7.682583 
1 1 1 -21 11 13 o 132.7984 2.532813 2129.625       81.24313 2265.396       119.0438 2011.259       111.1521 136.7467 3.598218 128.8501 3.565584 7.896667       5.065625 
1 1 1 -21 11 14 o 111.1217 3.508678 1496.512       94.32890 0.000000       0.000000 1496.512       94.32890 ?        ?        111.1217 3.508678 ?              ?        
1 1 1 -21 11 15 o 32.74967 4.375447 133.3645       33.50523 187.4779       49.34912 87.08879       45.63556 39.25416 5.196266 26.24517 7.041090 13.00899       8.750894 
1 1 1 -21 11 16 o 119.3394 3.091114 1774.414       84.44759 1872.557       105.4631 1599.048       140.9754 124.1752 3.510454 114.5036 5.088875 9.671547       6.182228 
1 1 1 -21 11 17 o 29.53880 4.454947 106.8563       31.57741 147.9182       47.99266 75.50938       41.93269 34.70459 5.715912 24.37302 6.834806 10.33157       8.909895 
1 1 1 -21 11 18 o 77.65948 3.337547 734.7151       62.70819 0.000000       0.000000 734.7151       62.70819 ?        ?        77.65948 3.337547 ?              ?        
1 1 1 -21 11 19 o 20.33921 4.529233 48.67990       25.53234 71.10921       38.18639 30.54561       34.33608 23.46128 6.502331 17.21713 6.306781 6.244143       9.058465 
1 1 1 -21 11 20 o 36.66434 5.293174 178.7550       45.33751 171.0886       65.13363 185.9607       63.14639 35.77747 7.749000 37.55122 7.212752 -1.773750      10.58635 
1 1 1 -21 13 1  o 171.7480 4.038456 3571.026       167.8067 0.000000       0.000000 3571.026       167.8067 ?        ?        171.7480 4.038456 ?              ?        
1 1 1 -21 13 2  o 499.9567 6.332155 30119.73       761.2684 32391.31       1155.844 28379.42       1011.692 516.4138 9.251219 483.4995 8.648681 32.91428       12.66431 
1 1 1 -21 13 3  o 207.0176 3.117669 5187.934       156.1248 5121.858       218.4517 5256.921       223.2131 205.6714 4.390149 208.3638 4.427871 -2.692459      6.235339 
1 1 1 -21 13 4  f 413.4155 5.331837 20728.77       533.1841 21038.33       763.5126 20434.11       744.9041 416.4212 7.578463 410.4098 7.502056 6.011383       10.66367 
1 1 1 -21 13 5  o 329.1537 4.366638 13133.38       347.7343 13105.68       491.3536 13161.18       492.1887 328.8058 6.176641 329.5015 6.174076 -0.6956482     8.733276 
1 1 1 -21 13 6  o 180.6025 2.890172 3949.583       126.2835 3928.619       178.4207 3970.629       178.7636 180.1220 4.094267 181.0831 4.080363 -0.9611053     5.780345 
1 1 1 -21 13 7  o 275.4161 3.775127 9183.096       251.3456 9432.963       364.4544 8956.467       347.0934 278.9790 5.399697 271.8532 5.277274 7.125793       7.550255 
1 1 1 -21 13 8  o 366.0146 4.772983 16258.24       422.6411 16156.99       594.3400 16361.82       601.1274 364.8650 6.732873 367.1643 6.767118 -2.299347      9.545966 
1 1 1 -21 13 9  o 65.76973 2.810486 523.5635       44.70007 535.3590       64.42376 512.6132       62.07267 66.48293 4.005286 65.05653 3.943730 1.426399       5.620972 
1 1 1 -21 13 12 f 105.8826 2.557023 1354.424       65.40385 1457.098       95.27439 1262.914       89.94548 109.6681 3.590819 102.0971 3.641359 7.570984       5.114047 
1 1 1 -21 13 13 o 106.5397 3.683665 1375.945       94.94980 0.000000       0.000000 1375.945       94.94980 ?        ?        106.5397 3.683665 ?              ?        
1 1 1 -21 13 14 o 122.0778 2.567720 1807.833       75.83242 1836.545       107.4313 1779.322       107.0562 123.0459 3.608788 121.1096 3.653682 1.936272       5.135440 
1 1 1 -21 13 15 o 121.9402 3.048855 1821.667       86.35471 1856.206       108.5226 1762.046       142.5815 123.6268 3.628319 120.2536 4.900752 3.373146       6.097710 
1 1 1 -21 13 16 o 84.77992 3.489733 874.1407       71.57932 0.000000       0.000000 874.1407       71.57932 ?        ?        84.77992 3.489733 ?              ?        
1 1 1 -21 13 17 o 86.08260 2.601149 891.2025       53.54850 983.6550       83.67676 827.0807       69.68641 89.77806 3.852408 82.38714 3.496120 7.390923       5.202298 
1 1 1 -21 13 18 o 59.80124 3.017127 435.6288       42.96592 456.3827       67.63185 421.5844       55.63568 60.92085 4.588629 58.68162 3.918763 2.239235       6.034254 
1 1 1 -21 13 19 o 67.46444 2.744113 549.9836       44.27244 620.9576       69.31142 501.0695       57.54024 71.03680 4.032915 63.89207 3.722394 7.144733       5.488226 
1 1 1 -21 13 20 o 73.60541 2.633476 664.6378       46.68369 706.5962       70.14883 631.2828       62.54494 75.63622 3.833436 71.57459 3.611861 4.061630       5.266951 
1 1 1 -21 15 1  o 296.3803 4.025192 10647.41       288.5977 10738.05       411.7269 10559.86       404.6429 297.6172 5.718062 295.1433 5.666785 2.473938       8.050385 
1 1 1 -21 15 2  o 264.5976 3.698292 8479.616       236.6577 8317.156       329.1363 8653.511       340.5232 261.9786 5.192872 267.2166 5.267214 -5.238037      7.396585 
1 1 1 -21 15 3  f 169.5017 2.850595 3479.247       116.8983 3493.518       165.7397 3465.120       164.9018 169.8475 4.033343 169.1559 4.029357 0.6915588      5.701191 
1 1 1 -21 15 4  o 158.2894 2.768849 3032.729       106.0107 3103.370       151.9257 2965.696       147.9951 160.0847 3.922645 156.4941 3.908831 3.590607       5.537698 
1 1 1 -21 15 5  o 303.0772 4.096084 11137.86       300.3334 11068.28       422.2366 11209.11       427.2794 302.1213 5.776599 304.0331 5.808830 -1.911835      8.192167 
1 1 1 -21 15 6  o 130.6886 2.665382 2068.216       84.27308 2051.176       118.7084 2085.530       119.6576 130.1459 3.770062 131.2313 3.768777 -1.085388      5.330765 
1 1 1 -21 15 7  o 279.9616 3.846957 9503.443       260.5521 9559.443       370.7946 9448.821       366.2011 280.7740 5.458510 279.1492 5.422268 1.624847       7.693914 
1 1 1 -21 15 8  o 200.2867 3.072034 4859.588       148.8393 4915.528       212.6963 4805.911       208.3521 201.4144 4.364829 199.1590 4.324100 2.255371       6.144067 
1 1 1 -21 15 9  o 109.7820 2.631604 1460.209       69.87801 1480.416       98.15972 1439.447       99.49873 110.5542 3.669913 109.0098 3.772680 1.544464       5.263209 
1 1 1 -21 15 10 o 209.6381 3.176435 5327.164       161.0949 5270.378       226.1875 5385.622       229.4937 208.5053 4.483831 210.7709 4.500469 -2.265594      6.352870 
1 1 1 -21 15 11 o 142.8111 2.731541 2467.789       94.27398 2635.536       136.2070 2313.531       130.6158 147.4652 3.817750 138.1571 3.907692 9.308090       5.463083 
1 1 1 -21 15 12 o 185.0806 2.973555 4153.223       133.0997 4291.730       191.2319 4023.080       185.3678 188.0717 4.202761 182.0895 4.207721 5.982117       5.947110 
1 1 1 -21 15 13 o 137.8984 2.679958 2303.781       89.32980 2410.029       129.6855 2207.856       123.2248 140.9169 3.803874 134.8800 3.776141 6.036880       5.359916 
1 1 1 -21 15 14 o 51.09276 3.692689 317.4508       45.56956 339.1041       66.76475 298.5656       62.35155 52.71742 5.234687 49.46810 5.209785 3.249321       7.385378 
1 1 1 -21 15 15 o 31.82043 5.524507 129.6850       42.12627 143.9957       62.64033 117.8684       56.92064 33.39638 7.879911 30.24448 7.745173 3.151905       11.04901 
1 1 1 -21 15 16 o 29.32462 5.747533 110.8359       41.60053 113.1414       66.02631 109.3181       53.57120 29.60869 8.665061 29.04055 7.553361 0.5681400      11.49507 
1 1 1 -21 15 17 o 100.6825 3.620646 1238.553       88.19466 0.000000       0.000000 1238.553       88.19466 ?        ?        100.6825 3.620646 ?              ?        
1 1 1 -21 15 18 o 51.42377 3.794576 322.2580       46.39632 366.7383       74.33702 293.8743       59.38222 54.18348 5.670691 48.66407 5.043659 5.519405       7.589152 
1 1 1 -21 15 19 o 47.77893 4.718856 293.6570       54.28284 322.8741       76.41251 263.8905       77.12753 50.34348 6.273631 45.21439 7.050671 5.129093       9.437712 
1 1 1 -21 15 20 o 45.54925 6.297379 283.9587       64.72350 317.3111       111.7054 267.1029       79.41196 46.28758 10.24569 44.81091 7.324869 1.476673       12.59476 
1 1 1 -21 17 1  o 177.0339 2.967416 3779.667       126.7792 3556.000       172.0263 4045.567       187.5655 171.3300 4.150106 182.7377 4.242505 -11.40775      5.934832 
1 1 1 -21 17 2  o 126.4538 2.745500 1936.815       83.99084 1911.218       118.6633 1962.513       118.8990 125.6157 3.904544 127.2920 3.860778 -1.676338      5.490999 
1 1 1 -21 17 3  o 220.2883 3.290763 5880.271       175.3746 5815.199       246.4987 5946.973       249.5640 219.0545 4.651148 221.5221 4.656532 -2.467560      6.581525 
1 1 1 -21 17 4  o 167.2360 2.871281 3386.230       116.1428 3482.850       166.4252 3294.500       162.1593 169.5605 4.056879 164.9115 4.064326 4.649017       5.742562 
1 1 1 -21 17 5  o 188.9262 4.278074 4324.741       195.5433 4324.741       195.5433 0.000000       0.000000 188.9262 4.278074 ?        ?        ?              ?        
1 1 1 -21 17 6  o 109.3928 2.758941 1446.318       72.93309 1535.263       106.0762 1366.574       100.4404 112.5753 3.894684 106.2102 3.908766 6.365128       5.517882 
1 1 1 -21 17 7  o 130.0377 2.720443 2048.018       85.57552 2091.734       122.1570 2005.891       119.9182 131.4002 3.842554 128.6752 3.852013 2.725006       5.440885 
1 1 1 -21 17 8  o 371.6320 4.872033 16736.43       436.9292 17583.29       646.5694 16024.66       592.7543 380.2147 7.028845 363.0493 6.748493 17.16534       9.744065 
1 1 1 -21 17 9  o 72.56578 3.323743 639.8632       58.19417 695.1936       82.39202 584.7819       82.20627 75.71004 4.498103 69.42152 4.894502 6.288528       6.647487 
1 1 1 -21 17 10 o 149.0458 2.831769 2690.519       102.0295 2606.759       140.8515 2782.993       147.9965 146.6116 3.970917 151.4800 4.038254 -4.868408      5.663539 
1 1 1 -21 17 11 o 102.9451 2.691839 1285.213       67.01279 1341.376       95.77752 1231.351       93.79441 105.1507 3.764861 100.7395 3.848351 4.411186       5.383677 
1 1 1 -21 17 12 o 166.0645 2.861213 3343.652       114.7869 3469.510       167.9370 3233.296       157.2553 168.9807 4.107778 163.1483 3.984010 5.832352       5.722427 
1 1 1 -21 17 13 o 103.9298 2.818971 1309.052       70.68426 1379.834       104.8152 1250.012       95.72710 106.4843 4.068519 101.3753 3.903018 5.109032       5.637943 
1 1 1 -21 17 14 o 36.19863 5.368785 160.1470       46.45147 232.4042       71.85748 108.2758       60.88276 43.34288 6.852546 29.05438 8.266682 14.28849       10.73757 
1 1 1 -21 17 15 o 85.81335 2.949120 886.0297       60.69801 1016.017       93.62354 791.7780       79.72229 91.13956 4.245959 80.48714 4.094029 10.65242       5.898241 
1 1 1 -21 17 16 o 43.31626 4.807015 228.6987       48.33402 300.0229       77.49291 183.2837       61.83617 48.98446 6.538850 37.64807 7.047910 11.33638       9.614031 
1 1 1 -21 17 17 o 66.49133 3.439859 534.4307       54.61583 637.7978       86.04832 464.6947       70.67728 71.71302 4.959548 61.26965 4.767955 10.44337       6.879718 
1 1 1 -21 17 18 o 32.92207 5.443972 117.5333       48.33219 271.1184       80.63023 31.39764       60.38301 45.74272 7.285739 20.10143 8.091064 25.64128       10.88794 
1 1 1 -21 17 19 o 60.11691 3.906670 458.9895       55.20180 471.1722       89.62082 451.5419       70.07202 60.39102 6.133865 59.84280 4.839833 0.5482178      7.813340 
1 1 1 -21 17 20 o 20.80090 6.724906 -30.18898      72.63352 51.51696       121.3210 -75.83582      90.68063 24.69715 10.77422 16.90465 8.050694 7.792501       13.44981 
1 1 1 -21 19 1  o 119.9331 2.867288 1743.232       83.17014 1736.956       119.0552 1749.214       116.2362 119.7193 4.110376 120.1469 3.998771 -0.4275513     5.734576 
1 1 1 -21 19 2  o 239.7094 3.498071 6967.718       202.8411 6885.971       283.9959 7052.850       289.8140 238.2770 4.926376 241.1418 4.967577 -2.864746      6.996142 
1 1 1 -21 19 3  o 125.1657 2.827427 1892.945       85.49321 1792.493       117.1372 2007.451       125.0630 121.6236 3.980838 128.7079 4.016255 -7.084229      5.654854 
1 1 1 -21 19 4  o 112.7831 2.853281 1541.525       77.85102 1544.309       110.7589 1538.807       109.4488 112.8827 4.055540 112.6835 4.014654 0.1991882      5.706562 
1 1 1 -21 19 5  f 142.6534 2.849919 2465.720       98.34185 2508.519       140.7199 2424.863       137.4891 143.8621 4.043029 141.4446 4.017719 2.417435       5.699838 
1 1 1 -21 19 6  o 375.2541 4.927731 17119.53       446.9359 17645.70       649.8240 16647.19       615.6826 380.6888 7.055429 369.8194 6.881210 10.86932       9.855462 
1 1 1 -21 19 7  o 97.84987 3.398012 1155.680       78.37566 1133.871       99.70052 1190.958       126.8039 96.68429 4.262252 99.01546 5.293311 -2.331169      6.796024 
1 1 1 -21 19 8  o 63.98507 3.524783 496.6645       54.49899 532.3086       78.68372 463.7963       75.55769 66.19217 4.913331 61.77797 5.055252 4.414204       7.049566 
1 1 1 -21 19 9  o 51.23256 4.143611 319.6675       51.25953 347.6346       73.47867 293.1537       71.54390 53.42531 5.684757 49.03982 6.030057 4.385490       8.287223 
1 1 1 -21 19 10 o 87.96149 3.016893 937.6398       64.10606 1006.107       93.50494 876.9156       88.05927 90.98432 4.247817 84.93866 4.285163 6.045662       6.033785 
1 1 1 -21 19 11 o 102.6054 2.875534 1275.541       71.12646 1338.758       106.0691 1223.888       95.87727 104.8901 4.179768 100.3208 3.950232 4.569359       5.751069 
1 1 1 -21 19 12 o 117.6233 2.828609 1654.745       79.65536 1904.891       124.0750 1479.359       103.8924 125.0267 4.101843 110.2199 3.896023 14.80677       5.657218 
1 1 1 -21 19 13 o 64.12468 3.837642 496.2540       58.24911 663.2037       88.54525 368.8838       77.34037 73.54177 4.976556 54.70760 5.843276 18.83418       7.675283 
1 1 1 -21 19 14 o 72.59163 3.314403 643.9298       57.98485 680.6015       86.69412 614.2451       77.99925 74.42340 4.814795 70.75985 4.556184 3.663551       6.628806 
1 1 1 -21 19 15 o 80.58446 3.268476 792.9340       63.24841 942.3973       93.91383 668.8726       85.56194 87.53136 4.434693 73.63754 4.802629 13.89382       6.536952 
1 1 1 -21 19 16 o 75.86039 3.358087 711.0590       61.26159 733.1954       92.38751 693.6878       81.84185 76.82379 4.970674 74.89699 4.516570 1.926804       6.716175 
1 1 1 -21 19 17 f 60.50149 4.127961 473.8741       58.85268 401.9820       89.18513 529.3281       78.32828 55.97182 6.585985 65.03116 4.978457 -9.059341      8.255921 
1 1 1 -21 19 18 o 38.22265 6.338315 202.9639       57.08611 256.1674       89.97624 167.1185       73.85413 42.31980 9.061152 34.12550 8.865241 8.194302       12.67663 
1 1 1 -21 19 19 o 31.86702 6.627650 165.1532       57.19789 105.2308       97.10419 196.9904       70.78012 26.95168 10.44081 36.78235 8.166550 -9.830675      13.25530 
1 1 1 -21 21 1  o 164.8996 2.972502 3299.971       118.5858 3302.990       167.1432 3296.912       168.2738 164.9776 4.187564 164.8216 4.219879 0.1559296      5.945004 
1 1 1 -21 21 2  o 168.3031 2.982086 3433.771       121.3463 3334.913       167.9083 3541.852       175.5670 165.7741 4.186519 170.8321 4.247870 -5.057953      5.964171 
1 1 1 -21 21 3  f 83.64230 4.590786 849.5994       92.89992 0.000000       0.000000 849.5994       92.89992 ?        ?        83.64230 4.590786 ?              ?        
1 1 1 -21 21 4  f 247.4996 5.067574 7446.663       303.4429 7446.663       303.4429 0.000000       0.000000 247.4996 5.067574 ?        ?        ?              ?        
1 1 1 -21 21 5  o 72.22643 3.456708 635.5211       60.08730 556.4070       84.36037 716.9885       85.60585 67.63422 5.155487 76.81863 4.606113 -9.184410      6.913416 
1 1 1 -21 21 6  o 133.6823 2.861054 2162.548       92.36761 2298.945       135.6476 2044.627       126.1265 137.5957 4.074787 129.7689 4.017291 7.826828       5.722108 
1 1 1 -21 21 7  o 27.41284 6.274024 86.45641       51.29255 27.74439       76.95747 133.3851       68.80285 22.49377 9.106012 32.33191 8.633311 -9.838139      12.54805 
1 1 1 -21 21 8  o 31.24748 6.390449 121.6795       50.39297 137.6350       79.13480 110.7959       65.35800 32.88055 9.447366 29.61441 8.608057 3.266134       12.78090 
1 1 1 -21 21 9  o 103.6932 3.011981 1304.810       75.39294 1432.156       110.1133 1192.426       103.4425 108.4491 4.196736 98.93733 4.321518 9.511757       6.023962 
1 1 1 -21 21 10 o 106.0113 2.984900 1340.398       75.70122 1631.531       117.2536 1132.311       99.12956 115.6711 4.189856 96.35141 4.252485 19.31973       5.969801 
1 1 1 -21 21 11 o 74.05682 3.454635 667.2648       61.66741 745.3691       91.68098 602.7307       83.33675 77.99094 4.858842 70.12270 4.912195 7.868248       6.909270 
1 1 1 -21 21 12 o 40.25203 5.889079 202.8479       56.35236 271.7648       86.69135 152.4189       74.15712 46.50177 7.705556 34.00229 8.907827 12.49948       11.77816 
1 1 1 -21 21 13 o 48.20062 5.033710 287.7877       55.71529 398.8546       86.07945 207.7099       73.09087 56.54080 6.292674 39.86045 7.858449 16.68036       10.06742 
1 1 1 -21 21 14 o 82.27400 3.383720 823.0848       66.64867 936.4243       103.8391 743.6813       86.91409 86.95129 4.936086 77.59671 4.629611 9.354576       6.767440 
1 1 1 -21 21 15 o 53.04979 4.522343 346.1790       56.83101 463.7945       88.76095 264.4644       73.98430 60.57885 6.056178 45.52073 6.717816 15.05812       9.044685 
1 1 1 -21 21 16 o 78.75224 3.663936 781.8051       69.75904 755.5328       99.20937 807.4974       98.10821 77.37038 5.299997 80.13411 5.060409 -2.763725      7.327872 
1 1 1 -21 21 17 o 20.96157 6.497428 10.23067       62.83714 14.81627       92.99150 6.377378       85.24343 21.54644 9.415333 20.37670 8.956438 1.169741       12.99486 
1 1 1 -21 21 18 o 33.85625 7.493285 187.7809       68.38724 227.3179       102.4649 156.0221       91.83434 36.83182 10.79889 30.88068 10.39140 5.951141       14.98657 
1 1 1 -21 23 1  o 109.0918 2.945727 1443.110       77.58104 1581.287       113.1464 1320.506       106.5801 114.0132 4.101884 104.1703 4.228921 9.842903       5.891454 
1 1 1 -21 23 2  o 103.1830 3.013797 1297.782       75.11024 1241.627       107.7440 1350.871       104.7626 100.9863 4.409896 105.3798 4.109099 -4.393509      6.027593 
1 1 1 -21 23 3  o 113.7638 2.890133 1572.952       79.40296 1445.361       110.5105 1709.119       114.1641 108.9828 4.191248 118.5448 3.980567 -9.561989      5.780266 
1 1 1 -21 23 4  o 42.14201 5.319684 222.9865       52.43195 221.0160       80.08115 224.4650       69.36744 41.55122 8.257019 42.73279 6.709530 -1.181568      10.63937 
1 1 1 -21 23 5  o 61.52622 3.870578 455.4467       57.05643 553.7947       86.83101 380.7147       75.69118 67.29127 5.333519 55.76118 5.610622 11.53009       7.741156 
1 1 1 -21 23 6  o 146.8752 4.036495 2627.737       143.4350 0.000000       0.000000 2627.737       143.4350 ?        ?        146.8752 4.036495 ?              ?        
1 1 1 -21 23 7  o 87.74059 3.245289 932.9753       68.44646 1006.332       104.1550 877.2146       90.80774 90.72128 4.745353 84.75990 4.428230 5.961388       6.490578 
1 1 1 -21 23 8  o 18.78508 5.866215 -17.75249      52.11100 -25.01573      78.10270 -11.92478      69.95998 18.95293 8.439524 18.61723 8.150113 0.3357010      11.73243 
1 1 1 -21 23 9  o 110.6778 2.990650 1494.139       79.93717 1561.333       117.4074 1436.074       109.1411 112.9725 4.295568 108.3831 4.162216 4.589378       5.981299 
1 1 1 -21 23 10 o 139.3551 2.937647 2368.714       98.85545 2537.298       145.2114 2223.099       134.9566 143.9530 4.169440 134.7572 4.139425 9.195847       5.875293 
1 1 1 -21 23 11 o 32.65758 6.657296 142.3004       55.30324 137.8753       83.56683 145.7486       73.76775 32.25056 9.824599 33.06459 8.986413 -0.8140259     13.31459 
1 1 1 -21 23 12 o 48.42653 7.497255 299.2745       87.83912 299.2745       87.83912 0.000000       0.000000 48.42653 7.497255 ?        ?        ?              ?        
1 1 1 -21 23 13 o 126.6324 3.052634 1971.744       93.27005 2144.780       138.0476 1826.415       126.5134 131.7070 4.332291 121.5579 4.301809 10.14913       6.105268 
1 1 1 -21 23 14 o 24.72841 6.432216 59.32933       57.94221 -32.04676      89.11871 126.2404       76.26083 19.28544 8.762206 30.17138 9.418989 -10.88594      12.86443 
1 1 1 -21 23 15 o 58.92092 4.619332 453.4175       65.62137 490.0935       92.33990 415.9969       93.27238 61.54259 6.201708 56.29925 6.847754 5.243343       9.238664 
1 1 1 -21 23 16 o 64.08322 4.620927 547.4460       71.44055 501.4862       100.5843 594.2336       101.4861 61.12096 6.802021 67.04549 6.256546 -5.924522      9.241854 
1 1 1 -21 23 17 o 60.17656 5.466203 518.8976       78.29275 415.0468       107.3971 636.6873       114.3776 52.91650 8.388787 67.43661 7.010403 -14.52012      10.93241 
1 1 1 -21 25 1  o 47.56438 5.168238 290.1920       56.74960 260.1459       86.62405 312.7835       75.11328 44.84018 8.290252 50.28859 6.173691 -5.448414      10.33648 
1 1 1 -21 25 2  o 181.6977 3.117689 4004.405       136.3700 4395.226       205.7886 3698.412       182.0910 189.4965 4.488672 173.8989 4.328021 15.59766       6.235378 
1 1 1 -21 25 3  o 55.19473 4.336759 377.6585       57.21587 370.8452       87.48117 382.7517       75.63602 54.65978 6.615222 55.72967 5.609703 -1.069889      8.673518 
1 1 1 -21 25 4  o 32.82112 6.429581 141.8448       52.20691 133.3866       83.55180 147.2623       66.86773 32.09373 9.832769 33.54851 8.287021 -1.454773      12.85916 
1 1 1 -21 25 5  o 83.38528 3.348964 850.6190       67.37035 887.5352       99.84576 819.7643       91.28133 85.01075 4.854601 81.75980 4.614661 3.250946       6.697928 
1 1 1 -21 25 6  o 37.19914 6.225678 173.3931       55.82640 259.5068       87.70869 114.7464       72.38166 44.59097 8.439115 29.80732 9.155197 14.78366       12.45136 
1 1 1 -21 25 7  o 126.9102 3.043355 1971.019       93.23299 2039.249       137.3914 1912.782       126.9316 128.8996 4.405603 124.9207 4.199843 3.978912       6.086709 
1 1 1 -21 25 8  o 29.42255 8.299219 25.43786       99.02405 -105.5324      134.5414 180.2498       146.2756 21.82245 10.21137 37.02266 13.08572 -15.20020      16.59844 
1 1 1 -21 25 9  o 95.62532 3.289399 1130.325       75.96880 1094.568       109.5708 1163.426       105.4215 94.09953 4.812879 97.15112 4.485172 -3.051582      6.578797 
1 1 1 -21 25 10 o 20.45312 6.253493 2.916329       56.79996 -18.57968      87.56599 18.53046       74.63034 20.06465 8.935257 20.84158 8.751335 -0.7769318     12.50699 
1 1 1 -21 25 11 o 109.2827 3.271824 1476.503       86.28014 1585.021       127.7605 1385.515       116.9872 112.9260 4.676277 105.6393 4.577310 7.286705       6.543648 
1 1 1 -21 25 12 o 22.67451 6.663265 30.41658       61.49565 -3.278842      87.19170 63.76837       86.74597 20.50695 9.034597 24.84206 9.796554 -4.335106      13.32653 
1 1 1 -21 25 13 o 56.49203 5.013409 421.3090       68.44846 400.0446       96.65825 442.6993       96.94385 54.93916 7.272013 58.04492 6.903252 -3.105762      10.02682 
1 1 1 -21 25 14 o 17.23152 5.749103 -74.19205      63.78793 -26.58965      88.26974 -126.2221      92.28357 18.81297 8.613482 15.65006 7.616865 3.162908       11.49821 
1 1 1 -21 25 15 o 28.56854 7.407933 125.9535       70.07003 68.34319       96.60988 189.8950       101.7801 23.94245 9.998398 33.19463 10.93352 -9.252178      14.81587 
1 1 1 -21 27 1  o 54.89015 4.786024 371.0872       62.48518 482.1284       96.16490 289.9484       82.20329 61.94367 6.416783 47.83663 7.102746 14.10704       9.572048 
1 1 1 -21 27 2  o 92.06822 3.389664 1039.815       75.01656 1113.273       114.0646 983.8256       99.58276 94.83928 4.971191 89.29716 4.609397 5.542114       6.779328 
1 1 1 -21 27 3  o 21.32751 6.287550 -1.522468      55.51442 70.51071       88.09800 -48.96340      71.49512 26.11165 9.989171 16.54337 7.638691 9.568281       12.57510 
1 1 1 -21 27 4  o 63.19639 4.326009 491.0413       65.48672 585.5830       101.1775 422.8809       85.90888 68.32698 6.120532 58.06579 6.115267 10.26119       8.652018 
1 1 1 -21 27 5  o 52.76170 4.985855 341.5174       62.22023 462.5921       97.95597 259.6302       80.55865 60.45138 6.697649 45.07203 7.387589 15.37935       9.971709 
1 1 1 -21 27 6  o 57.55439 6.208870 439.5377       74.17256 437.8346       141.2610 440.1860       87.15353 55.98856 10.82003 59.12023 6.093216 -3.131672      12.41774 
1 1 1 -21 27 7  o 36.75841 6.942292 187.6162       62.95326 210.4921       92.31273 167.7283       86.07313 38.81691 9.821785 34.69990 9.813979 4.117008       13.88458 
1 1 1 -21 27 8  o 81.44591 3.823057 830.3076       75.01266 943.0629       109.4494 730.4282       103.0109 86.74644 5.215064 76.14538 5.591618 10.60106       7.646115 
1 1 1 -21 27 9  o 53.82444 5.164444 376.3960       66.94408 429.0104       98.03374 330.4246       91.63618 57.46664 7.051109 50.18224 7.547701 7.284401       10.32889 
1 1 1 -21 27 10 o 36.83381 6.866195 196.8607       62.80495 237.4819       90.13218 158.5224       87.56277 40.72541 9.345820 32.94221 10.06152 7.783207       13.73239 
1 1 1 -21 27 11 o 23.11787 6.968153 30.48587       70.31721 71.44992       97.94900 -13.07737      101.0087 25.37667 10.27311 20.85907 9.417207 4.517603       13.93631 
1 1 1 -21 27 12 o 28.00581 7.437627 113.0996       68.64059 83.86217       92.57381 148.8020       102.2979 25.43267 10.09140 30.57894 10.92871 -5.146267      14.87525 
1 1 1 -21 27 13 o 31.90712 7.632962 176.6142       72.33648 217.9941       100.0103 131.2167       104.7529 35.63117 10.72410 28.18308 10.86472 7.448088       15.26592 
1 1 1 -20 0  1  o 497.6689 6.261632 30011.82       1065.455 30011.82       1065.455 30011.82       1065.455 497.6689 8.855285 497.6689 8.855285 0.000000       0.000000 
1 1 1 -20 0  2  o 73.73969 1.991489 660.6956       50.07902 660.6956       50.07902 660.6956       50.07902 73.73969 2.816391 73.73969 2.816391 0.000000       0.000000 
1 1 1 -20 0  3  o 681.0105 8.441207 56226.41       1965.507 56226.41       1965.507 56226.41       1965.507 681.0105 11.93767 681.0105 11.93767 0.000000       0.000000 
1 1 1 -20 0  4  o 176.6235 2.694996 3779.437       162.6924 3779.437       162.6924 3779.437       162.6924 176.6235 3.811300 176.6235 3.811300 0.000000       0.000000 
1 1 1 -20 0  5  o 199.6602 2.921121 4829.089       199.3602 4829.089       199.3602 4829.089       199.3602 199.6602 4.131089 199.6602 4.131089 0.000000       0.000000 
1 1 1 -20 0  6  o 334.9259 4.377525 13586.98       501.2563 13586.98       501.2563 13586.98       501.2563 334.9259 6.190755 334.9259 6.190755 0.000000       0.000000 
1 1 1 -20 0  7  o 289.9087 3.873854 10180.02       383.9475 10180.02       383.9475 10180.02       383.9475 289.9087 5.478457 289.9087 5.478457 0.000000       0.000000 
1 1 1 -20 0  8  o 498.5683 6.276525 30116.28       1069.918 30116.28       1069.918 30116.28       1069.918 498.5683 8.876347 498.5683 8.876347 0.000000       0.000000 
1 1 1 -20 0  9  f 416.4442 5.315575 21011.23       756.8418 21011.23       756.8418 21011.23       756.8418 416.4442 7.517358 416.4442 7.517358 0.000000       0.000000 
1 1 1 -20 0  10 o 132.8308 2.328330 2138.671       105.6713 2138.671       105.6713 2138.671       105.6713 132.8308 3.292756 132.8308 3.292756 0.000000       0.000000 
1 1 1 -20 0  11 o 274.9556 3.719104 9161.215       349.5905 9161.215       349.5905 9161.215       349.5905 274.9556 5.259608 274.9556 5.259608 0.000000       0.000000 
1 1 1 -20 0  12 o 234.0605 3.286448 6639.262       262.9576 6639.262       262.9576 6639.262       262.9576 234.0605 4.647740 234.0605 4.647740 0.000000       0.000000 
1 1 1 -20 2  1  o 306.9869 4.677376 11494.00       303.9131 11585.84       353.4994 11233.79       595.0294 309.4143 4.722217 304.5595 8.075397 4.854767       9.354752 
1 1 1 -20 2  2  o 602.6010 8.543567 45017.37       1119.168 46345.17       1330.001 41796.55       2071.425 618.5237 8.887782 586.6782 14.59375 31.84546       17.08713 
1 1 1 -20 2  3  o 399.4761 5.854033 19641.02       501.8631 20022.33       590.0524 18643.66       954.2750 406.7119 5.996548 392.2402 10.05586 14.47171       11.70807 
1 1 1 -20 2  4  o 743.7798 10.51462 68232.66       1683.107 69574.34       1982.625 64770.97       3184.639 757.6868 10.81555 729.8728 18.03477 27.81396       21.02925 
1 1 1 -20 2  5  o 569.1625 8.221073 39139.12       975.3268 39021.78       1122.637 39500.30       1969.582 567.6970 8.173733 570.6279 14.26654 -2.930969      16.44215 
1 1 1 -20 2  6  o 437.0381 6.389390 23246.41       589.1584 23369.55       683.6831 22891.14       1161.254 439.4124 6.431026 434.6637 11.04261 4.748657       12.77878 
1 1 1 -20 2  7  o 288.7415 4.476932 9980.336       267.3467 9879.708       306.0327 10304.58       549.3447 285.7435 4.426792 291.7395 7.783007 -5.995941      8.953864 
1 1 1 -20 2  8  o 387.2850 5.796190 17804.62       457.9360 17505.69       520.1938 18834.03       965.3276 380.3137 5.653545 394.2562 10.12031 -13.94250      11.59238 
1 1 1 -20 2  9  o 104.5078 2.665891 1366.450       63.85030 1483.191       80.56671 1169.304       104.6979 110.7188 3.007684 98.29678 4.402469 12.42197       5.331781 
1 1 1 -20 2  10 o 729.5054 10.42028 65470.95       1616.435 66178.35       1887.091 63521.71       3132.488 738.2603 10.56528 720.7504 17.96397 17.50995       20.84057 
1 1 1 -20 2  11 o 107.9088 2.141907 1402.865       55.79280 1518.817       82.17891 1303.719       75.98990 112.0265 3.032056 103.7912 3.026168 8.235306       4.283814 
1 1 1 -20 2  12 o 182.6250 2.755358 4015.341       121.3430 4324.222       180.7786 3762.066       163.6996 188.9782 3.953966 176.2718 3.838507 12.70644       5.510715 
1 1 1 -20 2  13 o 142.0155 3.371272 2441.779       115.8329 2441.779       115.8329 0.000000       0.000000 142.0155 3.371272 ?        ?        ?              ?        
1 1 1 -20 4  1  o 635.4612 7.899627 48846.61       1212.606 47328.24       1659.995 50583.82       1775.605 624.9146 10.97953 646.0079 11.36073 -21.09332      15.79925 
1 1 1 -20 4  2  o 381.2326 4.910696 17584.97       452.7423 17905.78       651.8250 17285.93       629.3168 384.5877 7.005405 377.8774 6.883607 6.710327       9.821392 
1 1 1 -20 4  3  o 645.1846 8.009171 50433.84       1249.849 49785.23       1743.508 51119.50       1792.622 640.9276 11.24379 649.4415 11.40897 -8.513916      16.01834 
1 1 1 -20 4  4  o 758.9784 9.372954 69810.80       1720.251 68611.57       2388.046 71104.34       2480.174 752.2255 13.12177 765.7313 13.38762 -13.50580      18.74591 
1 1 1 -20 4  5  o 417.3812 5.327232 21074.11       537.6239 20676.78       745.0626 21505.71       776.5442 413.2831 7.451485 421.4792 7.615313 -8.196075      10.65446 
1 1 1 -20 4  6  o 1101.453 13.53298 147477.8       3606.210 148045.2       5121.405 146919.8       5078.766 1103.542 19.18217 1099.364 19.09476 4.177979       27.06595 
1 1 1 -20 4  7  o 338.7119 6.262579 13886.40       513.1993 0.000000       0.000000 13886.40       513.1993 ?        ?        338.7119 6.262579 ?              ?        
1 1 1 -20 4  8  o 343.9344 4.480468 14319.83       372.8217 14329.71       527.4892 14309.96       527.0100 344.0529 6.337034 343.8158 6.335644 0.2371216      8.960937 
1 1 1 -20 4  9  o 447.0895 5.677621 24219.70       614.1269 24143.07       865.9730 24297.23       871.0626 446.3791 8.018594 447.8000 8.040129 -1.420898      11.35524 
1 1 1 -20 4  10 o 392.4076 5.044165 18660.22       478.8039 18865.47       684.6445 18463.74       669.8594 394.5149 7.172977 390.3003 7.093857 4.214539       10.08833 
1 1 1 -20 4  11 o 219.6838 3.138892 5844.017       166.8305 5831.283       235.5923 5856.824       236.2771 219.4438 4.437470 219.9237 4.440656 -0.4799042     6.277783 
1 1 1 -20 4  12 o 23.35516 3.358335 67.77053       18.68230 95.72003       27.17017 42.70520       25.73013 28.11521 3.994374 18.59511 5.399873 9.520100       6.716670 
1 1 1 -20 4  13 o 111.8377 2.573180 1553.833       60.50977 1596.393       70.50706 1434.860       117.8836 114.8488 2.537486 108.8267 4.477296 6.022179       5.146360 
1 1 1 -20 4  14 o 214.8081 4.367757 5591.209       226.9925 5591.209       226.9925 0.000000       0.000000 214.8081 4.367757 ?        ?        ?              ?        
1 1 1 -20 4  15 o 230.6815 4.604652 6451.830       256.9874 6451.830       256.9874 0.000000       0.000000 230.6815 4.604652 ?        ?        ?              ?        
1 1 1 -20 6  1  o 604.2518 7.523318 44218.61       1099.539 43632.90       1533.560 44838.24       1577.330 600.1419 10.56196 608.3617 10.71663 -8.219788      15.04664 
1 1 1 -20 6  2  o 1055.338 18.42197 135879.2       4702.307 137775.1       6745.505 134086.9       6558.568 1062.429 26.24293 1048.247 25.86087 14.18201       36.84394 
1 1 1 -20 6  3  o 1108.623 19.34947 149991.3       5185.811 153480.1       7513.545 146817.4       7166.448 1120.787 27.70891 1096.459 27.01526 24.32800       38.69894 
1 1 1 -20 6  4  o 514.9634 6.470974 32114.47       806.2079 32067.36       1138.521 32161.85       1141.787 514.5850 9.144952 515.3418 9.157722 -0.7567749     12.94195 
1 1 1 -20 6  5  o 740.4236 9.158181 66415.19       1639.450 65024.13       2268.865 67935.09       2371.613 732.3365 12.80547 748.5107 13.09615 -16.17419      18.31636 
1 1 1 -20 6  6  o 537.3744 6.731645 34974.41       875.0680 35310.73       1249.922 34651.09       1225.505 539.9040 9.568950 534.8448 9.470763 5.059143       13.46329 
1 1 1 -20 6  7  o 518.0835 6.503170 32517.69       815.1305 32516.30       1152.430 32519.08       1153.107 518.0727 9.194363 518.0944 9.199381 -0.2166748E-01 13.00634 
1 1 1 -20 6  8  o 357.6426 4.644083 15482.22       401.7293 15728.05       576.3486 15249.92       560.2553 360.4005 6.609940 354.8847 6.525239 5.515808       9.288167 
1 1 1 -20 6  9  o 418.5396 5.360588 21226.53       542.7141 21515.27       776.6613 20951.01       758.6816 421.3162 7.619406 415.7630 7.542431 5.553192       10.72118 
1 1 1 -20 6  10 o 224.9314 3.200375 6126.164       174.1614 6117.242       245.9465 6135.137       246.6579 224.7672 4.522779 225.0955 4.529247 -0.3282318     6.400751 
1 1 1 -20 6  11 o 452.7443 5.755836 24882.04       630.2713 25274.56       905.1207 24512.54       878.1668 456.1961 8.200731 449.2924 8.078776 6.903656       11.51167 
1 1 1 -20 6  12 o 134.1708 2.388450 2177.888       77.50301 2254.933       111.2228 2105.166       108.0573 136.4761 3.368488 131.8654 3.387044 4.610641       4.776900 
1 1 1 -20 6  13 o 214.2972 3.097407 5562.261       160.5619 5470.995       224.5428 5657.752       229.6819 212.4999 4.367552 216.0944 4.393199 -3.594528      6.194813 
1 1 1 -20 6  14 o 96.06520 2.183604 1117.116       50.72232 1066.143       71.14014 1169.822       72.33928 93.83549 3.133612 98.29491 3.041871 -4.459412      4.367208 
1 1 1 -20 6  15 f 115.1921 3.135977 1607.036       87.39729 0.000000       0.000000 1607.036       87.39729 ?        ?        115.1921 3.135977 ?              ?        
1 1 1 -20 6  16 o 176.0424 3.840301 3761.685       163.4201 3608.566       225.5182 3930.993       237.1414 172.2798 5.410593 179.8050 5.451343 -7.525131      7.680603 
1 1 1 -20 6  17 o 81.88570 2.858148 812.8066       56.62329 812.8066       56.62329 0.000000       0.000000 81.88570 2.858148 ?        ?        ?              ?        
1 1 1 -20 8  1  o 817.8910 10.09342 81152.85       1997.219 80812.15       2812.746 81499.31       2836.392 816.1646 14.24461 819.6174 14.30384 -3.452820      20.18685 
1 1 1 -20 8  2  o 238.1411 3.367119 6854.998       193.8583 6673.428       268.0363 7054.154       280.7172 234.8388 4.717603 241.4433 4.805642 -6.604553      6.734239 
1 1 1 -20 8  3  o 565.8160 7.073463 38774.86       968.1270 38331.88       1353.796 39238.50       1385.014 562.5139 9.947589 569.1181 10.05888 -6.604248      14.14693 
1 1 1 -20 8  4  o 190.2709 2.892649 4379.997       133.1486 4422.846       189.7571 4338.438       186.8769 191.1873 4.102387 189.3544 4.079227 1.832886       5.785298 
1 1 1 -20 8  5  o 745.1534 9.214200 67348.23       1660.994 67869.23       2367.771 66843.42       2330.669 747.9821 13.08417 742.3248 12.97730 5.657288       18.42840 
1 1 1 -20 8  6  o 310.0006 4.124338 11628.97       309.2651 11466.37       432.0902 11799.77       442.8418 307.7803 5.802715 312.2209 5.862521 -4.440521      8.248675 
1 1 1 -20 8  7  o 431.4433 5.507154 22551.01       574.8455 22511.75       811.4577 22590.56       814.4592 431.0670 7.780703 431.8196 7.795872 -0.7526245     11.01431 
1 1 1 -20 8  8  o 441.7064 5.622437 23646.64       600.7160 23356.47       839.2123 23951.54       860.2601 438.9342 7.902603 444.4786 7.999753 -5.544434      11.24487 
1 1 1 -20 8  9  o 213.5065 3.093556 5517.058       159.7558 5429.727       222.8282 5609.424       229.1626 211.7698 4.349145 215.2433 4.400600 -3.473495      6.187111 
1 1 1 -20 8  12 o 255.9547 3.546585 7939.641       219.6017 7878.723       308.0612 8002.580       313.1282 254.9588 4.994186 256.9507 5.036978 -1.991959      7.093169 
1 1 1 -20 8  13 o 164.3525 3.769240 3271.697       149.8761 3271.697       149.8761 0.000000       0.000000 164.3525 3.769240 ?        ?        ?              ?        
1 1 1 -20 8  14 o 291.7136 3.929218 10323.20       277.2246 10502.28       398.1018 10154.61       386.2752 294.1623 5.593773 289.2650 5.519486 4.897278       7.858437 
1 1 1 -20 8  15 o 120.4863 2.359699 1758.855       68.78524 1755.819       97.33097 1761.885       97.22316 120.3821 3.341849 120.5904 3.332381 -0.2082901     4.719398 
1 1 1 -20 8  17 o 147.7232 3.476837 2649.795       124.2611 0.000000       0.000000 2649.795       124.2611 ?        ?        147.7232 3.476837 ?              ?        
1 1 1 -20 8  18 o 38.19860 3.789019 180.4098       34.35695 170.4938       53.19339 187.5074       45.00324 37.23546 5.904711 39.16174 4.749847 -1.926277      7.578038 
1 1 1 -20 8  19 o 38.77440 3.394657 183.2931       31.72487 200.7139       47.42639 169.1850       42.67958 40.42407 4.849285 37.12473 4.751760 3.299347       6.789315 
1 1 1 -20 10 1  o 365.4677 4.771718 16165.16       421.7724 15963.78       587.4753 16379.36       605.9040 363.1224 6.687045 367.8130 6.808860 -4.690582      9.543435 
1 1 1 -20 10 2  o 285.9486 3.881217 9891.302       268.4116 10089.44       385.9758 9705.752       373.5135 288.7191 5.525635 283.1782 5.451855 5.540894       7.762433 
1 1 1 -20 10 3  o 476.4922 6.033813 27497.00       695.4840 27178.88       973.5323 27828.57       993.9100 473.6811 8.494973 479.3033 8.571057 -5.622162      12.06763 
1 1 1 -20 10 4  o 36.53511 4.243935 163.9551       35.82079 118.7269       48.73059 217.1218       52.83441 30.71614 6.742316 42.35408 5.156075 -11.63795      8.487869 
1 1 1 -20 10 5  o 211.6963 3.831361 5471.627       186.7677 5271.862       314.1635 5580.818       232.2688 208.6574 6.223283 214.7352 4.470800 -6.077789      7.662722 
1 1 1 -20 10 6  o 209.5616 3.101470 5309.881       157.1503 5483.832       227.1542 5150.197       217.6392 212.8491 4.411097 206.2741 4.361041 6.575012       6.202939 
1 1 1 -20 10 7  o 370.6801 4.820380 16575.94       430.8023 15786.26       580.7619 17542.09       642.3806 360.9257 6.650864 380.4344 6.979274 -19.50879      9.640759 
1 1 1 -20 10 8  o 264.9194 5.175611 8500.504       331.4548 8799.524       480.7681 8229.625       457.5863 269.3480 7.377676 260.4908 7.260697 8.857208       10.35122 
1 1 1 -20 10 9  o 81.46234 5.001286 803.9263       98.56912 0.000000       0.000000 803.9263       98.56912 ?        ?        81.46234 5.001286 ?              ?        
1 1 1 -20 10 10 o 265.8200 4.473158 8529.013       270.1078 8692.445       473.7329 8450.290       328.7873 267.5757 7.317867 264.0642 5.146397 3.511536       8.946316 
1 1 1 -20 10 11 o 447.1806 5.709774 24268.22       616.8630 25101.76       901.7670 23535.15       845.6835 454.3483 8.203574 440.0128 7.944018 14.33551       11.41955 
1 1 1 -20 10 12 o 258.0700 3.581891 8066.852       223.5035 8286.717       323.0885 7865.078       309.5119 261.4342 5.108070 254.7059 5.022686 6.728333       7.163781 
1 1 1 -20 10 13 o 41.52008 3.468630 209.0603       34.82705 208.6424       49.99417 209.4543       48.54361 41.47818 4.981928 41.56198 4.827625 -0.8380508E-01 6.937259 
1 1 1 -20 10 14 o 152.5282 2.634587 2815.074       97.13967 2923.674       140.9674 2716.876       134.0462 155.3233 3.751282 149.7330 3.700280 5.590286       5.269174 
1 1 1 -20 10 15 o 99.14081 2.363904 1188.400       56.62653 1257.370       82.62319 1127.306       77.76173 101.8458 3.353176 96.43576 3.332925 5.410088       4.727808 
1 1 1 -20 10 16 o 62.70246 2.553370 479.1013       38.56859 450.7404       56.11711 504.4913       53.09660 60.92489 3.807134 64.48003 3.403605 -3.555134      5.106740 
1 1 1 -20 10 18 f 135.3612 3.407501 2231.182       111.5918 0.000000       0.000000 2231.182       111.5918 ?        ?        135.3612 3.407501 ?              ?        
1 1 1 -20 10 19 o 85.96328 2.937383 899.8409       61.09081 0.000000       0.000000 899.8409       61.09081 ?        ?        85.96328 2.937383 ?              ?        
1 1 1 -20 10 20 o 92.08138 3.227820 1043.546       71.64092 925.5205       98.09274 1178.465       104.8784 86.47179 4.688783 97.69096 4.437410 -11.21917      6.455640 
1 1 1 -20 12 1  o 195.7887 3.023953 4636.837       143.1813 4531.444       199.0228 4749.907       206.1425 193.4849 4.251611 198.0925 4.301275 -4.607635      6.047905 
1 1 1 -20 12 2  o 242.9138 3.457203 7125.267       202.8583 7471.188       297.2910 6823.868       277.5003 248.4142 4.946556 237.4135 4.831210 11.00078       6.914405 
1 1 1 -20 12 3  o 360.3968 4.718536 15723.07       411.1669 15354.33       569.3362 16125.03       594.4310 355.9897 6.610419 364.8038 6.735034 -8.814117      9.437072 
1 1 1 -20 12 4  o 379.6120 4.928616 17418.86       451.7738 16760.64       616.0337 18184.79       664.5279 371.8862 6.846869 387.3378 7.091220 -15.45160      9.857232 
1 1 1 -20 12 5  o 438.0638 5.593894 23276.28       592.8273 23126.15       832.9430 23430.40       843.9340 436.6364 7.884842 439.4912 7.936993 -2.854828      11.18779 
1 1 1 -20 12 6  o 360.9975 4.715836 15794.52       411.7745 15593.40       574.7539 16006.62       590.2285 358.6425 6.623962 363.3525 6.714130 -4.709930      9.431671 
1 1 1 -20 12 7  o 80.47127 2.499562 783.4681       48.64973 802.1925       69.83175 765.8098       67.81480 81.40482 3.545688 79.53771 3.524107 1.867104       4.999124 
1 1 1 -20 12 8  o 175.2200 2.804677 3717.077       118.8803 3753.081       169.8098 3682.469       166.4838 176.0511 3.986774 174.3889 3.945946 1.662201       5.609354 
1 1 1 -20 12 9  o 213.6634 3.140020 5528.164       162.2814 5432.396       226.6010 5628.995       232.5143 211.7657 4.422868 215.5611 4.458380 -3.795380      6.280041 
1 1 1 -20 12 10 o 139.7806 2.559866 2362.754       86.50975 2262.133       119.8380 2472.252       125.0126 136.6771 3.624067 142.8841 3.616324 -6.207001      5.119732 
1 1 1 -20 12 11 o 140.4188 2.590179 2388.033       87.99310 2385.849       124.8076 2390.191       124.0776 140.3544 3.675470 140.4832 3.650622 -0.1287994     5.180359 
1 1 1 -20 12 12 o 230.2578 3.335685 6427.709       185.8179 6487.990       264.0262 6368.548       261.5634 231.3274 4.717562 229.1882 4.717178 2.139191       6.671369 
1 1 1 -20 12 13 o 81.76463 2.644279 810.7186       52.27225 784.1198       74.42002 836.6202       73.43803 80.43668 3.824136 83.09257 3.653058 -2.655884      5.288558 
1 1 1 -20 12 14 o 68.42667 2.785901 567.8807       46.11700 576.9402       65.64219 559.0509       64.80447 68.96576 3.934117 67.88757 3.945594 1.078194       5.571803 
1 1 1 -20 12 15 o 63.69556 2.860137 497.4790       43.45676 402.8760       61.53923 591.5789       61.37537 57.57261 4.418083 69.81850 3.633468 -12.24590      5.720274 
1 1 1 -20 12 16 o 59.52590 2.909879 426.2051       41.60876 504.0333       62.48746 364.2085       55.77101 64.35948 4.013082 54.69232 4.214828 9.667160       5.819759 
1 1 1 -20 12 17 f 75.51244 2.584848 682.9374       46.80993 790.9275       72.17219 604.5241       61.49971 80.57187 3.702407 70.45302 3.608039 10.11885       5.169696 
1 1 1 -20 12 18 o 133.7651 2.523701 2172.330       81.38396 2315.361       121.4887 2055.893       109.6138 137.7129 3.646353 129.8173 3.490039 7.895630       5.047402 
1 1 1 -20 12 19 o 36.49314 4.738481 209.4986       37.48833 75.05057       62.71626 284.2427       46.76185 24.87583 8.583294 48.11046 4.017444 -23.23463      9.476961 
1 1 1 -20 12 20 o 44.56224 2.926522 250.2589       30.89079 211.3843       46.11687 281.8963       41.60329 41.24366 4.621685 47.88081 3.591400 -6.637154      5.853045 
1 1 1 -20 14 1  o 422.7853 5.433054 21678.51       555.4664 21272.91       771.2341 22115.69       800.6897 418.6911 7.613603 426.8796 7.752764 -8.188507      10.86611 
1 1 1 -20 14 2  o 160.3369 2.784396 3097.496       107.7421 2891.546       146.3056 3341.525       159.2579 154.5426 3.913004 166.1312 3.962302 -11.58852      5.568791 
1 1 1 -20 14 3  o 101.3238 2.625253 1242.117       64.32314 1298.950       92.11707 1188.037       89.85828 103.5851 3.675704 99.06252 3.749268 4.522552       5.250506 
1 1 1 -20 14 4  o 272.1711 3.771133 8962.102       248.0719 9271.096       360.8614 8685.237       341.5850 276.6074 5.392304 267.7349 5.273409 8.872467       7.542266 
1 1 1 -20 14 5  o 141.1845 2.662624 2413.246       90.94409 2425.297       129.4290 2401.493       127.8149 141.5322 3.779845 140.8368 3.751138 0.6953583      5.325248 
1 1 1 -20 14 6  o 251.0724 3.543277 7636.886       215.2070 7727.427       307.2133 7549.645       301.5627 252.5319 5.028303 249.6129 4.993536 2.918976       7.086553 
1 1 1 -20 14 7  o 409.7751 5.280625 20353.06       522.7241 19689.74       715.7667 21111.15       765.1929 402.6614 7.347323 416.8887 7.586624 -14.22733      10.56125 
1 1 1 -20 14 8  o 158.0724 2.729048 3025.992       104.3660 3001.650       147.0050 3050.730       148.1937 157.4315 3.859564 158.7133 3.859350 -1.281845      5.458096 
1 1 1 -20 14 9  o 223.6808 3.274114 6063.206       177.1803 6107.946       251.5503 6019.155       249.6025 224.4996 4.631343 222.8620 4.629251 1.637573       6.548229 
1 1 1 -20 14 10 o 109.0429 2.598784 1435.620       68.44135 1331.407       93.98399 1553.282       99.86484 104.8421 3.705237 113.2438 3.644986 -8.401749      5.197567 
1 1 1 -20 14 11 o 131.2715 2.668450 2084.257       84.67474 2199.526       122.5344 1978.906       117.1437 134.7403 3.758879 127.8028 3.788579 6.937523       5.336900 
1 1 1 -20 14 12 o 114.6386 2.650581 1592.841       73.51106 1581.133       104.2156 1604.435       103.7070 114.2180 3.771340 115.0592 3.725496 -0.8411865     5.301162 
1 1 1 -20 14 13 o 138.2837 3.771592 2319.273       126.1821 0.000000       0.000000 2319.273       126.1821 ?        ?        138.2837 3.771592 ?              ?        
1 1 1 -20 14 14 o 135.9253 2.617890 2232.603       85.89848 2414.205       126.5071 2077.254       117.0061 141.0304 3.707658 130.8202 3.696845 10.21021       5.235780 
1 1 1 -20 14 15 o 22.23212 5.207487 46.38786       37.87022 -13.35689      54.78968 101.0412       52.40315 16.33428 7.180035 28.12996 7.544453 -11.79568      10.41497 
1 1 1 -20 14 17 o 101.1324 3.565939 1247.697       87.25020 0.000000       0.000000 1247.697       87.25020 ?        ?        101.1324 3.565939 ?              ?        
1 1 1 -20 14 18 o 41.63718 4.402348 227.6263       40.64942 192.1118       66.42718 248.8868       51.39612 38.35579 7.426700 44.91858 4.729355 -6.562798      8.804696 
1 1 1 -20 14 19 o 36.88343 4.749782 178.9088       39.57286 165.5688       65.17531 186.6986       49.80427 35.12422 7.865293 38.64264 5.327181 -3.518417      9.499563 
1 1 1 -20 14 20 o 32.84286 6.622308 161.9944       58.78847 86.90066       96.50417 206.3058       74.13132 26.98734 10.42135 38.69840 8.174068 -11.71106      13.24462 
1 1 1 -20 16 1  o 353.5228 4.669935 15156.08       399.2412 14833.67       554.5507 15503.00       575.2423 349.6306 6.555859 357.4151 6.652359 -7.784515      9.339869 
1 1 1 -20 16 2  o 60.58745 3.453948 443.4995       50.52706 484.9344       73.53943 406.4487       69.54026 63.26168 4.804821 57.91322 4.963138 5.348465       6.907897 
1 1 1 -20 16 3  o 189.5303 3.016270 4349.997       138.2807 4293.868       193.1912 4408.965       198.0148 188.2784 4.241159 190.7822 4.290001 -2.503784      6.032540 
1 1 1 -20 16 4  o 256.8967 3.631829 7951.407       224.8494 7481.855       302.1388 8534.243       336.6184 248.4583 5.026326 265.3351 5.243736 -16.87682      7.263658 
1 1 1 -20 16 5  o 199.9790 3.098732 4844.605       149.9146 4770.326       211.0040 4920.319       213.0330 198.4303 4.395217 201.5276 4.369281 -3.097290      6.197464 
1 1 1 -20 16 6  f 360.1655 4.727731 15749.82       411.9602 15779.93       583.6387 15719.92       581.5661 360.5074 6.691563 359.8235 6.680474 0.6839294      9.455462 
1 1 1 -20 16 7  o 55.53561 3.681698 373.1796       49.41471 395.1736       71.77540 353.3614       68.13273 57.08815 5.196696 53.98307 5.216700 3.105080       7.363397 
1 1 1 -20 16 8  o 326.7986 4.360941 12950.51       344.4978 12608.95       475.3290 13328.45       499.9931 322.2786 6.096218 331.3186 6.237577 -9.039948      8.721883 
1 1 1 -20 16 9  o 184.5001 2.985002 4121.647       133.1762 4252.636       192.0580 4000.333       184.8291 187.3196 4.237861 181.6806 4.204936 5.639038       5.970004 
1 1 1 -20 16 10 o 123.2945 2.716889 1840.250       80.99303 1786.211       112.1483 1899.162       117.0946 121.4060 3.818125 125.1829 3.866245 -3.776878      5.433777 
1 1 1 -20 16 11 o 20.58677 5.782266 27.22645       42.91208 29.50207       63.25204 25.28588       58.41040 21.08393 8.349211 20.08960 8.001817 0.9943390      11.56453 
1 1 1 -20 16 12 o 162.3517 2.834429 3199.031       111.3332 3202.288       157.5179 3195.779       157.3801 162.4343 4.008203 162.2691 4.008774 0.1652222      5.668859 
1 1 1 -20 16 13 o 89.75436 2.806099 975.9944       60.84648 1046.019       88.66285 913.6569       83.65517 92.79079 3.949431 86.71793 3.987325 6.072868       5.612198 
1 1 1 -20 16 14 o 137.1844 2.717273 2277.309       89.91356 2450.125       133.6583 2134.456       121.5205 141.9027 3.893168 132.4662 3.791771 9.436493       5.434546 
1 1 1 -20 16 15 o 35.18435 5.382103 156.7183       44.31485 191.8795       67.64388 130.2816       58.65439 38.65228 7.504117 31.71642 7.717278 6.935850       10.76421 
1 1 1 -20 16 16 o 95.73401 3.678359 1118.729       85.19667 0.000000       0.000000 1118.729       85.19667 ?        ?        95.73401 3.678359 ?              ?        
1 1 1 -20 16 17 o 32.38004 5.550576 146.7224       45.37493 77.38966       73.50787 189.4036       57.67435 25.82239 9.260333 38.93768 6.122240 -13.11529      11.10115 
1 1 1 -20 16 18 o 31.98019 5.744430 138.0258       43.39383 134.7511       72.45770 139.8571       54.18573 31.45047 9.041048 32.50992 7.088961 -1.059456      11.48886 
1 1 1 -20 16 19 o 41.63850 5.085628 208.8760       48.01134 341.7586       81.53100 138.3346       59.40334 51.48753 6.545132 31.78947 7.785608 19.69806       10.17126 
1 1 1 -20 16 20 o 66.21440 5.874752 519.4365       78.24898 1147.055       139.0271 228.4355       94.66699 93.66236 6.135245 38.76645 10.02046 54.89592       11.74950 
1 1 1 -20 18 1  o 306.2429 4.165541 11367.12       308.3574 11068.41       425.3525 11698.00       447.6694 302.0191 5.821198 310.4667 5.959915 -8.447632      8.331082 
1 1 1 -20 18 2  o 239.7425 3.490220 6966.559       202.4113 6869.030       283.2587 7068.324       289.3439 238.0302 4.918684 241.4548 4.953089 -3.424606      6.980440 
1 1 1 -20 18 3  o 241.8465 3.508228 7055.350       204.6110 7538.411       304.6858 6658.557       276.1425 249.3378 5.050818 234.3552 4.870307 14.98268       7.016456 
1 1 1 -20 18 4  o 206.2007 3.188324 5147.971       158.9647 4994.768       220.2587 5314.525       229.6555 203.0043 4.484621 209.3971 4.533190 -6.392853      6.376647 
1 1 1 -20 18 5  o 178.6701 2.994306 3867.308       129.4120 3932.074       185.1432 3805.436       180.9609 180.1313 4.248310 177.2089 4.220821 2.922424       5.988612 
1 1 1 -20 18 6  o 194.7597 3.091098 4591.324       145.5363 4757.558       211.0103 4440.497       200.9936 198.1146 4.402351 191.4047 4.340376 6.709930       6.182197 
1 1 1 -20 18 7  o 69.13853 3.377977 580.2817       56.41641 542.1492       79.67320 618.6288       79.89699 66.85271 4.925961 71.42437 4.623615 -4.571663      6.755953 
1 1 1 -20 18 8  o 187.4753 3.046045 4260.206       138.1160 4194.418       192.4057 4330.144       198.3823 185.9861 4.275975 188.9645 4.339307 -2.978424      6.092089 
1 1 1 -20 18 9  o 62.00742 3.619880 469.3558       54.02695 424.5268       77.57227 511.5859       75.29012 59.10200 5.425029 64.91285 4.794077 -5.810852      7.239759 
1 1 1 -20 18 10 o 264.4700 3.730439 8492.374       238.4098 8815.596       347.6489 8205.409       327.5710 269.1948 5.337917 259.7452 5.212614 9.449585       7.460878 
1 1 1 -20 18 11 o 113.1682 2.779127 1555.180       76.03779 1555.210       109.6055 1555.152       105.5750 113.1611 4.003436 113.1753 3.855736 -0.1412964E-01 5.558255 
1 1 1 -20 18 12 o 99.18417 2.889534 1193.680       69.24540 1255.532       101.1627 1139.152       94.98460 101.5918 4.115849 96.77657 4.056773 4.815224       5.779067 
1 1 1 -20 18 13 o 178.6015 3.005519 3847.320       129.0389 4269.571       196.5536 3527.476       171.0665 187.0892 4.342402 170.1138 4.156457 16.97540       6.011039 
1 1 1 -20 18 14 o 106.0427 2.850957 1358.879       72.75707 1521.508       109.8816 1231.912       97.08974 111.6259 4.068719 100.4594 3.994664 11.16645       5.701913 
1 1 1 -20 18 15 f 17.78030 5.520988 -11.65356      45.70959 -46.30521      75.27542 8.586741       57.53070 17.33735 7.943890 18.22326 7.669411 -0.8859005     11.04198 
1 1 1 -20 18 16 o 63.94799 3.492593 483.8697       52.74706 661.0223       84.54601 370.9727       67.49330 73.16363 4.776343 54.73236 5.096995 18.43127       6.985185 
1 1 1 -20 18 17 o 35.25860 6.104714 175.3674       51.23495 139.3615       84.01698 196.6845       64.64632 31.87440 9.875860 38.64280 7.178966 -6.768393      12.20943 
1 1 1 -20 18 18 o 14.44052 4.907962 -87.28424      46.59346 -53.87238      77.97459 -105.8399      58.10860 16.87172 7.854468 12.00931 5.887250 4.862405       9.815925 
1 1 1 -20 18 19 o 17.76431 5.587727 -13.19405      50.44591 -92.16532      87.69159 25.86607       61.67231 16.25842 7.790043 19.27019 8.012864 -3.011770      11.17545 
1 1 1 -20 18 20 o 24.12824 7.441607 31.31046       81.45620 146.9364       132.7577 -38.50089      103.1561 29.17342 11.90405 19.08306 8.933292 10.09036       14.88321 
1 1 1 -20 20 1  o 208.2355 3.256609 5257.385       164.0279 5361.645       235.1509 5158.582       228.9157 210.2432 4.622984 206.2277 4.588030 4.015518       6.513217 
1 1 1 -20 20 2  o 245.4389 3.569654 7300.980       211.8022 7558.324       307.0735 7067.446       292.5232 249.5529 5.086013 241.3249 5.010208 8.227982       7.139308 
1 1 1 -20 20 3  o 221.3998 3.364763 5944.112       180.1864 5807.277       251.4271 6088.595       258.3583 218.7827 4.750035 224.0169 4.766938 -5.234161      6.729527 
1 1 1 -20 20 4  o 21.52669 6.135203 24.58387       49.28735 35.39709       70.66399 14.33959       68.77987 22.49108 8.850688 20.56230 8.498716 1.928778       12.27041 
1 1 1 -20 20 5  o 112.9846 2.911038 1547.717       79.55373 1597.432       113.4172 1499.568       111.6164 114.7724 4.084503 111.1968 4.148903 3.575607       5.822076 
1 1 1 -20 20 6  o 272.6779 3.835031 8949.119       251.3542 8293.167       333.0906 9816.649       383.0620 261.2253 5.270416 284.1306 5.572484 -22.90527      7.670062 
1 1 1 -20 20 7  o 241.2965 4.372385 6696.003       228.9940 8007.139       450.6766 6239.688       265.8729 255.9866 7.276884 226.6063 4.849532 29.38031       8.744770 
1 1 1 -20 20 8  o 59.71307 3.913263 434.7600       56.25703 491.0115       80.47006 380.9846       78.67909 63.51653 5.236550 55.90961 5.816618 7.606922       7.826526 
1 1 1 -20 20 9  o 20.97228 6.046117 20.63601       48.70927 4.490643       71.51920 34.60420       66.52252 20.10871 8.511686 21.83584 8.589141 -1.727135      12.09223 
1 1 1 -20 20 10 o 73.72447 3.310615 652.4702       58.60587 762.6022       89.31780 569.2075       77.66166 79.10757 4.666783 68.34137 4.697001 10.76620       6.621230 
1 1 1 -20 20 11 o 61.80024 3.846289 470.2629       57.07844 405.8904       80.87933 534.1342       80.56380 57.51015 5.812871 66.09033 5.038482 -8.580177      7.692579 
1 1 1 -20 20 12 o 95.04010 3.074094 1086.542       70.07243 1239.481       108.1234 975.7896       92.01004 100.6968 4.438145 89.38336 4.254772 11.31348       6.148188 
1 1 1 -20 20 13 o 33.10710 6.107590 132.8886       51.54823 220.0411       80.68874 72.79102       67.00415 41.04526 8.408200 25.16894 8.860745 15.87633       12.21518 
1 1 1 -20 20 14 o 26.99926 6.510560 81.10704       53.03388 132.6309       79.14786 39.12434       71.44475 31.68818 9.540854 22.31035 8.861244 9.377821       13.02112 
1 1 1 -20 20 15 o 41.38925 5.900236 216.7149       57.59190 295.3247       90.89079 163.9805       74.44379 47.94941 7.834916 34.82909 8.824128 13.12032       11.80047 
1 1 1 -20 20 16 o 40.22455 5.869110 212.1346       54.30652 259.0674       87.34272 182.5561       69.33884 43.68815 8.569598 36.76095 8.021708 6.927204       11.73822 
1 1 1 -20 20 17 o 55.66330 4.762897 411.2107       62.33736 352.3564       95.12956 455.5016       82.52470 51.54990 7.627555 59.77669 5.706237 -8.226784      9.525793 
1 1 1 -20 20 18 o 23.55858 6.805075 57.83415       61.17593 57.61323       91.85149 58.01029       82.01361 23.84227 9.834891 23.27489 9.408033 0.5673809      13.61015 
1 1 1 -20 20 19 o 60.01335 7.003780 566.7220       101.2665 610.7079       151.8232 531.4694       135.9180 61.71685 10.16792 58.30984 9.634584 3.407013       14.00756 
1 1 1 -20 22 1  o 85.65501 3.199807 890.6501       66.27193 928.6300       95.55492 855.4498       91.99191 87.41307 4.518292 83.89695 4.532117 3.516121       6.399613 
1 1 1 -20 22 2  o 119.5539 2.870948 1731.960       82.92949 1802.408       121.1719 1669.888       113.7406 121.8305 4.110962 117.2773 4.008659 4.553177       5.741895 
1 1 1 -20 22 3  o 59.02587 4.016186 424.1638       57.26806 432.6057       83.62753 416.7092       78.58593 59.56871 5.802682 58.48304 5.554086 1.085670       8.032372 
1 1 1 -20 22 4  o 69.31305 3.540202 585.9886       59.15439 567.6772       86.60904 602.0001       80.98750 68.27553 5.243194 70.35056 4.758259 -2.075035      7.080403 
1 1 1 -20 22 5  o 105.1653 2.929186 1342.314       74.47271 1387.145       107.9051 1301.535       102.9128 106.8363 4.174658 103.4944 4.110079 3.341942       5.858372 
1 1 1 -20 22 6  o 189.2001 3.121815 4342.554       142.6736 4598.445       209.0107 4119.283       195.2348 194.3964 4.444041 184.0038 4.385592 10.39258       6.243630 
1 1 1 -20 22 7  o 53.32436 4.367984 344.8636       55.46714 368.6540       87.64326 328.9683       71.63938 54.79184 6.611505 51.85689 5.710091 2.934944       8.735968 
1 1 1 -20 22 8  f 151.3238 4.182141 2789.680       153.1116 2789.680       153.1116 0.000000       0.000000 151.3238 4.182141 ?        ?        ?              ?        
1 1 1 -20 22 9  o 151.8831 2.929667 2801.027       107.3828 2990.801       158.9079 2641.537       145.6777 156.5814 4.194719 147.1849 4.090982 9.396484       5.859335 
1 1 1 -20 22 10 o 113.8652 2.955824 1559.759       80.77077 1786.715       124.1373 1393.135       106.3653 120.9224 4.243196 106.8081 4.116171 14.11435       5.911648 
1 1 1 -20 22 11 o 39.95893 5.814347 207.3130       53.82718 214.9947       82.82446 201.6961       70.82298 40.45797 8.718655 39.45989 7.694906 0.9980812      11.62869 
1 1 1 -20 22 12 o 118.1543 2.999030 1712.004       85.70011 1776.335       122.2382 1649.816       120.1844 120.3532 4.198047 115.9554 4.284054 4.397797       5.998059 
1 1 1 -20 22 13 o 82.13765 3.462850 829.7079       68.33788 876.1099       103.9655 794.4076       90.67976 84.06560 5.111738 80.20970 4.672843 3.855896       6.925700 
1 1 1 -20 22 14 o 96.78375 3.211598 1148.550       74.68716 1261.313       114.0401 1063.857       98.83200 100.8333 4.674675 92.73425 4.405094 8.099022       6.423195 
1 1 1 -20 22 15 o 72.11185 3.964621 657.1027       69.08914 670.1185       100.5092 645.4437       95.12643 72.72861 5.712134 71.49510 5.499492 1.233505       7.929243 
1 1 1 -20 22 16 o 101.1847 3.318955 1288.926       81.20771 1346.997       116.0550 1233.215       113.6721 103.4655 4.636242 98.90398 4.750484 4.561523       6.637909 
1 1 1 -20 22 17 o 24.04257 6.990090 63.89527       65.64795 47.70630       92.99981 79.97359       92.68146 22.98123 9.715655 25.10391 10.05244 -2.122688      13.98018 
1 1 1 -20 24 1  o 179.2221 3.081902 3892.574       133.1747 4239.254       198.5512 3609.062       179.5533 186.4143 4.402417 172.0299 4.314070 14.38434       6.163803 
1 1 1 -20 24 2  o 138.5614 2.919447 2335.052       97.76858 2453.363       142.1569 2228.863       134.6774 141.8820 4.141316 135.2408 4.116089 6.641235       5.838895 
1 1 1 -20 24 3  o 60.11813 4.029568 440.0750       58.29641 476.4774       88.16324 411.7932       77.70980 62.28682 5.850447 57.94943 5.542737 4.337387       8.059135 
1 1 1 -20 24 4  o 107.2973 2.948817 1382.677       75.96240 1601.652       116.2094 1219.307       100.3757 114.5980 4.191428 99.99654 4.148978 14.60143       5.897635 
1 1 1 -20 24 5  o 41.67134 5.517738 219.8673       53.82838 220.9479       82.63245 219.0707       70.94652 41.29159 8.552887 42.05109 6.973512 -0.7594986     11.03548 
1 1 1 -20 24 6  o 140.7174 2.888718 2405.510       98.08967 2578.758       145.2537 2260.271       132.9950 145.3391 4.130878 136.0957 4.039135 9.243408       5.777436 
1 1 1 -20 24 7  o 145.8761 2.973331 2542.393       103.7014 3023.187       162.3210 2210.828       134.7966 157.2434 4.266776 134.5088 4.142152 22.73466       5.946662 
1 1 1 -20 24 8  o 74.29350 3.789761 667.2170       67.46243 796.3550       103.9523 573.2540       88.67185 80.38889 5.344856 68.19811 5.374166 12.19077       7.579521 
1 1 1 -20 24 9  o 67.20824 3.902540 557.7034       63.27439 571.3857       93.52841 546.1562       85.92175 67.92002 5.691719 66.49645 5.340751 1.423569       7.805080 
1 1 1 -20 24 10 o 96.26078 3.242921 1128.946       75.10414 1300.873       112.6640 991.4377       100.7572 102.8083 4.529544 89.71321 4.642132 13.09514       6.485843 
1 1 1 -20 24 11 o 85.38863 3.493312 886.3611       71.47922 1057.193       110.0759 761.8037       93.99239 92.37421 4.925375 78.40305 4.955157 13.97116       6.986623 
1 1 1 -20 24 12 o 111.6161 3.142241 1539.358       84.74912 1598.336       123.6476 1487.101       116.3883 113.5969 4.499007 109.6353 4.387899 3.961647       6.284482 
1 1 1 -20 24 13 o 63.82378 4.499962 518.1680       67.35454 700.1764       99.89294 366.4388       91.20607 74.47278 5.544149 53.17477 7.089503 21.29801       8.999925 
1 1 1 -20 24 14 o 64.14397 4.184297 528.7009       64.87836 515.5767       92.85374 541.2200       90.68827 63.27127 6.065835 65.01668 5.765329 -1.745403      8.368594 
1 1 1 -20 24 15 o 47.32178 6.399701 325.5942       70.79778 335.8857       93.83082 311.9904       107.8790 49.37236 7.855238 45.27119 10.10544 4.101162       12.79940 
1 1 1 -20 24 16 o 32.44356 6.627504 164.4654       71.86166 303.2375       96.19819 -10.75080      108.0943 44.28580 9.275596 20.60131 9.468821 23.68449       13.25501 
1 1 1 -20 26 1  o 42.49323 5.818832 235.8036       57.70604 214.2675       88.26941 251.8778       76.25898 40.13979 9.275578 44.84667 7.028433 -4.706879      11.63766 
1 1 1 -20 26 2  o 35.08685 6.290875 151.6445       55.31989 245.8980       86.90917 87.44497       71.72703 43.29187 8.600834 26.88183 9.182924 16.41005       12.58175 
1 1 1 -20 26 3  o 91.70592 3.258387 1032.420       72.06734 1040.507       106.3751 1025.559       97.97907 91.98479 4.779929 91.42706 4.429516 0.5577316      6.516774 
1 1 1 -20 26 4  o 59.11903 4.344885 443.6320       60.67034 379.9169       91.89550 492.8624       80.77737 55.06664 6.897686 63.17143 5.285264 -8.104797      8.689770 
1 1 1 -20 26 5  o 44.67539 5.600095 250.0196       58.19909 340.1731       89.98626 185.1923       76.30691 51.98780 7.154387 37.36299 8.617367 14.62481       11.20019 
1 1 1 -20 26 6  o 55.16074 4.722003 376.1066       62.44740 453.8671       94.66075 316.1891       83.09348 60.18397 6.501099 50.13752 6.850178 10.04646       9.444005 
1 1 1 -20 26 7  o 60.45753 4.561725 458.3042       66.51852 470.6139       98.49789 447.9829       90.19263 61.12848 6.660105 59.78657 6.235411 1.341908       9.123450 
1 1 1 -20 26 8  o 42.68390 6.169666 237.7215       62.62924 315.3050       94.11952 176.0700       83.90089 49.50430 7.858407 35.86349 9.513388 13.64080       12.33933 
1 1 1 -20 26 9  o 106.8360 3.176595 1396.896       81.57334 1635.827       122.4652 1206.342       109.3670 115.0033 4.401496 98.66865 4.581470 16.33463       6.353191 
1 1 1 -20 26 10 o 20.70300 6.276785 -7.860164      60.88866 -86.96165      90.93365 56.43077       81.97986 17.28794 8.183455 24.11805 9.519622 -6.830118      12.55357 
1 1 1 -20 26 11 o 64.82069 4.713188 555.9391       71.37012 410.3409       102.9006 690.9081       99.07334 55.79696 7.622634 73.84441 5.545451 -18.04745      9.426376 
1 1 1 -20 26 12 o 27.64640 7.127913 97.71288       65.94955 152.0682       90.58884 36.41904       96.19709 32.04585 10.29842 23.24695 9.857544 8.798899       14.25583 
1 1 1 -20 26 13 o 45.81007 6.288607 305.5806       67.74747 225.6450       94.75301 389.1830       96.90190 38.23432 10.09452 53.38581 7.502469 -15.15149      12.57721 
1 1 1 -20 26 14 o 24.64517 7.101229 79.45452       66.99115 92.60085       92.61625 65.02937       97.01644 25.49298 10.10055 23.79735 9.984425 1.695625       14.20246 
1 1 1 -20 28 1  f 49.90030 5.649086 340.8064       63.21762 228.0430       91.96837 441.8114       87.04140 40.62450 9.522963 59.17611 6.079630 -18.55161      11.29817 
1 1 1 -20 28 2  o 46.03855 5.803158 271.1350       62.41114 347.8293       98.32367 219.3826       80.76855 51.80297 7.845148 40.27413 8.553375 11.52884       11.60632 
1 1 1 -20 28 3  o 58.68423 4.740643 437.1019       67.10954 458.8468       99.58126 419.0089       90.83503 59.94424 6.866380 57.42422 6.538165 2.520012       9.481286 
1 1 1 -20 28 4  o 40.18003 6.683847 220.7062       63.54282 252.9508       96.78002 196.2735       84.24463 42.69980 9.601326 37.66026 9.301064 5.039547       13.36769 
1 1 1 -20 28 5  o 31.83691 7.118596 140.7139       61.48388 130.4597       91.39462 149.1911       83.09887 30.94500 10.36672 32.72883 9.758516 -1.783834      14.23719 
1 1 1 -20 28 6  o 40.28584 6.550601 233.9365       64.94762 152.3759       98.57664 296.4985       86.33542 32.85380 10.75713 47.71786 7.478348 -14.86406      13.10120 
1 1 1 -20 28 7  o 81.82596 3.831447 841.6395       75.68074 917.6768       111.1170 775.8466       103.3609 85.27905 5.385621 78.37287 5.451150 6.906181       7.662894 
1 1 1 -20 28 8  o 38.45524 6.588580 204.5728       68.64026 340.3903       100.1311 84.17145       94.27718 50.30418 8.227395 26.60630 10.29308 23.69788       13.17716 
1 1 1 -20 28 9  o 25.72907 7.974255 32.94897       84.08120 16.35608       97.58327 80.77335       165.6682 22.17680 9.669105 29.28133 12.68319 -7.104532      15.94851 
1 1 1 -20 28 10 o 22.93892 7.708705 -85.28216      115.5621 -68.73290      152.1062 -107.8763      177.7278 22.63447 10.67438 23.24336 11.12448 -0.6088886     15.41741 
1 1 1 -20 28 11 o 37.83734 9.559278 278.4766       110.3053 270.4343       148.0255 288.5187       165.4085 37.69645 13.17635 37.97823 13.85291 -0.2817764     19.11856 
1 1 1 -20 28 12 o 43.95580 9.406880 404.9384       112.9728 461.5110       150.1959 331.2314       171.4388 49.80222 12.48818 38.10937 14.07135 11.69285       18.81376 
1 1 1 -19 1  1  o 146.6850 3.427927 2603.456       121.6521 2603.456       121.6521 0.000000       0.000000 146.6850 3.427927 ?        ?        ?              ?        
1 1 1 -19 1  2  o 222.0240 3.149288 5963.957       169.1367 5883.186       236.4937 6048.526       241.9918 220.4860 4.433393 223.5619 4.474046 -3.075958      6.298576 
1 1 1 -19 1  3  o 181.4595 2.736326 3984.279       120.1277 4001.836       170.4629 3966.956       169.3155 181.8566 3.874347 181.0624 3.865148 0.7941589      5.472653 
1 1 1 -19 1  4  o 403.2488 5.958660 19649.22       501.8204 19604.45       578.2401 19785.84       1010.019 402.4459 5.938796 404.0517 10.33215 -1.605804      11.91732 
1 1 1 -19 1  5  o 304.3036 4.634086 11314.23       299.1110 11430.22       348.5158 10989.89       582.7842 307.3402 4.687064 301.2670 7.995652 6.073181       9.268172 
1 1 1 -19 1  6  o 803.0585 11.52139 77460.66       1907.849 76719.94       2181.585 79869.13       3933.852 795.7039 11.33231 810.4131 20.06362 -14.70929      23.04278 
1 1 1 -19 1  7  o 225.2554 3.654125 6229.723       175.5082 6333.206       205.4260 5950.030       337.7245 228.7892 3.711227 221.7216 6.295818 7.067566       7.308251 
1 1 1 -19 1  8  o 431.6705 6.362842 22365.46       567.9736 22179.54       650.4229 22962.53       1165.564 428.0639 6.280365 435.2770 11.06797 -7.213104      12.72568 
1 1 1 -19 1  9  o 139.5914 2.360214 2357.657       79.70969 2350.489       112.6786 2364.838       112.7745 139.3790 3.341505 139.8038 3.334184 -0.4248505     4.720428 
1 1 1 -19 1  10 o 426.8553 5.441069 22021.47       560.7422 22968.35       825.7908 21211.33       763.8454 435.3319 7.840563 418.3788 7.546290 16.95316       10.88214 
1 1 1 -19 1  11 o 279.0591 3.761432 9417.939       253.6778 9135.845       349.0261 9733.835       369.3447 274.6407 5.252798 283.4774 5.385313 -8.836761      7.522864 
1 1 1 -19 1  12 o 330.1561 4.370877 13084.41       346.4554 12224.77       457.0977 14245.00       531.1151 317.5658 5.949399 342.7465 6.404913 -25.18076      8.741754 
1 1 1 -19 3  1  o 238.7894 3.815313 7048.852       195.8126 7232.221       230.8289 6578.228       369.7974 244.4772 3.902560 233.1015 6.557170 11.37567       7.630627 
1 1 1 -19 3  2  o 389.4902 5.015871 18359.25       472.4385 18086.37       656.4187 18652.50       680.4891 386.4928 7.020002 392.4875 7.166268 -5.994781      10.03174 
1 1 1 -19 3  3  o 219.8803 3.130475 5845.443       166.4382 5706.517       230.6865 5996.277       240.3703 217.1584 4.390796 222.6022 4.463229 -5.443832      6.260950 
1 1 1 -19 3  4  o 738.0007 9.127713 66056.95       1629.729 65816.92       2297.672 66299.98       2311.965 736.6541 12.89205 739.3473 12.92500 -2.693237      18.25543 
1 1 1 -19 3  5  o 170.5466 2.646325 3517.324       109.1613 3436.111       152.2379 3603.268       156.6097 168.5215 3.733922 172.5717 3.750997 -4.050201      5.292650 
1 1 1 -19 3  6  o 269.4714 5.161882 8787.155       336.5295 0.000000       0.000000 8787.155       336.5295 ?        ?        269.4714 5.161882 ?              ?        
1 1 1 -19 3  7  o 741.8490 9.175120 66725.27       1646.648 66303.23       2312.809 67159.13       2344.947 739.4767 12.92745 744.2213 13.02353 -4.744629      18.35024 
1 1 1 -19 3  8  o 63.65158 2.051116 490.2225       31.57378 472.4569       44.51080 508.2155       44.79470 62.49059 2.944073 64.81258 2.856703 -2.321987      4.102233 
1 1 1 -19 3  9  o 322.6671 4.246364 12597.68       331.3665 12828.54       476.6632 12381.75       460.9765 325.5246 6.052371 319.8096 5.957788 5.714996       8.492728 
1 1 1 -19 3  10 o 318.0257 4.860787 12168.87       320.7379 12088.96       368.0382 12421.18       653.9918 316.0002 4.813969 320.0512 8.445989 -4.050995      9.721575 
1 1 1 -19 3  11 o 116.7322 2.573563 1653.257       62.58456 1656.982       72.10666 1641.880       126.0105 117.0185 2.546939 116.4459 4.472807 0.5725937      5.147126 
1 1 1 -19 3  12 o 324.2160 4.271433 12744.06       335.0483 12723.25       472.8089 12765.06       474.8574 323.9510 6.032592 324.4810 6.048834 -0.5299377     8.542866 
1 1 1 -19 3  13 o 318.3965 5.950999 12295.45       458.4168 12295.45       458.4168 0.000000       0.000000 318.3965 5.950999 ?        ?        ?              ?        
1 1 1 -19 3  14 o 251.7264 4.936851 7681.370       300.6637 7681.370       300.6637 0.000000       0.000000 251.7264 4.936851 ?        ?        ?              ?        
1 1 1 -19 5  1  o 741.2012 9.165563 66625.16       1643.603 66698.83       2326.594 66551.76       2322.224 741.6095 12.96711 740.7928 12.95702 0.8166504      18.33113 
1 1 1 -19 5  2  o 278.0248 3.759456 9314.229       252.1293 9864.485       374.5283 8858.188       340.9603 285.4995 5.422219 270.5502 5.208990 14.94922       7.518912 
1 1 1 -19 5  3  o 188.0332 2.827724 4278.013       128.6391 4288.341       181.8977 4267.680       181.9485 188.2603 3.993614 187.8062 4.004391 0.4541779      5.655449 
1 1 1 -19 5  4  o 665.0573 8.249990 53529.53       1325.992 55092.20       1930.247 52133.12       1824.675 674.2184 11.83342 655.8962 11.49868 18.32214       16.49998 
1 1 1 -19 5  5  o 103.2114 2.196245 1289.059       54.82654 1322.647       77.47852 1255.371       77.59447 104.5585 3.062808 101.8643 3.148520 2.694191       4.392490 
1 1 1 -19 5  6  o 364.2282 4.713844 16046.96       415.1780 15735.02       576.2303 16383.71       598.7158 360.5517 6.605813 367.9047 6.726407 -7.352966      9.427689 
1 1 1 -19 5  7  o 309.7108 4.104912 11608.10       307.5581 11511.31       431.6195 11707.93       438.3645 308.4000 5.784747 311.0215 5.825626 -2.621521      8.209825 
1 1 1 -19 5  8  o 454.4864 5.757680 25014.00       633.0284 24787.75       887.3387 25248.50       903.3508 452.3962 8.107148 456.5766 8.177876 -4.180328      11.51536 
1 1 1 -19 5  9  o 351.3267 4.572271 14942.51       388.5277 14717.13       541.6845 15181.30       557.5825 348.6021 6.422649 354.0513 6.509396 -5.449219      9.144543 
1 1 1 -19 5  10 o 267.3176 3.643602 8653.004       235.6310 8597.446       330.9731 8710.105       335.5390 266.4486 5.134249 268.1865 5.171348 -1.737946      7.287205 
1 1 1 -19 5  11 o 195.9556 2.906587 4649.246       137.7981 4650.631       194.8613 4647.861       194.8906 195.9848 4.109612 195.9264 4.111457 0.5845642E-01  5.813174 
1 1 1 -19 5  13 o 303.8604 4.046559 11194.55       297.4220 11346.46       425.8851 11049.93       415.5421 305.8676 5.755149 301.8531 5.690063 4.014557       8.093118 
1 1 1 -19 5  14 o 275.8622 3.748108 9229.175       250.1521 9207.326       353.0412 9251.204       354.5002 275.5349 5.295982 276.1895 5.305265 -0.6545410     7.496217 
1 1 1 -19 5  15 o 195.2819 4.095347 4621.684       193.4884 4621.684       193.4884 0.000000       0.000000 195.2819 4.095347 ?        ?        ?              ?        
1 1 1 -19 5  16 o 198.0603 4.121558 4757.877       197.4973 4757.877       197.4973 0.000000       0.000000 198.0603 4.121558 ?        ?        ?              ?        
1 1 1 -19 7  1  o 822.8680 10.14942 82102.75       2020.042 81056.90       2818.402 83207.55       2896.750 817.4968 14.24999 828.2393 14.45616 -10.74243      20.29884 
1 1 1 -19 7  2  f 824.2001 12.35229 83449.92       2370.829 86208.98       3001.125 78869.72       3866.748 843.0037 14.71473 805.3964 19.84421 37.60724       24.70457 
1 1 1 -19 7  3  o 304.8463 4.058804 11207.35       298.6084 11785.73       441.6083 10720.12       405.3142 312.0648 5.849114 297.6279 5.628801 14.43695       8.117607 
1 1 1 -19 7  4  f 394.4744 5.071324 18820.72       483.6779 19263.80       699.5414 18414.89       669.4950 398.9158 7.248194 390.0330 7.094858 8.882843       10.14265 
1 1 1 -19 7  5  o 454.6203 5.764285 25021.09       633.9256 25284.35       905.5274 24768.07       887.7493 456.9630 8.190648 452.2777 8.113026 4.685272       11.52857 
1 1 1 -19 7  6  o 260.1265 5.072608 8188.752       319.2407 8188.752       319.2407 0.000000       0.000000 260.1265 5.072608 ?        ?        ?              ?        
1 1 1 -19 7  7  o 348.0823 4.539741 14664.13       382.2393 14481.98       534.3770 14854.98       546.9792 345.8708 6.386039 350.2938 6.454106 -4.422943      9.079481 
1 1 1 -19 7  8  o 559.9938 7.008814 38029.09       949.5197 38286.48       1351.811 37778.44       1334.013 561.8593 9.944569 558.1284 9.879244 3.730957       14.01763 
1 1 1 -19 7  9  o 172.5981 2.719451 3605.745       113.5559 3615.409       160.1763 3595.979       161.0115 172.8310 3.830665 172.3652 3.861045 0.4657898      5.438903 
1 1 1 -19 7  10 o 368.2424 4.771302 16437.22       425.0063 16250.47       594.3073 16632.70       608.0271 366.1068 6.709666 370.3779 6.785400 -4.271118      9.542603 
1 1 1 -19 7  11 o 158.3127 2.590714 3034.385       99.22624 3058.888       140.3112 3009.870       140.3431 158.9526 3.648566 157.6728 3.679017 1.279816       5.181428 
1 1 1 -19 7  12 f 106.6960 2.260572 1373.195       58.21690 1511.804       84.98821 1250.659       79.90862 111.7518 3.143415 101.6402 3.249568 10.11160       4.521145 
1 1 1 -19 7  13 o 259.4116 3.569633 8157.972       224.0343 8151.249       316.4658 8164.727       317.2002 259.3049 5.044449 259.5184 5.051997 -0.2134705     7.139267 
1 1 1 -19 7  14 o 128.8753 2.378803 2011.196       74.16599 2028.803       105.5903 1994.051       104.1967 129.4316 3.371952 128.3190 3.356299 1.112656       4.757605 
1 1 1 -19 7  15 o 260.7815 3.587043 8240.569       226.0781 7987.860       311.1436 8523.207       329.0530 256.5626 5.012625 265.0004 5.132359 -8.437836      7.174087 
1 1 1 -19 7  16 o 212.2032 4.340352 5466.364       222.8328 0.000000       0.000000 5466.364       222.8328 ?        ?        212.2032 4.340352 ?              ?        
1 1 1 -19 7  17 o 130.8830 3.318688 2083.087       105.0158 2129.685       151.9274 2040.452       145.3223 132.2744 4.747426 129.4917 4.638612 2.782639       6.637377 
1 1 1 -19 7  18 f 115.1619 3.109561 1616.981       86.61380 1564.545       121.2477 1671.624       123.7721 113.2502 4.425194 117.0737 4.369799 -3.823502      6.219122 
1 1 1 -19 9  1  o 406.6364 10.46071 20035.69       1029.129 0.000000       0.000000 20035.69       1029.129 ?        ?        406.6364 10.46071 ?              ?        
1 1 1 -19 9  2  f 282.6438 4.705393 9595.281       300.8247 9881.023       533.4238 9462.021       364.2790 285.6727 7.717939 279.6149 5.384824 6.057770       9.410787 
1 1 1 -19 9  3  o 114.8014 2.410427 1594.496       66.94246 1625.566       95.02229 1563.881       94.32346 115.9118 3.388407 113.6910 3.429187 2.220772       4.820853 
1 1 1 -19 9  4  o 525.8391 6.603179 33395.68       838.0509 34892.84       1237.750 32128.34       1138.791 536.6729 9.532810 515.0052 9.139660 21.66772       13.20636 
1 1 1 -19 9  5  o 423.1438 5.402628 21682.45       553.0884 21711.25       783.0787 21653.78       781.2946 423.4240 7.644124 422.8636 7.636815 0.5603638      10.80526 
1 1 1 -19 9  6  o 643.7108 8.006516 50264.48       1246.901 50399.14       1768.341 50131.32       1758.469 644.5656 11.33957 642.8560 11.30625 1.709595       16.01303 
1 1 1 -19 9  7  o 203.6931 3.025161 5021.639       149.0794 5047.938       211.6900 4995.763       209.9806 204.2220 4.284454 203.1641 4.271985 1.057861       6.050323 
1 1 1 -19 9  8  o 262.0755 4.407820 8291.788       262.6571 8235.279       320.1700 8408.091       459.3221 260.7833 5.074561 263.3676 7.208629 -2.584290      8.815639 
1 1 1 -19 9  9  o 252.7027 3.504806 7728.758       214.1715 7561.831       297.2418 7908.990       308.8608 249.8695 4.916933 255.5358 4.995842 -5.666275      7.009612 
1 1 1 -19 9  11 o 519.9130 6.562054 32886.86       825.1593 33398.16       1184.893 32405.39       1149.801 523.8112 9.349792 516.0148 9.209973 7.796387       13.12411 
1 1 1 -19 9  12 o 409.6642 5.266547 20393.17       521.9822 20384.38       737.4839 20402.00       738.9067 409.5771 7.442427 409.7514 7.453614 -0.1742859     10.53309 
1 1 1 -19 9  13 o 168.5108 3.867059 3439.875       157.6562 0.000000       0.000000 3439.875       157.6562 ?        ?        168.5108 3.867059 ?              ?        
1 1 1 -19 9  14 o 153.2956 2.598885 2844.570       96.33743 2924.219       139.0021 2770.948       133.6395 155.3573 3.698174 151.2339 3.652441 4.123383       5.197770 
1 1 1 -19 9  15 o 234.6582 3.327325 6676.151       188.7509 6882.338       273.6683 6489.079       260.6738 238.1018 4.750722 231.2146 4.659935 6.887192       6.654650 
1 1 1 -19 9  16 o 159.2357 3.669128 3076.719       141.3531 0.000000       0.000000 3076.719       141.3531 ?        ?        159.2357 3.669128 ?              ?        
1 1 1 -19 9  17 o 121.0329 3.254625 1778.639       95.30305 0.000000       0.000000 1778.639       95.30305 ?        ?        121.0329 3.254625 ?              ?        
1 1 1 -19 9  18 o 9.453842 2.930382 -13.04380      14.53237 -44.65035      23.15819 7.487536       18.66485 7.648484 3.742506 11.25920 4.510232 -3.610716      5.860763 
1 1 1 -19 9  19 o 127.8432 3.351886 2007.444       103.6422 2038.073       148.8010 1978.584       144.4407 128.7749 4.776085 126.9115 4.704206 1.863472       6.703771 
1 1 1 -19 9  20 o 26.54895 4.693176 91.98797       30.33937 73.99168       42.35230 110.9578       43.48273 23.89537 6.924685 29.20253 6.336589 -5.307156      9.386353 
1 1 1 -19 11 1  o 407.7166 5.249962 20006.71       515.4393 18904.16       689.7148 21401.40       775.7249 395.0876 7.215622 420.3456 7.627792 -25.25800      10.49992 
1 1 1 -19 11 2  o 457.3690 5.814607 25251.17       641.6247 26524.62       951.1754 24187.89       869.1509 467.8969 8.402492 446.8411 8.039698 21.05579       11.62921 
1 1 1 -19 11 3  o 175.1927 2.828957 3713.957       119.9025 3683.323       168.6770 3745.247       170.4727 174.4626 3.996237 175.9229 4.005255 -1.460297      5.657913 
1 1 1 -19 11 4  o 256.9698 3.585860 7956.883       222.2456 7552.729       300.2561 8446.632       330.5253 249.7892 4.968394 264.1505 5.171909 -14.36139      7.171721 
1 1 1 -19 11 5  o 612.6818 7.652079 45576.56       1134.246 45774.23       1610.550 45382.05       1597.659 613.9955 10.84194 611.3680 10.80137 2.627441       15.30416 
1 1 1 -19 11 6  o 358.8369 4.679636 15601.73       406.2466 15508.75       571.0926 15696.98       578.0089 357.7564 6.598067 359.9173 6.637882 -2.160828      9.359272 
1 1 1 -19 11 7  o 66.33395 4.967251 532.8971       79.71761 0.000000       0.000000 532.8971       79.71761 ?        ?        66.33395 4.967251 ?              ?        
1 1 1 -19 11 8  o 305.6217 5.016864 11269.48       347.4093 11502.68       612.5557 11158.90       421.8096 307.7958 8.225845 303.4476 5.745534 4.348267       10.03373 
1 1 1 -19 11 9  o 308.0388 5.841109 11503.29       435.3144 11503.29       435.3144 0.000000       0.000000 308.0388 5.841109 ?        ?        ?              ?        
1 1 1 -19 11 10 o 65.76408 2.515623 523.5027       39.96289 484.5690       55.87893 564.2642       57.17550 63.26033 3.651021 68.26784 3.461716 -5.007511      5.031246 
1 1 1 -19 11 11 o 169.8957 2.750112 3495.968       113.0392 3521.752       160.1540 3470.371       159.5707 170.5203 3.882035 169.2710 3.896441 1.249237       5.500223 
1 1 1 -19 11 12 o 106.7166 2.456669 1379.461       63.40108 1429.229       89.83244 1330.067       89.49386 108.6368 3.417859 104.7965 3.529750 3.840225       4.913339 
1 1 1 -19 11 13 o 192.8228 4.185807 4506.326       195.2720 0.000000       0.000000 4506.326       195.2720 ?        ?        192.8228 4.185807 ?              ?        
1 1 1 -19 11 14 o 245.2345 3.460712 7293.457       205.2024 7490.073       296.6187 7112.984       284.1808 248.3941 4.935771 242.0749 4.852245 6.319168       6.921424 
1 1 1 -19 11 15 o 101.8324 3.097455 1305.270       71.80341 1415.018       89.96439 1112.671       119.1791 108.0217 3.442369 95.64310 5.150437 12.37856       6.194910 
1 1 1 -19 11 16 o 98.11430 2.421315 1158.355       57.20826 1282.573       86.07362 1060.060       76.56754 102.7807 3.461435 93.44790 3.386669 9.332802       4.842629 
1 1 1 -19 11 17 o 68.48617 2.513007 566.2267       41.38388 609.3834       62.85279 533.1990       54.98454 70.75880 3.671486 66.21354 3.432349 4.545258       5.026015 
1 1 1 -19 11 18 o 46.57645 3.037480 260.2187       33.86780 317.5993       52.00129 217.9498       44.63155 50.95726 4.217991 42.19563 4.371920 8.761631       6.074959 
1 1 1 -19 11 19 o 50.91151 2.612398 317.0257       32.08320 318.6619       47.26727 315.6279       43.68872 51.01173 3.829907 50.81128 3.553914 0.2004509      5.224795 
1 1 1 -19 11 20 f 39.50359 4.906058 201.7951       45.92616 194.0512       64.50524 209.7561       65.40285 38.38984 7.209819 40.61734 6.655534 -2.227497      9.812117 
1 1 1 -19 13 1  o 371.1641 4.832824 16696.46       433.9517 16578.84       609.5386 16817.35       617.9486 369.8411 6.812143 372.4871 6.857074 -2.645996      9.665648 
1 1 1 -19 13 2  o 94.86127 2.624789 1088.378       60.19631 1069.187       83.27605 1109.378       87.11449 93.98692 3.662270 95.73563 3.761097 -1.748703      5.249578 
1 1 1 -19 13 3  o 108.1664 2.570273 1413.056       67.18909 1341.189       92.54646 1493.155       97.70248 105.2646 3.633917 111.0682 3.635912 -5.803604      5.140546 
1 1 1 -19 13 4  o 203.5823 3.089052 5016.134       152.1175 5123.490       217.7768 4913.848       212.5709 205.7083 4.375801 201.4563 4.361346 4.251938       6.178104 
1 1 1 -19 13 5  o 294.4010 3.990739 10497.02       284.1594 10325.40       395.9489 10679.30       408.0483 291.9238 5.606183 296.8781 5.681082 -4.954285      7.981478 
1 1 1 -19 13 6  o 258.4669 3.606059 8079.775       225.2572 7815.120       309.9540 8376.017       327.9290 253.9927 5.043983 262.9411 5.154887 -8.948334      7.212117 
1 1 1 -19 13 7  f 113.2421 2.472028 1551.482       67.69977 1585.710       97.45515 1519.559       94.11600 114.4478 3.519613 112.0364 3.472178 2.411453       4.944057 
1 1 1 -19 13 9  o 175.8827 2.822917 3746.725       120.1222 3742.402       169.9110 3751.045       169.8459 175.7811 3.995277 175.9843 3.989135 -0.2031860     5.645833 
1 1 1 -19 13 10 o 65.85343 2.781775 522.0867       44.15985 563.0830       65.97641 488.8143       59.43716 68.17965 3.999738 63.52721 3.867194 4.652435       5.563551 
1 1 1 -19 13 11 o 139.0946 3.730967 2343.548       125.5550 0.000000       0.000000 2343.548       125.5550 ?        ?        139.0946 3.730967 ?              ?        
1 1 1 -19 13 12 o 164.0724 2.784418 3261.892       110.5238 3289.728       157.1357 3234.636       155.4859 164.7648 3.941922 163.3800 3.933598 1.384872       5.568837 
1 1 1 -19 13 13 o 78.86444 2.752627 753.7175       52.50919 770.7341       75.20864 737.5339       73.34483 79.73227 3.898803 77.99662 3.886793 1.735649       5.505255 
1 1 1 -19 13 14 o 163.5116 2.770263 3242.074       109.5505 3337.586       157.4771 3152.505       152.4984 165.8426 3.924813 161.1805 3.910663 4.662048       5.540527 
1 1 1 -19 13 15 o 159.8470 2.748224 3091.459       105.9814 3273.053       157.2529 2940.332       143.4562 164.1165 3.960446 155.5775 3.811275 8.539017       5.496449 
1 1 1 -19 13 16 o 155.2094 2.694653 2919.324       100.8973 3099.323       149.7675 2769.738       136.5301 159.5533 3.879799 150.8654 3.740559 8.687973       5.389307 
1 1 1 -19 13 17 o 105.0416 2.534182 1323.208       63.82453 1512.620       98.64812 1186.835       83.70464 111.3865 3.660616 98.69678 3.505454 12.68967       5.068364 
1 1 1 -19 13 18 o 118.6632 2.509653 1702.161       71.55573 1870.147       109.2759 1576.060       94.67708 123.7023 3.651274 113.6241 3.444072 10.07819       5.019306 
1 1 1 -19 13 19 o 96.08025 2.483601 1118.234       57.30973 1237.356       87.77193 1029.706       75.66535 100.4548 3.611459 91.70571 3.410346 8.749077       4.967202 
1 1 1 -19 13 20 o 47.31760 3.343182 274.0658       37.90413 325.2712       58.51244 237.0409       49.75511 51.05004 4.737506 43.58517 4.718420 7.464870       6.686363 
1 1 1 -19 15 1  o 156.7042 2.766211 2973.225       104.8712 2960.651       147.6495 2986.026       148.9800 156.3702 3.902793 157.0382 3.921211 -0.6679840     5.532422 
1 1 1 -19 15 2  o 98.03040 2.673813 1163.904       63.37314 1112.399       89.45490 1215.798       89.79235 95.85071 3.857505 100.2101 3.703614 -4.359375      5.347626 
1 1 1 -19 15 3  o 315.6504 4.226035 12078.61       322.7108 11980.96       453.2383 12179.02       459.5921 314.3586 5.959349 316.9422 5.993634 -2.583557      8.452070 
1 1 1 -19 15 4  o 257.2746 5.106993 8020.588       317.8810 0.000000       0.000000 8020.588       317.8810 ?        ?        257.2746 5.106993 ?              ?        
1 1 1 -19 15 5  o 249.2640 3.532270 7529.038       213.0169 7522.481       301.6159 7535.563       300.8881 249.1551 5.003596 249.3730 4.987160 -0.2179413     7.064541 
1 1 1 -19 15 6  o 132.3430 3.730709 2120.884       119.4524 2120.884       119.4524 0.000000       0.000000 132.3430 3.730709 ?        ?        ?              ?        
1 1 1 -19 15 7  o 314.3560 4.218536 11977.63       320.6410 12253.13       463.3817 11724.54       444.1399 317.8125 6.026505 310.8994 5.904696 6.913086       8.437073 
1 1 1 -19 15 8  o 392.5726 5.086065 18722.88       483.0364 18843.38       687.5214 18605.43       678.7955 393.8143 7.215932 391.3310 7.169559 2.483276       10.17213 
1 1 1 -19 15 9  o 203.7145 3.114635 5029.108       153.5032 5013.837       216.0853 5044.666       218.1013 203.4035 4.391011 204.0255 4.418465 -0.6220398     6.229270 
1 1 1 -19 15 10 o 208.2337 3.159883 5255.439       159.1800 5312.260       226.9017 5200.375       223.3689 209.3407 4.480039 207.1266 4.457430 2.214111       6.319765 
1 1 1 -19 15 11 o 37.41101 5.124705 176.2722       44.69596 166.9398       63.35313 185.5206       63.06712 36.37056 7.450276 38.45147 7.038736 -2.080906      10.24941 
1 1 1 -19 15 12 o 191.3303 4.281322 4441.460       198.1819 0.000000       0.000000 4441.460       198.1819 ?        ?        191.3303 4.281322 ?              ?        
1 1 1 -19 15 13 o 72.26247 3.058788 637.9070       53.16373 581.5510       77.03053 689.1677       73.46582 69.17786 4.602496 75.34707 4.030108 -6.169212      6.117577 
1 1 1 -19 15 14 o 147.6875 2.715824 2628.369       96.60854 2895.020       145.1653 2416.379       129.4341 154.3476 3.887413 141.0275 3.793524 13.32010       5.431648 
1 1 1 -19 15 15 f 54.30135 3.601142 360.6943       46.98827 360.5287       70.66031 360.8256       62.91496 54.25499 5.383113 54.34770 4.784873 -0.9270859E-01 7.202285 
1 1 1 -19 15 16 o 108.5783 2.627180 1424.221       68.64787 1569.479       103.8217 1311.380       91.50590 113.4362 3.782983 103.7204 3.646552 9.715729       5.254360 
1 1 1 -19 15 17 o 56.32410 3.437801 380.1789       45.92390 443.0794       74.39905 341.4605       58.37124 59.93162 5.131083 52.71658 4.576668 7.215042       6.875602 
1 1 1 -19 15 18 f 17.77068 5.372393 5.450665       39.93721 -5.534461      66.64066 11.60706       49.88844 18.29059 7.982119 17.25076 7.192788 1.039825       10.74479 
1 1 1 -19 15 19 o 17.31926 5.482351 -18.58364      47.27741 -15.98866      66.48935 -21.23736      67.23763 17.42385 7.770649 17.21467 7.735741 0.2091770      10.96470 
1 1 1 -19 15 20 o 30.94821 7.070965 143.1292       61.52208 101.1898       103.9573 165.7347       76.32220 28.00455 10.81569 33.89188 9.111259 -5.887333      14.14193 
1 1 1 -19 17 1  o 378.3276 4.949766 17298.40       451.4237 16456.12       607.9617 18333.42       673.9437 368.1487 6.825754 388.5065 7.170063 -20.35782      9.899531 
1 1 1 -19 17 2  o 48.91011 4.159710 290.2293       49.09949 289.4517       71.97566 290.9061       67.14960 48.84398 6.090772 48.97623 5.667032 -0.1322556     8.319420 
1 1 1 -19 17 3  o 68.64900 3.208104 572.7816       53.03783 509.6994       75.01463 635.8373       74.99899 64.85165 4.781043 72.44635 4.278944 -7.594696      6.416208 
1 1 1 -19 17 5  o 314.0941 4.233213 11965.55       321.5902 12178.39       461.7181 11765.01       448.1786 316.7996 6.024068 311.3885 5.949032 5.411133       8.466427 
1 1 1 -19 17 6  o 154.6806 2.823081 2897.717       105.6265 2863.191       147.5922 2933.967       151.2312 153.7377 3.968084 155.6235 4.016649 -1.885834      5.646163 
1 1 1 -19 17 7  o 307.0771 4.157146 11440.00       308.7575 11647.89       443.2545 11244.05       430.3304 309.7798 5.914225 304.3745 5.843749 5.405334       8.314292 
1 1 1 -19 17 8  o 183.8360 2.992131 4093.829       133.0305 4170.413       191.3346 4022.164       185.0880 185.4968 4.263387 182.1752 4.199395 3.321625       5.984261 
1 1 1 -19 17 9  o 201.8867 3.149289 4942.366       153.8233 4949.974       217.6039 4934.768       217.4742 202.0422 4.451664 201.7311 4.455869 0.3110199      6.298577 
1 1 1 -19 17 10 o 134.0959 2.744785 2175.759       88.95891 2289.424       129.2608 2073.480       122.6159 137.4160 3.888008 130.7758 3.875405 6.640213       5.489569 
1 1 1 -19 17 11 o 135.5516 2.727230 2228.758       89.41695 2299.164       127.2304 2160.044       125.6929 137.6703 3.819869 133.4329 3.893549 4.237411       5.454459 
1 1 1 -19 17 12 o 99.97006 2.790363 1206.761       67.12383 1277.098       101.3542 1151.809       89.58617 102.5363 4.085658 97.40385 3.801566 5.132439       5.580726 
1 1 1 -19 17 13 o 137.8800 2.772079 2299.244       92.09274 2446.876       138.0036 2180.721       123.6525 141.8294 4.021814 133.9307 3.816109 7.898727       5.544157 
1 1 1 -19 17 14 o 104.1998 2.841501 1319.517       71.27222 1359.923       106.9502 1287.237       95.59181 105.5974 4.186256 102.8022 3.843405 2.795288       5.683001 
1 1 1 -19 17 15 o 19.89726 5.519361 -8.478138      44.33705 82.66732       68.58237 -73.92248      58.11403 26.33237 8.979447 13.46214 6.420506 12.87022       11.03872 
1 1 1 -19 17 16 o 44.25167 4.856923 251.7314       48.85991 235.9182       78.63716 261.6749       62.35740 42.54602 7.931319 45.95733 5.608296 -3.411312      9.713846 
1 1 1 -19 17 17 o 95.97450 2.906036 1111.052       66.74784 1291.919       104.1399 984.9429       86.95795 102.4378 4.201985 89.51118 4.015408 12.92663       5.812071 
1 1 1 -19 17 18 f 40.04519 5.492177 220.7013       49.79015 183.1393       81.28728 243.2560       62.98928 36.25529 9.240107 43.83508 5.939399 -7.579788      10.98435 
1 1 1 -19 17 19 o 49.65284 4.372911 316.5714       50.60198 325.9565       83.83623 311.1929       63.46656 49.80793 6.957142 49.49774 5.299773 0.3101921      8.745823 
1 1 1 -19 17 20 o 27.98686 7.212188 53.22293       72.22899 255.2053       121.0361 -58.48899      90.01360 38.48667 11.84186 17.48706 8.236078 20.99961       14.42438 
1 1 1 -19 19 1  o 49.20728 4.501221 296.4969       53.14391 266.8080       77.59975 322.7207       72.93100 46.85283 6.845768 51.56172 5.846318 -4.708897      9.002442 
1 1 1 -19 19 2  o 145.1926 4.036013 2554.330       141.7749 2554.330       141.7749 0.000000       0.000000 145.1926 4.036013 ?        ?        ?              ?        
1 1 1 -19 19 3  o 251.5778 3.615368 7613.063       218.8871 7086.086       291.7776 8291.367       331.0311 241.7194 4.989283 261.4362 5.233603 -19.71678      7.230735 
1 1 1 -19 19 4  o 49.56704 4.405389 298.2581       52.73774 323.1497       75.62849 274.6976       73.57862 51.58440 6.059890 47.54968 6.395901 4.034721       8.810778 
1 1 1 -19 19 5  o 297.0461 4.076563 10705.11       292.8202 10983.76       422.4081 10447.32       406.2830 300.7567 5.805167 293.3357 5.724814 7.420990       8.153126 
1 1 1 -19 19 6  o 319.2187 4.304902 12368.51       332.2131 12736.05       481.5307 12034.66       458.9248 323.7246 6.148171 314.7127 6.027330 9.011963       8.609803 
1 1 1 -19 19 7  o 132.2646 3.347776 2134.980       103.9352 2174.804       132.5416 2071.386       167.4899 133.9276 4.090532 130.6017 5.300751 3.325851       6.695552 
1 1 1 -19 19 8  o 68.24144 3.569314 566.3605       58.83239 603.3003       83.15395 529.3361       83.24926 70.48157 4.876464 66.00131 5.213454 4.480255       7.138628 
1 1 1 -19 19 9  o 168.1075 2.936788 3430.098       119.4372 3464.995       169.9557 3396.047       167.8828 168.9516 4.157873 167.2635 4.148612 1.688095       5.873576 
1 1 1 -19 19 10 o 60.28464 3.573156 440.9815       51.92242 457.8037       77.37370 427.2001       70.03268 61.31508 5.215834 59.25420 4.885166 2.060879       7.146312 
1 1 1 -19 19 11 f 117.4201 2.820941 1660.089       79.74601 1883.187       119.5952 1481.482       107.0075 124.4572 3.971838 110.3830 4.006911 14.07417       5.641882 
1 1 1 -19 19 12 o 183.8804 3.072139 4102.124       136.2480 4378.954       202.6799 3873.885       184.0343 189.4868 4.421091 178.2740 4.266860 11.21280       6.144278 
1 1 1 -19 19 13 o 26.56441 6.417829 80.75259       48.74269 99.57333       77.65314 68.51578       62.61447 28.60691 9.555799 24.52192 8.569762 4.084997       12.83566 
1 1 1 -19 19 14 o 84.69974 3.202873 871.3579       65.30093 966.2307       98.55754 797.1187       87.18379 88.75547 4.589786 80.64401 4.468495 8.111458       6.405746 
1 1 1 -19 19 15 f 80.76361 3.338417 785.1785       64.47569 953.0635       100.3232 667.0400       84.15712 87.95132 4.714727 73.57590 4.727734 14.37541       6.676834 
1 1 1 -19 19 16 o 43.09108 5.530149 241.1365       54.47732 249.3447       89.45750 236.2982       68.68130 42.96959 8.897925 43.21257 6.569406 -0.2429848     11.06030 
1 1 1 -19 19 17 o 30.45528 6.572182 123.9825       52.34448 155.9230       82.41541 102.3863       67.76814 33.29433 9.663012 27.61624 8.910697 5.678095       13.14436 
1 1 1 -19 19 18 o 28.18312 6.820318 103.0239       55.31254 152.1658       89.96004 73.15339       70.13672 32.09984 10.25703 24.26641 8.992233 7.833435       13.64064 
1 1 1 -19 19 19 o 38.38918 6.142977 238.1535       59.20887 122.6886       93.80656 314.6148       76.33591 28.33444 10.41750 48.44392 6.513093 -20.10948      12.28595 
1 1 1 -19 21 1  o 211.1734 3.284296 5408.626       167.7010 5552.088       242.2231 5276.552       232.4111 213.8547 4.681602 208.4922 4.607494 5.362427       6.568592 
1 1 1 -19 21 2  o 129.7005 2.901567 2038.449       91.00174 1959.724       126.4648 2122.987       131.0494 127.1054 4.112476 132.2956 4.094373 -5.190216      5.803133 
1 1 1 -19 21 3  o 78.34950 3.366960 745.7076       63.73959 751.4873       88.11264 739.3632       92.31704 78.67625 4.629054 78.02274 4.890557 0.6535110      6.733921 
1 1 1 -19 21 4  o 150.4919 2.904966 2747.923       105.7507 2816.065       150.0514 2680.676       149.0617 152.3496 4.070953 148.6342 4.145196 3.715485       5.809932 
1 1 1 -19 21 5  o 208.9640 3.245723 5296.406       163.9607 5481.550       237.7504 5128.495       226.4156 212.4351 4.625863 205.4929 4.554148 6.942200       6.491446 
1 1 1 -19 21 6  o 89.42959 4.227560 971.1274       91.46887 0.000000       0.000000 971.1274       91.46887 ?        ?        89.42959 4.227560 ?              ?        
1 1 1 -19 21 7  o 75.96053 3.320267 701.0021       60.67153 707.9830       90.97738 695.4107       81.42081 76.28035 4.929677 75.64071 4.449155 0.6396408      6.640534 
1 1 1 -19 21 8  o 112.6646 2.850413 1542.334       77.60233 1549.510       112.6589 1535.856       107.0485 112.9016 4.124423 112.4276 3.935549 0.4740295      5.700825 
1 1 1 -19 21 9  o 22.77085 6.290342 37.84025       50.23270 58.42804       75.41109 21.41872       67.34994 24.77040 9.295408 20.77131 8.477558 3.999100       12.58068 
1 1 1 -19 21 10 o 136.8567 2.894706 2253.820       95.12417 2515.922       145.8839 2059.954       125.4651 143.6671 4.197085 130.0462 3.987701 13.62083       5.789412 
1 1 1 -19 21 11 o 135.0114 2.896284 2212.846       94.26984 2361.250       140.7246 2092.035       126.9693 139.0707 4.182463 130.9520 4.007599 8.118698       5.792568 
1 1 1 -19 21 12 o 43.89782 5.348512 242.7681       55.46461 261.6986       84.13061 228.2149       73.76513 45.67920 7.612604 42.11645 7.514957 3.562752       10.69702 
1 1 1 -19 21 13 o 56.59808 4.368124 395.9798       59.50189 457.1675       88.00554 344.4555       80.75764 60.64277 5.998306 52.55338 6.351563 8.089394       8.736248 
1 1 1 -19 21 14 o 22.45592 6.141985 34.43708       53.85291 -67.36655      90.87749 89.53456       66.85603 18.28876 8.502577 26.62308 8.865783 -8.334320      12.28397 
1 1 1 -19 21 15 o 124.9836 3.014277 1912.325       90.71348 2145.444       136.3069 1726.991       121.5363 131.7478 4.276339 118.2193 4.249280 13.52853       6.028554 
1 1 1 -19 21 16 f 79.52734 3.725834 792.5753       71.46528 857.8905       106.2776 738.6639       96.55491 82.46579 5.326789 76.58889 5.210823 5.876900       7.451668 
1 1 1 -19 21 17 o 18.15107 5.943957 -47.20887      62.51651 -79.60997      92.14695 -19.57617      85.09671 17.27628 8.195237 19.02587 8.611655 -1.749590      11.88791 
1 1 1 -19 21 18 o 28.82596 7.097045 111.9988       69.79587 224.4588       100.9221 8.900685       96.63022 36.79547 10.69705 20.85645 9.329803 15.93902       14.19409 
1 1 1 -19 23 1  o 66.01757 3.637600 531.4136       58.08429 531.1975       83.10619 531.6199       81.21366 65.99831 5.204731 66.03683 5.083240 -0.3851318E-01 7.275201 
1 1 1 -19 23 2  o 165.2036 2.986835 3317.458       119.3474 3396.307       171.2379 3242.974       166.4301 167.1091 4.235430 163.2980 4.212585 3.811111       5.973671 
1 1 1 -19 23 3  o 78.32770 3.294599 744.4270       62.31477 807.1307       91.18700 689.4879       85.35464 81.41430 4.629456 75.24110 4.688887 6.173203       6.589197 
1 1 1 -19 23 4  o 45.54914 5.166888 259.0302       54.91907 315.3075       79.75729 208.2883       75.73342 50.70364 6.501730 40.39465 8.032087 10.30899       10.33378 
1 1 1 -19 23 5  o 114.4191 4.079243 1593.106       112.9225 0.000000       0.000000 1593.106       112.9225 ?        ?        114.4191 4.079243 ?              ?        
1 1 1 -19 23 6  f 164.9565 2.988964 3306.340       119.0935 3465.943       174.6138 3167.521       162.8484 168.6544 4.279357 161.2587 4.174054 7.395737       5.977928 
1 1 1 -19 23 7  o 76.51442 3.454574 710.3337       63.12862 749.2078       98.49554 683.2311       82.24152 78.22261 5.204535 74.80624 4.544133 3.416374       6.909148 
1 1 1 -19 23 8  o 37.75883 5.971811 189.9854       55.87173 102.6372       81.78269 266.4330       76.50972 29.13627 9.806228 46.38140 6.818212 -17.24513      11.94362 
1 1 1 -19 23 9  o 24.49855 6.437066 48.49798       52.97165 104.6542       80.79173 6.154260       70.15565 29.18462 9.747008 19.81247 8.410654 9.372150       12.87413 
1 1 1 -19 23 10 o 120.6279 2.951755 1765.308       85.74258 2010.490       127.9017 1565.184       115.5530 128.1853 4.124166 113.0704 4.224059 15.11481       5.903509 
1 1 1 -19 23 11 o 49.14169 4.959493 303.5974       58.46127 302.4560       88.44113 304.4832       77.91000 48.93618 7.470024 49.34719 6.525721 -0.4110146     9.918986 
1 1 1 -19 23 12 o 42.71584 5.824825 241.5168       57.74385 239.8434       86.11959 242.8837       77.83211 42.38704 8.689634 43.04463 7.759162 -0.6575890     11.64965 
1 1 1 -19 23 13 f 79.75223 3.673980 777.2391       69.71913 1006.052       106.3830 604.9806       92.30447 89.97385 4.887127 69.53059 5.487120 20.44326       7.347959 
1 1 1 -19 23 14 o 21.57378 6.420563 22.98647       56.51091 35.32755       86.40227 13.76075       74.70480 22.87321 9.495444 20.27435 8.644711 2.598858       12.84113 
1 1 1 -19 23 15 o 64.44999 4.345532 535.9178       67.33848 535.7482       90.47895 536.1284       100.8201 64.66908 5.782938 64.23090 6.487851 0.4381714      8.691064 
1 1 1 -19 23 16 o 18.83571 6.142914 -34.20594      65.14896 -20.84862      87.87221 -50.51063      97.08408 19.01305 8.662448 18.65836 8.712265 0.3546906      12.28583 
1 1 1 -19 23 17 o 19.26095 6.274345 -29.40792      68.04378 -78.67100      91.32103 32.07781       102.0228 16.54560 7.933445 21.97631 9.722659 -5.430714      12.54869 
1 1 1 -19 25 1  o 130.1820 4.062556 2068.719       127.9536 0.000000       0.000000 2068.719       127.9536 ?        ?        130.1820 4.062556 ?              ?        
1 1 1 -19 25 2  o 152.7351 2.975770 2829.070       109.5278 3087.469       164.0132 2621.083       147.1473 158.9649 4.264569 146.5053 4.151421 12.45964       5.951541 
1 1 1 -19 25 3  o 61.39899 4.058342 462.5740       59.88595 480.4756       90.72728 448.7528       79.71954 62.39347 6.010304 60.40451 5.454979 1.988964       8.116684 
1 1 1 -19 25 4  o 35.25424 6.226993 152.0885       53.55537 233.4143       85.63065 99.84065       68.63558 42.31577 8.656032 28.19272 8.954041 14.12305       12.45399 
1 1 1 -19 25 5  o 136.4424 2.927624 2233.974       95.73375 2617.554       147.9776 1957.867       125.5468 146.3165 4.180231 126.5683 4.099950 19.74821       5.855247 
1 1 1 -19 25 6  o 194.7269 3.208155 4636.155       150.8769 4864.042       221.5341 4439.009       206.0506 199.1423 4.598060 190.3115 4.475139 8.830811       6.416309 
1 1 1 -19 25 7  o 69.69111 4.068959 600.7518       68.34570 609.8800       101.4674 593.1710       92.46895 70.10984 5.981984 69.27238 5.517388 0.8374634      8.137918 
1 1 1 -19 25 8  o 126.7867 4.712303 2014.086       144.2376 2182.034       205.5870 1851.279       202.4156 132.1433 6.430550 121.4301 6.889937 10.71323       9.424606 
1 1 1 -19 25 9  o 61.81978 4.270671 475.0141       63.66613 509.3155       94.83807 446.8741       85.89915 63.80618 6.143525 59.83337 5.933939 3.972809       8.541342 
1 1 1 -19 25 10 o 49.43170 5.378749 310.2038       63.94960 344.2746       97.07243 284.0794       85.00165 51.75032 7.753192 47.11309 7.457332 4.637234       10.75750 
1 1 1 -19 25 11 o 55.38149 5.011958 392.4194       66.62648 403.6258       101.2261 383.8539       88.49924 55.89320 7.485682 54.86979 6.666593 1.023411       10.02392 
1 1 1 -19 25 12 o 28.84298 7.215156 109.6799       62.68542 119.5910       93.23135 101.5027       84.68478 29.76540 10.45404 27.92056 9.947211 1.844841       14.43031 
1 1 1 -19 25 13 o 54.21360 5.280255 389.8777       69.17029 397.7244       100.7121 382.8714       95.16647 54.62996 7.619882 53.79723 7.311757 0.8327332      10.56051 
1 1 1 -19 25 14 o 21.21953 6.566512 14.37553       64.17748 2.045695       88.61617 27.97554       93.06878 20.31342 9.020471 22.12563 9.545022 -1.812210      13.13302 
1 1 1 -19 25 15 o 23.83358 6.964776 52.69180       70.08231 125.0100       98.18226 -22.43002      100.0673 28.05598 10.59013 19.61117 9.048845 8.444807       13.92955 
1 1 1 -19 27 1  o 54.12891 4.660408 367.0002       60.90607 401.3772       88.47471 336.0347       83.97010 56.56965 6.464476 51.68816 6.714773 4.881496       9.320817 
1 1 1 -19 27 2  o 60.12037 4.429196 440.9658       63.29350 576.4852       97.69174 342.9272       83.09133 67.98360 5.939520 52.25715 6.572153 15.72645       8.858392 
1 1 1 -19 27 3  o 60.86751 4.555831 477.6069       65.05225 371.9001       96.10698 566.9878       88.37427 54.15373 7.335407 67.58129 5.405016 -13.42756      9.111663 
1 1 1 -19 27 4  o 42.95966 5.980233 237.0529       60.62292 328.9398       92.02291 166.5978       80.57970 50.83779 7.481815 35.08154 9.331408 15.75624       11.96047 
1 1 1 -19 27 5  o 61.08211 4.404354 465.5602       64.84721 523.8671       95.79868 416.2482       88.09989 64.62599 6.127030 57.53822 6.328732 7.087772       8.808708 
1 1 1 -19 27 6  o 77.10217 3.975555 752.8331       73.07275 657.6539       108.0523 833.0490       99.19572 72.29371 6.177765 81.91062 5.005534 -9.616913      7.951110 
1 1 1 -19 27 7  o 53.27618 5.039491 361.9851       64.83147 390.2766       95.12220 337.4424       88.59635 55.21530 7.120658 51.33706 7.133169 3.878239       10.07898 
1 1 1 -19 27 8  o 52.55952 5.301567 358.4297       67.27236 333.8105       95.24539 382.9377       95.02995 50.62360 7.776579 54.49545 7.207721 -3.871841      10.60313 
1 1 1 -19 27 9  f 25.11477 7.000867 64.60016       62.75720 55.02511       89.42807 73.89107       88.09119 24.45403 9.845332 25.77551 9.955802 -1.321480      14.00173 
1 1 1 -19 27 10 o 22.01523 6.614205 19.05112       63.12459 57.07639       87.72221 -21.78461      90.90620 24.22525 9.751767 19.80521 8.938337 4.420042       13.22841 
1 1 1 -19 27 11 o 37.48585 7.160543 211.1928       66.54051 199.7469       93.73805 222.8184       94.47123 36.37867 10.22515 38.59302 10.02695 -2.214348      14.32109 
1 1 1 -19 27 12 o 36.51745 7.222260 208.8173       66.51581 227.9628       94.59898 190.0960       93.54498 38.32497 10.07092 34.70993 10.35475 3.615036       14.44452 
1 1 1 -19 27 13 o 30.22922 7.619509 149.8113       73.56402 212.4682       105.2930 90.06120       102.8215 34.93757 11.08969 25.52086 10.45210 9.416704       15.23902 
1 1 1 -19 29 7  o 30.42615 12.95908 106.3296       167.5449 0.000000       0.000000 106.3296       167.5449 ?        ?        30.42615 12.95908 ?              ?        
1 1 1 -19 29 8  o 40.06603 9.645148 281.1870       111.3261 230.2201       146.2273 351.4575       171.7003 36.51268 13.06443 43.61938 14.19282 -7.106705      19.29030 
1 1 1 -19 29 9  o 34.50914 9.548227 220.9720       118.4556 257.7038       154.0039 167.7573       185.3646 37.10043 13.39206 31.91784 13.61349 5.182585       19.09645 
1 1 1 -19 29 10 o 31.51620 8.691690 150.2752       114.6445 323.1410       154.6916 -60.36883      170.7603 40.06630 13.48666 22.96610 10.96777 17.10020       17.38338 
1 1 1 -18 0  1  o 136.7119 2.336707 2265.165       109.1577 2265.165       109.1577 2265.165       109.1577 136.7119 3.304602 136.7119 3.304602 0.000000       0.000000 
1 1 1 -18 0  2  o 316.3040 4.166131 12120.09       450.5209 12120.09       450.5209 12120.09       450.5209 316.3040 5.891799 316.3040 5.891799 0.000000       0.000000 
1 1 1 -18 0  4  o 542.4249 6.788580 35657.11       1259.010 35657.11       1259.010 35657.11       1259.010 542.4249 9.600502 542.4249 9.600502 0.000000       0.000000 
1 1 1 -18 0  5  o 287.8826 3.850220 10038.62       378.9375 10038.62       378.9375 10038.62       378.9375 287.8826 5.445033 287.8826 5.445033 0.000000       0.000000 
1 1 1 -18 0  6  o 87.81201 1.994158 935.7159       59.77437 935.7159       59.77437 935.7159       59.77437 87.81201 2.820165 87.81201 2.820165 0.000000       0.000000 
1 1 1 -18 0  7  o 510.6489 6.413412 31590.88       1119.746 31590.88       1119.746 31590.88       1119.746 510.6489 9.069934 510.6489 9.069934 0.000000       0.000000 
1 1 1 -18 0  8  o 557.3929 6.968975 37645.60       1328.132 37645.60       1328.132 37645.60       1328.132 557.3929 9.855618 557.3929 9.855618 0.000000       0.000000 
1 1 1 -18 0  9  o 308.7252 4.087145 11545.30       431.3859 11545.30       431.3859 11545.30       431.3859 308.7252 5.780096 308.7252 5.780096 0.000000       0.000000 
1 1 1 -18 0  10 o 397.6914 5.106191 19165.35       694.2846 19165.35       694.2846 19165.35       694.2846 397.6914 7.221245 397.6914 7.221245 0.000000       0.000000 
1 1 1 -18 0  11 o 506.3892 6.404247 31105.47       1108.808 31105.47       1108.808 31105.47       1108.808 506.3892 9.056973 506.3892 9.056973 0.000000       0.000000 
1 1 1 -18 2  1  o 354.1330 5.270347 15387.66       398.6004 15618.94       466.7968 14765.02       765.9094 359.2136 5.371219 349.0524 9.069522 10.16113       10.54069 
1 1 1 -18 2  2  o 249.0560 3.969147 7433.769       204.6862 7365.054       234.4818 7653.778       419.5718 246.7055 3.928512 251.4066 6.898067 -4.701111      7.938295 
1 1 1 -18 2  3  o 445.5307 6.505429 24185.15       612.4513 24325.43       711.4061 23783.46       1203.788 448.2309 6.560145 442.8304 11.23596 5.400452       13.01086 
1 1 1 -18 2  4  o 331.8112 5.000103 13374.09       349.2305 13419.24       404.5706 13242.12       691.7645 332.9879 5.021848 330.6346 8.647841 2.353363       10.00021 
1 1 1 -18 2  5  f 367.4398 5.527510 16029.74       414.5887 15764.02       471.0992 16942.30       873.0208 360.9102 5.395242 373.9695 9.649084 -13.05930      11.05502 
1 1 1 -18 2  6  o 608.0181 8.668627 45381.28       1127.363 46054.20       1321.388 43581.20       2161.190 616.6972 8.856379 599.3389 14.90453 17.35828       17.33725 
1 1 1 -18 2  7  o 245.6687 3.894233 7445.832       205.2918 7619.521       241.5965 6994.646       389.3872 250.9469 3.979297 240.3905 6.695179 10.55649       7.788467 
1 1 1 -18 2  8  o 948.3082 13.45812 109961.6       2695.004 110576.9       3129.928 108197.5       5299.583 954.7491 13.55011 941.8672 23.25679 12.88190       26.91623 
1 1 1 -18 2  9  o 712.4425 10.15813 62124.73       1534.922 62662.29       1787.994 60618.68       2992.747 719.0160 10.27839 705.8690 17.52441 13.14703       20.31626 
1 1 1 -18 2  10 o 435.4656 6.427212 22843.37       580.5827 22700.11       666.2194 23295.66       1183.730 432.9240 6.360677 438.0073 11.17041 -5.083374      12.85442 
1 1 1 -18 2  11 o 114.5858 2.169545 1587.868       60.12309 1631.938       86.45958 1546.603       83.66314 116.1240 3.077434 113.0475 3.058940 3.076553       4.339091 
1 1 1 -18 2  12 o 41.19267 1.973348 205.6078       19.53475 203.1400       29.28235 207.5869       26.22280 40.96854 2.954291 41.41681 2.616978 -0.4482689     3.946696 
1 1 1 -18 2  13 o 204.9437 4.265604 5087.560       211.5035 5087.560       211.5035 0.000000       0.000000 204.9437 4.265604 ?        ?        ?              ?        
1 1 1 -18 4  1  o 255.7910 3.506796 7901.285       216.7001 7617.739       296.8115 8224.952       317.1157 250.8889 4.889866 260.6931 5.027891 -9.804245      7.013592 
1 1 1 -18 4  2  o 183.0739 2.767331 4043.463       122.3589 3855.678       167.1250 4260.411       179.6345 178.5068 3.869763 187.6409 3.956945 -9.134064      5.534662 
1 1 1 -18 4  3  o 608.6754 7.582422 44703.31       1112.553 42674.44       1498.642 47194.29       1660.562 593.3909 10.43890 623.9600 11.00008 -30.56915      15.16484 
1 1 1 -18 4  4  o 619.1804 7.702594 46442.65       1153.446 45753.84       1605.361 47177.70       1658.368 614.4465 10.79907 623.9142 10.98635 -9.467773      15.40519 
1 1 1 -18 4  5  o 241.3212 3.354765 7044.947       195.8307 6949.622       273.7737 7144.824       280.2321 239.6504 4.721840 242.9920 4.766763 -3.341660      6.709530 
1 1 1 -18 4  6  o 243.2808 3.378205 7153.325       198.6857 6955.184       274.5271 7371.270       287.9191 239.7479 4.732909 246.8137 4.821685 -7.065811      6.756410 
1 1 1 -18 4  7  o 787.7274 9.722305 75253.23       1852.669 74619.95       2596.623 75909.91       2644.162 784.3622 13.68327 791.0925 13.81524 -6.730347      19.44461 
1 1 1 -18 4  8  o 418.9141 5.341349 21243.25       541.2444 20989.43       756.4619 21509.47       774.7358 416.3532 7.509704 421.4749 7.597655 -5.121704      10.68270 
1 1 1 -18 4  9  o 116.5092 2.233578 1642.503       62.95648 1661.843       89.02061 1623.152       89.04721 117.1956 3.139620 115.8229 3.177777 1.372620       4.467156 
1 1 1 -18 4  10 o 179.8055 2.748350 3912.895       119.5558 3885.598       168.5672 3940.525       169.5922 179.1745 3.888613 180.4365 3.884893 -1.262070      5.496700 
1 1 1 -18 4  11 o 139.9195 2.390157 2369.570       80.90984 2375.298       114.7678 2363.909       114.0829 140.0875 3.386244 139.7515 3.374129 0.3359680      4.780313 
1 1 1 -18 4  12 o 135.2018 2.341064 2209.031       76.51233 2110.244       105.7125 2317.717       110.8821 132.0327 3.309348 138.3710 3.312181 -6.338303      4.682128 
1 1 1 -18 4  13 o 314.9511 5.175132 11927.73       366.7797 11726.41       441.8941 12373.59       657.6202 310.9459 5.873962 318.9563 8.522002 -8.010406      10.35026 
1 1 1 -18 4  14 o 319.5697 5.980036 12392.32       462.3510 12392.32       462.3510 0.000000       0.000000 319.5697 5.980036 ?        ?        ?              ?        
1 1 1 -18 4  15 o 146.7799 3.431118 2609.404       121.8442 2609.404       121.8442 0.000000       0.000000 146.7799 3.431118 ?        ?        ?              ?        
1 1 1 -18 6  1  o 581.7476 7.257833 40997.57       1021.444 40722.47       1434.541 41280.48       1454.751 579.7714 10.22713 583.7237 10.30099 -3.952332      14.51567 
1 1 1 -18 6  2  o 838.7762 12.74566 84870.21       2411.907 83775.46       2915.172 87245.69       4294.193 830.9467 14.50069 846.6058 20.96515 -15.65906      25.49133 
1 1 1 -18 6  3  o 587.7171 7.326783 41782.04       1040.530 40635.43       1429.704 43073.39       1517.260 579.1700 10.20323 596.2642 10.51766 -17.09412      14.65357 
1 1 1 -18 6  4  o 626.9832 7.796105 47484.10       1179.663 49606.35       1743.635 45692.73       1601.948 639.8409 11.26370 614.1255 10.78175 25.71539       15.59221 
1 1 1 -18 6  5  o 149.0800 2.516574 2687.314       90.73982 2770.462       130.1475 2608.666       126.5779 151.3226 3.554918 146.8374 3.563024 4.485168       5.033149 
1 1 1 -18 6  6  o 558.8488 6.983477 37805.26       943.6722 38589.64       1362.490 37082.07       1308.268 564.4081 9.977873 553.2894 9.773323 11.11871       13.96695 
1 1 1 -18 6  7  o 406.7147 5.221893 20006.21       513.4197 20539.80       744.3288 19521.90       709.1203 411.8784 7.469533 401.5510 7.299229 10.32745       10.44379 
1 1 1 -18 6  8  o 420.4612 5.372844 21381.73       545.9891 22005.85       794.2128 20822.46       751.8204 426.2647 7.701142 414.6577 7.494145 11.60709       10.74569 
1 1 1 -18 6  9  o 348.6255 4.544514 14720.67       383.3037 14783.93       543.8093 14658.20       540.3537 349.3694 6.433680 347.8816 6.420139 1.487885       9.089027 
1 1 1 -18 6  10 o 209.4953 3.048614 5313.357       154.5159 5295.338       217.8376 5331.604       219.2057 209.1381 4.305241 209.8525 4.317532 -0.7144012     6.097227 
1 1 1 -18 6  11 f 341.9726 4.471310 14165.88       369.6926 14512.39       534.7461 13848.63       511.6659 345.9669 6.388674 337.9783 6.257420 7.988556       8.942620 
1 1 1 -18 6  12 o 295.1127 3.949403 10556.76       281.9569 10474.74       395.5768 10641.47       401.9952 293.9502 5.562305 296.2752 5.608198 -2.324982      7.898805 
1 1 1 -18 6  13 o 181.1159 2.771504 3972.251       121.4287 4020.415       173.3952 3925.898       170.1042 182.1923 3.933731 180.0396 3.905214 2.152725       5.543007 
1 1 1 -18 6  14 o 156.9232 2.552016 2979.025       96.83030 2877.324       134.1723 3089.568       139.8837 154.1320 3.598054 159.7143 3.620102 -5.582352      5.104032 
1 1 1 -18 6  15 o 241.1041 4.775964 7050.618       278.5916 0.000000       0.000000 7050.618       278.5916 ?        ?        241.1041 4.775964 ?              ?        
1 1 1 -18 6  16 o 121.5195 3.181817 1788.210       93.43439 1885.782       136.1566 1701.368       128.4521 124.6438 4.515080 118.3952 4.484406 6.248619       6.363635 
1 1 1 -18 6  17 o 94.94467 2.900685 1092.730       66.63056 1092.730       66.63056 0.000000       0.000000 94.94467 2.900685 ?        ?        ?              ?        
1 1 1 -18 8  1  o 867.3568 13.32623 88672.71       2529.134 85183.84       2968.229 97917.91       4831.839 837.9648 14.64095 896.7488 22.27098 -58.78394      26.65247 
1 1 1 -18 8  2  o 517.6874 6.511295 32320.60       812.9144 30864.93       1097.860 34087.39       1209.501 504.8513 8.988372 530.5235 9.423218 -25.67215      13.02259 
1 1 1 -18 8  3  o 533.7531 6.693991 34492.96       864.1900 34989.56       1239.720 34023.56       1205.305 537.4842 9.533572 530.0219 9.399417 7.462341       13.38798 
1 1 1 -18 8  4  o 691.7666 8.572381 57872.29       1431.949 60115.49       2104.958 55939.97       1953.658 704.1873 12.35529 679.3459 11.88654 24.84143       17.14476 
1 1 1 -18 8  5  o 503.5048 6.335670 30705.16       771.7882 30688.76       1090.688 30721.61       1092.260 503.3704 8.955927 503.6392 8.964052 -0.2688293     12.67134 
1 1 1 -18 8  7  o 485.0188 6.122376 28497.85       718.3481 28239.65       1007.072 28765.31       1024.960 482.7856 8.621915 487.2519 8.694628 -4.466248      12.24475 
1 1 1 -18 8  8  o 506.0210 6.376620 31035.11       780.3094 30519.81       1084.218 31588.83       1123.900 501.6776 8.932837 510.3644 9.102175 -8.686768      12.75324 
1 1 1 -18 8  9  o 142.7723 2.479542 2467.171       85.64553 2478.799       120.8452 2455.436       121.3989 143.1106 3.490239 142.4339 3.522888 0.6766815      4.959084 
1 1 1 -18 8  10 o 251.7422 3.491986 7675.027       212.6536 7599.887       297.8097 7753.196       303.7536 250.4870 4.914184 252.9975 4.962526 -2.510574      6.983972 
1 1 1 -18 8  11 o 255.4365 3.536045 7905.698       218.5242 7944.694       309.7307 7867.047       308.3537 256.0638 4.999583 254.8092 5.001862 1.254578       7.072090 
1 1 1 -18 8  12 o 239.4982 3.368950 6950.607       195.2072 6974.628       276.7265 6926.815       275.4077 239.9098 4.767606 239.0867 4.761221 0.8231659      6.737899 
1 1 1 -18 8  13 o 89.05061 2.297668 960.4305       49.46906 916.8585       69.77414 1004.470       70.14698 87.01759 3.314249 91.08365 3.183217 -4.066063      4.595336 
1 1 1 -18 8  15 o 147.4485 3.571973 2634.564       127.4239 0.000000       0.000000 2634.564       127.4239 ?        ?        147.4485 3.571973 ?              ?        
1 1 1 -18 8  16 o 102.2910 3.092229 1268.206       76.52642 0.000000       0.000000 1268.206       76.52642 ?        ?        102.2910 3.092229 ?              ?        
1 1 1 -18 8  17 o 125.7044 3.221155 1917.551       97.96355 0.000000       0.000000 1917.551       97.96355 ?        ?        125.7044 3.221155 ?              ?        
1 1 1 -18 8  18 o 103.6938 3.092247 1312.089       77.55341 1320.642       111.1873 1303.986       108.2267 104.0133 4.418393 103.3743 4.327328 0.6389923      6.184494 
1 1 1 -18 8  19 o 97.05033 2.988874 1148.942       70.05119 1060.797       96.28478 1248.067       102.1060 93.09537 4.274913 101.0053 4.178349 -7.909927      5.977748 
1 1 1 -18 10 1  o 363.8297 4.743876 16009.77       417.2837 16407.51       603.9238 15646.40       577.2369 368.1469 6.780453 359.5125 6.636481 8.634430       9.487752 
1 1 1 -18 10 2  o 128.8053 3.561566 2007.386       110.9883 2007.386       110.9883 0.000000       0.000000 128.8053 3.561566 ?        ?        ?              ?        
1 1 1 -18 10 3  o 257.8730 5.074816 8047.802       316.6128 0.000000       0.000000 8047.802       316.6128 ?        ?        257.8730 5.074816 ?              ?        
1 1 1 -18 10 4  o 486.5356 7.447877 29127.66       849.4917 30632.24       1091.605 26817.37       1352.670 502.8429 8.972858 470.2284 11.88997 32.61456       14.89575 
1 1 1 -18 10 5  o 367.6443 5.849440 16413.60       491.7353 16496.14       604.5659 16252.23       845.2725 369.1010 6.770116 366.1877 9.540929 2.913239       11.69888 
1 1 1 -18 10 6  o 554.6057 8.486103 37607.33       1085.644 36502.08       1822.294 38215.45       1351.707 547.9077 13.74702 561.3037 9.953651 -13.39600      16.97221 
1 1 1 -18 10 7  o 111.6289 4.767159 1508.626       128.7475 1508.626       128.7475 0.000000       0.000000 111.6289 4.767159 ?        ?        ?              ?        
1 1 1 -18 10 8  o 467.1374 8.410130 26335.96       943.9194 28494.94       1440.533 24711.48       1249.552 483.6597 12.31065 450.6150 11.46163 33.04471       16.82026 
1 1 1 -18 10 9  o 123.0669 3.432929 1833.319       102.2135 0.000000       0.000000 1833.319       102.2135 ?        ?        123.0669 3.432929 ?              ?        
1 1 1 -18 10 10 o 111.3897 2.382953 1501.412       64.18221 1484.140       89.06138 1520.073       92.57528 110.7246 3.324628 112.0548 3.414777 -1.330177      4.765905 
1 1 1 -18 10 11 o 368.7370 4.792431 16502.88       427.5021 16373.07       599.8926 16636.82       609.3776 367.2687 6.751297 370.2052 6.803644 -2.936493      9.584863 
1 1 1 -18 10 12 o 397.7043 5.132554 19197.86       493.4323 19726.18       715.8860 18719.70       681.0535 402.8897 7.344385 392.5188 7.171640 10.37091       10.26511 
1 1 1 -18 10 13 o 248.5931 3.486731 7479.217       209.4429 7775.680       305.6890 7216.916       287.5375 253.2200 4.989758 243.9662 4.871498 9.253784       6.973463 
1 1 1 -18 10 14 o 158.0776 2.660420 3023.492       101.6575 3138.962       147.6085 2919.311       140.2076 160.9421 3.790874 155.2131 3.733714 5.729004       5.320841 
1 1 1 -18 10 15 o 36.50616 3.698981 161.4819       32.61508 171.7206       47.82375 152.5791       44.59473 37.58350 5.259496 35.42882 5.202649 2.154678       7.397963 
1 1 1 -18 10 16 o 115.1145 3.293532 1607.460       91.72638 0.000000       0.000000 1607.460       91.72638 ?        ?        115.1145 3.293532 ?              ?        
1 1 1 -18 10 17 o 76.93687 2.348008 717.8976       43.64150 741.5270       63.82392 697.1481       59.80839 78.11808 3.376989 75.75566 3.263207 2.362419       4.696017 
1 1 1 -18 10 18 o 85.79343 2.224605 894.1581       46.13180 922.0780       67.03222 869.0363       63.58466 87.05849 3.182513 84.52837 3.109192 2.530128       4.449209 
1 1 1 -18 10 19 o 51.17646 3.769838 324.3630       46.52546 313.1470       67.83627 334.3248       63.93110 50.28862 5.575579 52.06430 5.075395 -1.775684      7.539676 
1 1 1 -18 10 20 o 70.68320 3.345131 617.8252       57.06988 561.6895       79.32758 678.0488       82.16518 67.31006 4.871266 74.05633 4.585887 -6.746269      6.690261 
1 1 1 -18 12 1  o 566.4660 7.102761 38902.31       972.8771 38174.00       1348.892 39691.91       1404.504 560.9612 9.938985 571.9708 10.14955 -11.00952      14.20552 
1 1 1 -18 12 2  o 302.4783 4.073334 11075.02       298.0260 10922.67       416.2802 11235.20       426.8639 300.3466 5.728761 304.6100 5.792192 -4.263336      8.146667 
1 1 1 -18 12 3  o 286.6212 3.905886 9929.162       270.4981 9615.080       371.2207 10284.71       394.9667 281.8012 5.444865 291.4412 5.601537 -9.639954      7.811771 
1 1 1 -18 12 4  o 489.6450 6.199852 29059.38       734.0588 28523.93       1018.220 29638.83       1059.226 484.9647 8.678190 494.3253 8.856730 -9.360565      12.39970 
1 1 1 -18 12 5  o 186.3113 2.923086 4200.755       131.7398 4137.643       184.3532 4266.619       188.3269 184.8820 4.121484 187.7406 4.146214 -2.858643      5.846171 
1 1 1 -18 12 6  o 73.41368 2.618770 652.0645       46.43439 705.5576       66.53954 601.2846       64.83012 76.34844 3.602279 70.47891 3.802028 5.869530       5.237540 
1 1 1 -18 12 7  o 90.80677 3.469270 998.1252       76.21819 998.1252       76.21819 0.000000       0.000000 90.80677 3.469270 ?        ?        ?              ?        
1 1 1 -18 12 8  o 294.5015 3.973787 10499.46       282.9033 10805.14       410.3230 10222.49       390.5782 298.5764 5.680260 290.4267 5.558648 8.149689       7.947573 
1 1 1 -18 12 9  o 96.56995 2.409916 1129.009       56.30325 1141.180       79.80054 1116.945       79.45026 97.08842 3.397317 96.05146 3.418921 1.036964       4.819832 
1 1 1 -18 12 10 f 303.2613 5.763639 11153.86       422.8789 11153.86       422.8789 0.000000       0.000000 303.2613 5.763639 ?        ?        ?              ?        
1 1 1 -18 12 11 o 31.25779 4.678255 122.6530       35.34418 175.3736       50.65609 72.63949       49.33840 38.02563 5.506213 24.48996 7.564779 13.53567       9.356509 
1 1 1 -18 12 12 o 242.8926 3.454380 7140.680       202.7606 7417.884       295.5714 6894.275       278.6682 247.3307 4.939488 238.4544 4.830364 8.876343       6.908759 
1 1 1 -18 12 13 o 33.49609 4.837039 141.1409       38.33606 119.9825       56.40654 159.3036       52.26122 30.78162 7.615866 36.21056 5.965433 -5.428936      9.674079 
1 1 1 -18 12 14 o 176.5170 2.848900 3761.488       121.3574 4047.886       179.5199 3520.458       164.6882 182.6712 4.062003 170.3629 3.995630 12.30823       5.697800 
1 1 1 -18 12 15 o 92.42465 2.507307 1037.534       56.00161 989.4576       79.68119 1084.463       78.72397 90.29863 3.647307 94.55067 3.441439 -4.252045      5.014614 
1 1 1 -18 12 16 o 24.70270 4.797081 62.21947       32.82434 137.2695       52.59901 14.35019       42.00787 32.82356 6.845168 16.58183 6.722472 16.24173       9.594163 
1 1 1 -18 12 17 o 25.86308 4.919024 73.27885       33.01371 140.7679       54.25590 33.59995       41.60160 33.10831 6.992668 18.61785 6.920243 14.49046       9.838047 
1 1 1 -18 12 18 o 54.05820 3.043083 352.9777       39.00705 382.7029       62.65443 334.1641       49.84541 55.83570 4.638072 52.28070 3.940773 3.554996       6.086165 
1 1 1 -18 12 19 o 15.39019 4.786204 -7.895173      31.11572 1.242118       58.76744 -11.45457      36.67891 17.71759 7.613716 13.06279 5.801924 4.654799       9.572408 
1 1 1 -18 12 20 o 23.68501 4.422955 74.30487       25.61119 67.98586       39.58290 78.85529       33.58988 22.81336 6.718499 24.55666 5.754294 -1.743294      8.845910 
1 1 1 -18 14 1  o 464.0165 5.917202 26012.16       661.8329 24771.56       890.9999 27539.20       988.5252 451.7742 8.151808 476.2589 8.579112 -24.48477      11.83440 
1 1 1 -18 14 2  o 131.8619 2.629709 2098.848       83.76572 1955.748       115.2103 2259.329       122.0069 127.1065 3.746459 136.6173 3.691277 -9.510742      5.259418 
1 1 1 -18 14 3  o 189.4225 2.976460 4344.394       136.4050 4339.066       192.4642 4349.770       193.3504 189.3061 4.202261 189.5389 4.216425 -0.2327728     5.952919 
1 1 1 -18 14 4  o 73.57396 2.860171 655.8146       50.87943 636.0626       72.46026 675.0244       71.45896 72.47909 4.132234 74.66883 3.955624 -2.189743      5.720343 
1 1 1 -18 14 5  o 312.0042 5.918967 11799.86       446.7953 11799.86       446.7953 0.000000       0.000000 312.0042 5.918967 ?        ?        ?              ?        
1 1 1 -18 14 6  o 390.3409 5.054080 18488.51       477.2466 18321.26       669.0889 18661.73       680.9241 388.5493 7.117631 392.1324 7.177342 -3.583191      10.10816 
1 1 1 -18 14 7  f 215.7339 3.183301 5636.377       166.1247 5545.778       232.5199 5730.842       237.4286 213.9642 4.491760 217.5036 4.511951 -3.539352      6.366601 
1 1 1 -18 14 8  o 105.2385 2.527236 1339.440       64.30776 1395.796       92.80288 1287.381       89.19424 107.3655 3.572682 103.1115 3.575422 4.253990       5.054473 
1 1 1 -18 14 9  o 148.9094 2.660048 2679.601       95.71739 2808.901       139.6006 2564.884       131.4927 152.2908 3.788882 145.5280 3.734673 6.762787       5.320095 
1 1 1 -18 14 10 o 336.6910 4.460166 13759.18       363.2175 13945.82       520.9999 13582.69       506.6355 338.9026 6.354194 334.4795 6.260713 4.423157       8.920331 
1 1 1 -18 14 11 o 130.8336 2.663163 2073.702       84.29272 2041.049       118.9084 2106.687       119.5097 129.7972 3.786558 131.8699 3.745893 -2.072632      5.326325 
1 1 1 -18 14 12 o 204.9110 3.122015 5084.917       154.6446 5261.971       224.4254 4924.843       213.3924 208.2982 4.453322 201.5238 4.376736 6.774445       6.244029 
1 1 1 -18 14 13 o 135.3958 2.676027 2213.989       87.47582 2400.791       128.4552 2052.450       119.4537 140.7003 3.773587 130.0912 3.795328 10.60910       5.352053 
1 1 1 -18 14 14 o 128.3188 2.602722 1986.404       80.53178 2146.140       120.0313 1855.638       108.6026 132.9769 3.730921 123.6608 3.629996 9.316116       5.205444 
1 1 1 -18 14 15 f 66.50198 2.961983 537.3041       47.50153 549.7728       70.40168 526.8839       64.35891 67.19501 4.330556 65.80894 4.042233 1.386070       5.923966 
1 1 1 -18 14 16 o 94.48012 2.613125 1075.971       59.42048 1227.541       89.22823 955.1910       79.65137 100.4014 3.673332 88.55885 3.717568 11.84253       5.226250 
1 1 1 -18 14 17 o 150.9713 5.300272 2807.853       193.5953 0.000000       0.000000 2807.853       193.5953 ?        ?        150.9713 5.300272 ?              ?        
1 1 1 -18 14 18 o 60.48672 3.096818 439.0353       44.49469 507.1649       71.64581 396.2613       56.76927 64.15878 4.615645 56.81466 4.130005 7.344112       6.193635 
1 1 1 -18 14 19 o 73.65989 2.877293 669.7867       50.41525 665.0110       78.62651 673.1211       65.69836 73.30566 4.433321 74.01411 3.668915 -0.7084503     5.754587 
1 1 1 -18 14 20 o 64.90789 4.335822 534.6093       66.91830 570.4938       106.0746 510.8864       86.24648 66.40594 6.602406 63.40984 5.621891 2.996105       8.671644 
1 1 1 -18 16 1  o 245.7344 3.522014 7295.682       208.9756 7650.402       307.5880 6991.578       284.7982 251.2590 5.059943 240.2099 4.900541 11.04909       7.044027 
1 1 1 -18 16 2  o 212.7106 3.205460 5481.059       164.9603 5464.067       232.8342 5498.185       233.7468 212.3797 4.531389 213.0415 4.535021 -0.6617889     6.410921 
1 1 1 -18 16 3  o 91.91205 2.763521 1022.858       61.44552 1033.729       87.68928 1012.371       86.12598 92.39140 3.922949 91.43271 3.893412 0.9586868      5.527041 
1 1 1 -18 16 4  o 55.10514 3.460462 367.8967       46.12192 370.9234       66.12253 365.0287       64.36544 55.32492 4.939993 54.88536 4.847233 0.4395599      6.920925 
1 1 1 -18 16 5  o 267.3127 3.726777 8661.502       241.0078 8721.126       343.0407 8603.386       338.6742 268.2194 5.286317 266.4060 5.254552 1.813354       7.453554 
1 1 1 -18 16 6  o 77.55016 2.929154 728.5963       54.94784 722.8824       78.26115 734.1516       77.16638 77.24910 4.187458 77.85123 4.096947 -0.6021271     5.858309 
1 1 1 -18 16 7  o 63.55062 3.334405 487.9690       51.01880 559.3492       74.29074 424.2570       70.18697 67.94040 4.519645 59.16084 4.903655 8.779560       6.668809 
1 1 1 -18 16 8  o 80.54401 2.889435 784.2512       56.23728 822.1300       82.02326 750.6494       77.25389 82.37437 4.115690 78.71366 4.056654 3.660706       5.778871 
1 1 1 -18 16 9  o 88.27214 2.845828 944.2211       60.76954 936.6998       86.37065 951.5945       85.51790 87.92270 4.060344 88.62158 3.988551 -0.6988831     5.691655 
1 1 1 -18 16 10 o 163.1092 2.843313 3224.400       112.2020 3206.797       158.2410 3242.199       159.1178 162.6615 4.020980 163.5569 4.021125 -0.8954010     5.686627 
1 1 1 -18 16 11 o 130.0399 2.749576 2048.749       86.46664 2097.130       124.5928 2003.798       120.0958 131.5178 3.915668 128.5620 3.861117 2.955856       5.499153 
1 1 1 -18 16 12 o 98.69209 2.753608 1180.018       65.39082 1356.445       94.67365 1019.069       90.42572 105.7502 3.700374 91.63397 4.078807 14.11623       5.507216 
1 1 1 -18 16 13 o 119.7601 2.684684 1734.704       77.56168 1828.429       115.1212 1656.794       104.9593 122.7010 3.877975 116.8192 3.713681 5.881836       5.369368 
1 1 1 -18 16 14 o 175.0535 4.120910 3730.347       174.5285 0.000000       0.000000 3730.347       174.5285 ?        ?        175.0535 4.120910 ?              ?        
1 1 1 -18 16 15 o 13.21564 4.452224 -72.04375      39.25225 -56.04731      57.17718 -86.30264      53.98259 14.15937 6.635521 12.27191 5.937932 1.887459       8.904448 
1 1 1 -18 16 16 o 35.75974 5.330241 167.4352       44.33508 145.7261       71.05745 181.2735       56.73235 33.27877 8.720344 38.24070 6.132006 -4.961933      10.66048 
1 1 1 -18 16 17 o 23.51263 5.882010 64.57729       43.07451 18.07244       76.03770 86.55354       52.27050 21.15094 8.854640 25.87431 7.745160 -4.723366      11.76402 
1 1 1 -18 16 18 o 78.79297 2.986364 752.2762       55.67444 832.1588       90.30137 703.2905       70.71358 81.97829 4.552954 75.60765 3.865759 6.370636       5.972728 
1 1 1 -18 16 19 o 31.54083 5.857362 148.7211       47.59478 76.44082       80.48009 187.5963       59.02214 25.43319 9.590945 37.64848 6.726703 -12.21528      11.71472 
1 1 1 -18 16 20 o 90.57506 4.300471 1025.085       92.15247 1370.613       148.1234 806.9007       117.7048 102.6251 5.965788 78.52501 6.195609 24.10011       8.600942 
1 1 1 -18 18 1  o 122.5398 2.795171 1818.718       82.85815 1831.626       118.2643 1806.274       116.1233 122.9659 3.975270 122.1138 3.930541 0.8521194      5.590342 
1 1 1 -18 18 2  f 275.2601 3.841543 9165.508       255.4081 8796.348       349.1604 9590.379       374.5810 269.3234 5.358566 281.1969 5.505958 -11.87357      7.683086 
1 1 1 -18 18 3  o 69.22530 3.382755 580.7633       56.64415 575.9603       79.20985 585.7902       81.03520 68.93342 4.749491 69.51717 4.818139 -0.5837479     6.765511 
1 1 1 -18 18 4  o 152.9872 2.828598 2818.155       104.3764 2588.421       141.3473 3093.655       154.7876 146.1723 3.996873 159.8020 4.003608 -13.62978      5.657197 
1 1 1 -18 18 5  o 104.0224 2.832690 1310.168       71.24299 1244.613       99.53108 1379.044       102.0206 101.3536 4.058982 106.6913 3.952364 -5.337639      5.665379 
1 1 1 -18 18 6  o 340.4852 4.534618 14081.43       373.5341 14045.94       526.1281 14117.50       530.4120 340.0565 6.394965 340.9138 6.430821 -0.8573914     9.069236 
1 1 1 -18 18 7  o 177.8163 2.982074 3828.066       128.1949 3938.491       185.7047 3727.540       177.1852 180.2600 4.258153 175.3727 4.176026 4.887329       5.964148 
1 1 1 -18 18 8  o 24.68126 6.325362 61.24135       48.76950 52.98825       69.54395 69.22773       68.41098 23.94494 8.938075 25.41758 8.952744 -1.472645      12.65072 
1 1 1 -18 18 9  o 149.9136 3.960631 2725.011       143.6507 0.000000       0.000000 2725.011       143.6507 ?        ?        149.9136 3.960631 ?              ?        
1 1 1 -18 18 10 o 186.5193 3.038784 4214.677       136.9754 4403.449       199.5421 4046.459       188.3658 190.4561 4.330493 182.5825 4.264230 7.873566       6.077568 
1 1 1 -18 18 11 o 101.9694 2.820482 1257.830       69.39489 1324.258       102.8124 1202.243       94.05029 104.4253 4.069467 99.51342 3.906395 4.911873       5.640965 
1 1 1 -18 18 12 o 128.4820 2.779474 1986.950       85.89069 2190.079       130.4055 1831.314       114.1472 134.2109 4.016112 122.7530 3.843534 11.45789       5.558949 
1 1 1 -18 18 13 o 72.80147 3.361376 631.6361       58.39901 747.4702       92.34207 554.4277       75.39000 78.21024 4.880156 67.39270 4.623795 10.81754       6.722752 
1 1 1 -18 18 14 o 26.14780 6.241180 62.49598       49.78468 140.4044       79.43015 12.08731       63.89190 32.84184 9.473341 19.45376 8.128047 13.38808       12.48236 
1 1 1 -18 18 15 o 36.77678 5.907362 174.5423       51.08662 207.2374       78.31831 150.3281       67.39967 39.74714 8.406904 33.80643 8.301307 5.940712       11.81472 
1 1 1 -18 18 16 o 112.7371 2.920289 1540.942       79.03569 1724.089       121.3541 1406.033       104.1538 118.4360 4.235146 107.0382 4.021926 11.39779       5.840578 
1 1 1 -18 18 17 o 79.45403 3.168427 767.8449       60.28035 879.8562       93.83069 689.1254       78.66026 84.25126 4.603267 74.65678 4.354956 9.594475       6.336853 
1 1 1 -18 18 18 o 30.26718 6.410899 129.5110       50.01834 112.6982       84.63719 138.5342       62.00433 28.81667 9.969533 31.71769 8.062685 -2.901018      12.82180 
1 1 1 -18 18 19 o 63.45296 3.909159 498.5523       58.27713 603.5942       97.52952 440.2204       72.67886 68.17513 5.912999 58.73079 5.114933 9.444340       7.818318 
1 1 1 -18 18 20 o 19.68590 6.564892 -50.43027      81.83253 -91.77871      125.2610 -19.64307      108.0865 19.16063 9.214527 20.21116 9.353272 -1.050531      13.12978 
1 1 1 -18 20 1  o 73.17220 3.485524 651.5837       61.50961 606.7919       88.33096 693.7508       85.70396 70.71299 5.163111 75.63140 4.683779 -4.918411      6.971047 
1 1 1 -18 20 2  o 217.5173 4.712663 5738.566       248.0062 0.000000       0.000000 5738.566       248.0062 ?        ?        217.5173 4.712663 ?              ?        
1 1 1 -18 20 3  o 98.77737 3.007663 1176.727       71.62803 1050.381       97.75105 1323.230       105.2599 93.07674 4.340882 104.4780 4.164239 -11.40128      6.015326 
1 1 1 -18 20 4  o 30.86020 6.429714 118.2594       51.25900 117.4165       73.15945 119.0722       71.84090 30.78988 9.150863 30.93051 9.034744 -0.1406345     12.85943 
1 1 1 -18 20 5  o 160.5405 4.192762 3125.283       162.8497 0.000000       0.000000 3125.283       162.8497 ?        ?        160.5405 4.192762 ?              ?        
1 1 1 -18 20 6  o 227.0921 3.382291 6251.514       185.6685 6473.513       269.5391 6051.063       256.1240 230.9161 4.824644 223.2681 4.741560 7.648026       6.764582 
1 1 1 -18 20 7  o 129.2057 2.899458 2024.937       90.61964 2076.406       129.4285 1975.444       126.9195 130.8168 4.089442 127.5947 4.111435 3.222092       5.798917 
1 1 1 -18 20 8  o 73.34984 3.261313 653.8367       57.81087 651.4672       83.67395 656.0010       79.96587 73.21471 4.723780 73.48497 4.497838 -0.2702637     6.522625 
1 1 1 -18 20 9  o 114.7230 2.812475 1594.244       77.95496 1683.199       113.9096 1515.881       106.9127 117.7227 3.999428 111.7234 3.955331 5.999344       5.624950 
1 1 1 -18 20 10 o 116.8133 2.782789 1655.672       78.55698 1724.789       114.4731 1594.148       108.0018 119.1077 3.972475 114.5188 3.898090 4.588951       5.565578 
1 1 1 -18 20 11 o 97.23215 3.032216 1140.098       70.87858 1261.442       107.9200 1048.054       93.99203 101.7171 4.385365 92.74722 4.188783 8.969864       6.064432 
1 1 1 -18 20 12 o 21.30118 6.099371 25.71708       48.67216 38.29871       73.08659 15.69054       65.24465 22.66575 8.975087 19.93661 8.261786 2.729149       12.19874 
1 1 1 -18 20 13 o 187.4993 3.113716 4259.255       140.2109 4676.820       214.6905 3948.697       185.1492 195.3547 4.542414 179.6440 4.259974 15.71066       6.227431 
1 1 1 -18 20 14 o 58.64010 4.026335 417.6974       56.50877 492.7475       88.01109 365.0578       73.70861 63.00884 5.773426 54.27136 5.613648 8.737480       8.052670 
1 1 1 -18 20 15 o 94.01971 3.266747 1093.866       73.57172 1076.545       111.6490 1107.159       97.81107 93.21695 4.950599 94.82247 4.263580 -1.605522      6.533494 
1 1 1 -18 20 16 o 53.73005 4.589852 358.0134       58.85560 447.0919       91.82471 295.9001       76.67708 59.29122 6.401280 48.16887 6.579559 11.12235       9.179705 
1 1 1 -18 20 17 o 67.74271 3.984832 582.1494       65.15550 606.8481       96.16132 561.1863       88.59111 68.99249 5.760978 66.49292 5.506967 2.499573       7.969665 
1 1 1 -18 20 18 o 20.23727 6.202072 0.3833938E-01  57.36988 61.01223       87.49701 -45.94335      75.98253 23.85537 9.691105 16.61917 7.742434 7.236202       12.40414 
1 1 1 -18 20 19 o 27.01149 7.607780 5.883160       90.28477 287.6859       142.1786 -184.5330      116.8728 37.81319 12.92870 16.20979 8.022593 21.60340       15.21556 
1 1 1 -18 22 1  o 33.38776 6.361507 142.0389       53.07320 115.6464       76.06968 167.0711       74.08340 30.60120 9.383296 36.17432 8.592371 -5.573120      12.72301 
1 1 1 -18 22 2  o 183.6171 4.359047 4094.690       193.6453 4094.690       193.6453 0.000000       0.000000 183.6171 4.359047 ?        ?        ?              ?        
1 1 1 -18 22 3  o 123.0187 2.866745 1836.828       85.30218 1850.716       122.1572 1823.612       119.1693 123.4687 4.089402 122.5688 4.018669 0.8999176      5.733490 
1 1 1 -18 22 4  o 81.60152 3.292828 809.3895       65.00455 818.2209       92.54347 800.7883       91.32920 82.04037 4.662468 81.16268 4.651049 0.8776855      6.585656 
1 1 1 -18 22 5  o 107.7754 2.898808 1410.115       75.55588 1467.098       108.1502 1355.788       105.5998 109.9045 4.067328 105.6463 4.131486 4.258255       5.797615 
1 1 1 -18 22 6  o 171.7964 3.022758 3554.601       125.0374 3974.948       188.0595 3221.547       167.3977 180.8090 4.299054 162.7839 4.250458 18.02512       6.045516 
1 1 1 -18 22 7  o 165.5929 2.963365 3321.729       118.3916 3521.174       175.6045 3155.530       160.3019 170.1136 4.266721 161.0722 4.113540 9.041351       5.926729 
1 1 1 -18 22 8  o 83.97431 3.293961 865.3940       66.47231 798.0634       97.27983 924.3668       91.04198 80.84312 4.973675 87.10550 4.320100 -6.262375      6.587921 
1 1 1 -18 22 9  o 80.61187 3.332093 788.4482       64.71903 893.9021       95.83676 700.0400       87.75002 85.54613 4.630517 75.67760 4.792670 9.868530       6.664186 
1 1 1 -18 22 10 o 85.99310 3.176511 893.4609       65.62305 1054.513       98.63122 765.5399       87.90260 92.88425 4.389044 79.10196 4.593166 13.78230       6.353022 
1 1 1 -18 22 11 o 114.9265 2.994348 1619.352       83.07661 1539.702       119.4145 1694.062       115.6519 112.1298 4.401834 117.7232 4.060583 -5.593384      5.988696 
1 1 1 -18 22 12 o 127.3549 2.968033 1964.266       90.84336 2205.537       138.5386 1782.272       120.3225 134.1035 4.270003 120.6062 4.123585 13.49736       5.936066 
1 1 1 -18 22 13 o 31.85850 6.917402 136.3475       58.42271 122.4128       90.04830 146.4768       76.77451 30.72992 10.29011 32.98708 9.247458 -2.257158      13.83480 
1 1 1 -18 22 14 o 128.6342 3.956591 2037.408       123.1345 0.000000       0.000000 2037.408       123.1345 ?        ?        128.6342 3.956591 ?              ?        
1 1 1 -18 22 15 o 49.57258 5.105184 318.0527       60.81372 329.8225       92.07207 308.9443       80.99588 50.20849 7.579637 48.93666 6.841105 1.271828       10.21037 
1 1 1 -18 22 16 o 44.33173 6.171728 271.6964       64.71716 341.8613       96.08096 213.4258       87.55924 50.37145 7.884072 38.29201 9.497489 12.07944       12.34346 
1 1 1 -18 22 17 o 22.13364 6.737877 33.45825       65.31213 30.38448       94.53703 36.26494       90.33668 22.11196 9.579381 22.15532 9.477944 -0.4335785E-01 13.47575 
1 1 1 -18 24 1  f 200.8058 3.216665 4916.711       156.2417 4995.576       223.7260 4841.630       218.2924 202.3697 4.569499 199.2420 4.528511 3.127777       6.433330 
1 1 1 -18 24 2  o 44.98858 5.300018 262.7448       54.46304 202.5527       81.35267 311.6335       73.31725 39.58644 8.728931 50.39071 6.013861 -10.80427      10.60004 
1 1 1 -18 24 3  o 65.99731 3.798429 534.2682       60.38172 520.4934       89.01983 546.0062       82.17552 65.16705 5.646202 66.82758 5.082583 -1.660530      7.596858 
1 1 1 -18 24 4  o 77.24572 4.758044 728.9213       88.92117 0.000000       0.000000 728.9213       88.92117 ?        ?        77.24572 4.758044 ?              ?        
1 1 1 -18 24 5  o 112.2898 2.920741 1538.203       79.28043 1517.266       114.0374 1557.788       110.2951 111.5291 4.226266 113.0505 4.032566 -1.521454      5.841482 
1 1 1 -18 24 6  o 61.09643 4.038542 453.0382       58.90139 569.9685       88.47404 359.9568       78.93756 68.14340 5.366483 54.04946 6.036568 14.09394       8.077084 
1 1 1 -18 24 7  o 112.9973 3.060418 1536.143       82.99126 1781.911       127.3209 1354.579       109.4341 120.7226 4.359221 105.2721 4.296723 15.45049       6.120836 
1 1 1 -18 24 8  o 65.72359 4.005887 531.1979       63.33315 550.2554       95.45537 516.2112       84.64848 66.71454 5.913949 64.73265 5.404972 1.981888       8.011773 
1 1 1 -18 24 9  o 74.60465 3.625330 680.6166       65.16994 767.7939       96.87001 608.5365       88.08370 78.95020 5.071470 70.25911 5.181919 8.691086       7.250661 
1 1 1 -18 24 10 o 84.63907 3.446396 874.2546       70.09818 1029.665       104.7719 748.3107       94.31775 91.42289 4.736830 77.85524 5.007297 13.56765       6.892792 
1 1 1 -18 24 11 o 25.75814 6.347616 41.48314       55.80960 161.0510       88.13177 -38.56410      72.11048 34.37344 9.997208 17.14285 7.824625 17.23059       12.69523 
1 1 1 -18 24 12 o 125.3123 3.068240 1917.701       92.39787 2145.874       140.9970 1745.962       122.3240 131.7151 4.424581 118.9095 4.251997 12.80563       6.136480 
1 1 1 -18 24 13 o 23.06648 6.708903 37.47984       61.32302 1.281817       94.76421 63.55835       80.43467 21.62318 9.475278 24.50978 9.500348 -2.886595      13.41781 
1 1 1 -18 24 14 o 66.05777 4.151927 557.5688       66.04840 633.3967       95.83018 488.9547       91.15795 70.48000 5.619971 61.63553 6.113093 8.844471       8.303853 
1 1 1 -18 24 15 o 31.45460 7.393092 145.4344       70.31025 74.35622       97.73785 221.6691       101.2210 25.33149 10.25951 37.57770 10.64771 -12.24621      14.78618 
1 1 1 -18 24 16 o 26.88090 7.486936 105.0199       72.46825 67.03569       98.57946 149.6836       106.8961 23.98045 10.06306 29.78134 11.08836 -5.800884      14.97387 
1 1 1 -18 26 1  o 63.14535 4.241389 503.4108       63.46074 426.6902       94.75105 565.8236       85.46037 58.51551 6.692844 67.77519 5.211848 -9.259686      8.482778 
1 1 1 -18 26 2  o 54.75334 4.577628 375.5104       59.58356 357.3741       91.92626 388.6500       78.24516 53.45041 7.108636 56.05628 5.769403 -2.605869      9.155256 
1 1 1 -18 26 3  o 48.15638 4.891422 282.9640       56.30712 347.4616       87.43180 237.2560       73.60259 52.75017 6.850831 43.56260 6.983563 9.187569       9.782844 
1 1 1 -18 26 4  o 28.15173 6.801933 96.93124       55.41309 87.57077       86.15308 103.5360       72.36884 27.72223 10.01503 28.58122 9.206751 -0.8589878     13.60387 
1 1 1 -18 26 5  o 123.4157 4.131271 1866.192       123.3549 0.000000       0.000000 1866.192       123.3549 ?        ?        123.4157 4.131271 ?              ?        
1 1 1 -18 26 6  o 78.70258 5.289355 766.2531       100.7150 766.2531       100.7150 0.000000       0.000000 78.70258 5.289355 ?        ?        ?              ?        
1 1 1 -18 26 7  o 25.64852 6.924234 63.83467       61.30260 28.54920       89.48715 95.03583       84.14882 23.25323 9.659187 28.04380 9.923718 -4.790571      13.84847 
1 1 1 -18 26 8  o 54.16879 7.093335 393.5869       82.34479 390.9001       97.82498 400.1190       152.5305 55.40572 7.297816 52.93187 12.16567 2.473843       14.18667 
1 1 1 -18 26 9  o 41.78035 5.987064 229.2509       59.42001 292.9170       88.35799 176.6861       80.28596 47.66822 7.661514 35.89248 9.202226 11.77574       11.97413 
1 1 1 -18 26 10 o 45.79512 5.734620 279.2791       61.91217 254.0581       88.20366 303.7740       86.92442 43.15440 8.747589 48.43584 7.417758 -5.281433      11.46924 
1 1 1 -18 26 11 o 57.97418 4.952297 436.3926       69.41955 418.8408       97.94030 454.1129       98.40952 56.72694 7.136246 59.22143 6.868405 -2.494495      9.904594 
1 1 1 -18 26 12 o 38.15386 7.103540 213.5452       67.65022 161.9805       92.98106 271.5429       98.61063 33.03671 10.41426 43.27101 9.663555 -10.23431      14.20708 
1 1 1 -18 26 13 o 39.50617 6.988269 239.1300       67.01807 265.4497       91.71842 208.9802       98.16544 42.48561 9.190238 36.52674 10.53011 5.958870       13.97654 
1 1 1 -18 26 14 o 18.11640 5.975755 -52.39251      66.62830 4.265594       89.85497 -121.5955      99.30552 20.00683 8.969895 16.22598 7.898075 3.780849       11.95151 
1 1 1 -18 28 1  o 88.81510 3.523940 983.3903       75.40652 890.7335       107.3256 1073.720       105.9692 84.54189 5.247219 93.08832 4.705243 -8.546432      7.047880 
1 1 1 -18 28 2  o 67.64664 4.174891 571.4883       67.81293 601.1423       103.3790 549.0914       89.84322 69.05524 6.187759 66.23804 5.606289 2.817207       8.349781 
1 1 1 -18 28 3  o 41.39330 6.576028 232.9861       63.73856 247.6937       97.59643 222.0477       84.16704 42.34307 9.730953 40.44352 8.847889 1.899544       13.15206 
1 1 1 -18 28 4  o 70.12042 4.203891 624.3956       70.47123 575.8907       105.3615 663.6605       94.79637 67.38415 6.462819 72.85670 5.377989 -5.472549      8.407783 
1 1 1 -18 28 5  o 53.35108 5.003330 364.5580       64.29662 374.0085       95.95744 356.8579       86.61662 53.84872 7.365479 52.85344 6.773696 0.9952888      10.00666 
1 1 1 -18 28 6  o 54.28957 5.008606 379.2196       65.49582 387.7037       97.67383 372.2879       88.28613 54.69670 7.380993 53.88244 6.772405 0.8142586      10.01721 
1 1 1 -18 28 7  o 50.29966 5.653333 333.7108       68.71197 338.4910       99.92146 329.4225       94.64027 50.54792 8.170586 50.05140 7.815511 0.4965210      11.30667 
1 1 1 -18 28 8  o 31.91768 7.545268 146.3992       68.49662 140.4378       100.2365 151.6217       93.81927 31.42849 10.85079 32.40686 10.48736 -0.9783764     15.09054 
1 1 1 -18 28 9  o 87.21161 3.868646 967.3479       81.51873 1033.666       118.6340 908.0239       112.2043 90.05758 5.444860 84.36565 5.497199 5.691933       7.737292 
1 1 1 -18 28 10 f 24.48766 7.618537 33.05454       77.23862 27.07473       88.91330 51.44557       155.9287 21.83817 9.374213 27.13715 12.01218 -5.298979      15.23707 
1 1 1 -18 28 11 f 31.13677 9.028357 159.9946       109.5026 183.4622       147.2881 130.9935       163.7345 32.43115 12.77297 29.84239 12.76307 2.588755       18.05671 
1 1 1 -18 28 12 o 21.82474 7.384478 -68.04552      111.2129 -117.1803      158.6177 -20.53540      155.9733 20.67998 10.04662 22.96951 10.82531 -2.289530      14.76896 
1 1 1 -17 1  1  o 129.5825 2.271410 2031.499       71.20567 2004.906       100.0214 2058.827       101.3927 128.7228 3.211700 130.4422 3.212817 -1.719452      4.542819 
1 1 1 -17 1  2  o 600.9124 7.498953 43785.79       1089.860 44395.90       1565.431 43211.89       1518.242 604.9590 10.69561 596.8658 10.51385 8.093262       14.99791 
1 1 1 -17 1  3  o 124.1601 2.573847 1893.189       67.43647 1923.201       78.47480 1808.447       131.8649 126.0791 2.572674 122.2411 4.458711 3.837967       5.147695 
1 1 1 -17 1  4  o 267.7259 4.195427 8595.948       232.6784 8521.372       266.6418 8834.027       476.4190 265.3637 4.153215 270.0882 7.290902 -4.724487      8.390855 
1 1 1 -17 1  5  o 715.9204 10.25578 62062.52       1531.751 61904.59       1764.218 62546.11       3087.226 714.7242 10.20261 717.1165 17.79412 -2.392273      20.51155 
1 1 1 -17 1  6  o 857.4957 12.18680 89631.30       2201.051 89956.36       2551.337 88685.30       4352.417 861.4326 12.24177 853.5589 21.07632 7.873657       24.37359 
1 1 1 -17 1  7  o 498.4136 7.230096 30133.93       756.4144 30177.06       874.6229 30005.95       1506.691 499.2913 7.240434 497.5359 12.51692 1.755341       14.46019 
1 1 1 -17 1  8  o 475.6822 6.960346 27188.29       685.2585 26984.13       785.2148 27840.57       1403.491 472.1379 6.874123 479.2264 12.10505 -7.088501      13.92069 
1 1 1 -17 1  9  o 257.3401 3.514416 8013.052       218.7798 8106.490       312.4727 7923.199       306.4187 258.8110 4.990305 255.8693 4.949882 2.941681       7.028831 
1 1 1 -17 1  10 o 528.2156 6.642649 33762.72       847.4971 35014.81       1242.281 32672.66       1159.119 537.3350 9.555922 519.0963 9.229491 18.23865       13.28530 
1 1 1 -17 1  11 o 68.69337 1.903392 563.0855       31.18005 715.8555       46.94545 442.5003       41.70821 76.91608 2.522749 60.47067 2.850851 16.44541       3.806785 
1 1 1 -17 3  1  o 195.7045 2.883599 4627.953       136.4098 4794.293       198.1360 4478.066       188.0816 199.0421 4.114493 192.3670 4.041229 6.675018       5.767199 
1 1 1 -17 3  2  o 475.3113 6.002599 27365.06       690.1138 27043.03       963.7003 27704.03       988.7169 472.4469 8.431146 478.1758 8.546378 -5.728851      12.00520 
1 1 1 -17 3  3  o 541.1567 6.778625 35362.28       884.8707 33896.27       1197.266 37127.02       1313.601 528.8665 9.357125 553.4470 9.810364 -24.58051      13.55725 
1 1 1 -17 3  4  o 545.5771 6.824369 36053.54       900.5028 35528.35       1254.732 36611.38       1293.144 541.4885 9.577657 549.6657 9.724019 -8.177185      13.64874 
1 1 1 -17 3  5  o 508.0988 6.378664 31268.56       784.1050 31161.86       1105.357 31376.64       1112.461 507.2273 9.007361 508.9704 9.034206 -1.743134      12.75733 
1 1 1 -17 3  6  o 410.1259 5.239465 20341.27       519.4718 19868.30       717.6013 20862.00       752.9617 405.1257 7.321350 415.1260 7.497054 -10.00031      10.47893 
1 1 1 -17 3  7  o 875.0416 13.19368 93379.45       2647.706 94086.68       3268.099 92028.55       4516.735 880.5356 15.34073 869.5475 21.46985 10.98810       26.38735 
1 1 1 -17 3  8  o 247.5424 3.417028 7411.998       204.5806 7290.952       285.0161 7540.643       293.8263 245.4592 4.799409 249.6257 4.865181 -4.166443      6.834056 
1 1 1 -17 3  9  o 269.0945 3.648506 8761.434       237.4840 8643.854       331.8167 8884.913       340.0404 267.2448 5.132000 270.9442 5.187385 -3.699341      7.297012 
1 1 1 -17 3  10 o 609.7427 7.608807 45127.92       1122.290 45575.33       1603.313 44698.11       1571.481 612.6940 10.81614 606.7913 10.70452 5.902649       15.21761 
1 1 1 -17 3  11 o 255.3041 4.035041 8005.414       219.2709 8129.568       256.3432 7666.865       423.3022 259.1373 4.088740 251.4709 6.957617 7.666428       8.070083 
1 1 1 -17 3  12 o 211.0244 3.052878 5382.475       155.6536 5203.418       213.4925 5585.658       227.4220 207.2883 4.257018 214.7605 4.376991 -7.472137      6.105756 
1 1 1 -17 3  13 o 75.61726 2.747905 692.0736       50.27185 692.0736       50.27185 0.000000       0.000000 75.61726 2.747905 ?        ?        ?              ?        
1 1 1 -17 5  1  o 251.4346 4.900503 7650.793       298.1041 0.000000       0.000000 7650.793       298.1041 ?        ?        251.4346 4.900503 ?              ?        
1 1 1 -17 5  2  o 346.9355 4.517075 14558.96       378.9301 14900.63       547.2648 14244.29       525.1926 350.8402 6.447418 343.0308 6.328243 7.809418       9.034150 
1 1 1 -17 5  3  o 107.8848 2.193552 1405.678       57.20084 1330.954       79.09462 1487.611       82.82249 104.8843 3.116982 110.8854 3.087250 -6.001083      4.387104 
1 1 1 -17 5  4  o 224.0226 4.503816 6072.761       244.1039 0.000000       0.000000 6072.761       244.1039 ?        ?        224.0226 4.503816 ?              ?        
1 1 1 -17 5  5  o 864.7841 13.03319 91221.84       2586.552 91987.02       3195.541 89768.00       4404.724 870.6905 15.16974 858.8777 21.19752 11.81274       26.06637 
1 1 1 -17 5  6  o 1036.484 15.69522 130005.6       3674.539 128603.4       4448.696 133016.1       6518.630 1028.916 17.87107 1044.052 25.80667 -15.13611      31.39043 
1 1 1 -17 5  7  o 980.4349 14.83257 116662.3       3299.471 115983.5       4015.797 118072.6       5788.230 977.1316 16.98699 983.7383 24.32002 -6.606689      29.66515 
1 1 1 -17 5  8  o 488.1891 6.151907 28868.34       726.6079 28861.84       1027.687 28874.84       1027.470 488.1340 8.702012 488.2442 8.698208 -0.1102600     12.30381 
1 1 1 -17 5  9  o 196.5216 2.911518 4672.930       138.4159 4734.786       197.5123 4613.234       194.0334 197.7991 4.127315 195.2440 4.107677 2.555054       5.823035 
1 1 1 -17 5  10 o 205.0075 2.990238 5086.800       148.2987 5036.369       208.0004 5138.940       211.4953 203.9746 4.214886 206.0403 4.242738 -2.065689      5.980476 
1 1 1 -17 5  11 o 281.0850 3.788891 9568.183       257.5977 9723.900       369.4019 9420.783       359.4004 283.3079 5.389371 278.8621 5.327050 4.445862       7.577783 
1 1 1 -17 5  12 o 74.96362 2.936787 680.1664       53.26296 680.1664       53.26296 0.000000       0.000000 74.96362 2.936787 ?        ?        ?              ?        
1 1 1 -17 5  13 o 166.6888 2.620049 3364.649       105.6612 3348.941       149.2403 3380.435       149.6155 166.2985 3.709329 167.0790 3.701285 -0.7804718     5.240098 
1 1 1 -17 5  14 o 415.3062 5.432221 20972.98       545.7866 20885.75       767.0983 21062.41       776.7092 414.4406 7.650439 416.1717 7.714070 -1.731079      10.86444 
1 1 1 -17 5  15 o 248.0013 4.869869 7474.855       292.0962 7606.187       419.7780 7351.577       406.7048 250.1029 6.937431 245.8997 6.836266 4.203140       9.739738 
1 1 1 -17 5  16 f 120.3295 3.104415 1754.080       90.37621 1754.080       90.37621 0.000000       0.000000 120.3295 3.104415 ?        ?        ?              ?        
1 1 1 -17 7  1  o 378.0536 4.895603 17270.19       447.1227 16773.35       612.7817 17835.90       653.8702 372.2530 6.804016 383.8542 7.040815 -11.60123      9.791205 
1 1 1 -17 7  2  o 255.8133 3.534681 7916.582       218.7269 8043.288       312.8716 7795.460       305.8992 257.8145 5.015988 253.8122 4.981541 4.002319       7.069363 
1 1 1 -17 7  3  o 184.7468 2.827036 4129.371       126.3552 4166.487       179.6704 4093.051       177.7319 185.5681 4.001942 183.9256 3.994118 1.642548       5.654071 
1 1 1 -17 7  4  o 189.6471 2.876292 4350.910       131.9561 4303.210       184.8753 4400.448       188.4029 188.5878 4.051939 190.7064 4.083384 -2.118515      5.752585 
1 1 1 -17 7  5  o 638.9167 7.962996 49465.08       1230.881 49652.66       1746.749 49280.06       1734.771 640.1182 11.27893 637.7153 11.24380 2.402893       15.92599 
1 1 1 -17 7  6  o 600.6875 7.483537 43673.86       1086.619 44806.34       1576.917 42649.92       1499.432 608.0814 10.71876 593.2936 10.44612 14.78772       14.96707 
1 1 1 -17 7  7  o 267.1964 5.169471 8640.439       334.1789 8640.439       334.1789 0.000000       0.000000 267.1964 5.169471 ?        ?        ?              ?        
1 1 1 -17 7  8  o 500.3447 6.299074 30333.96       762.4218 30062.24       1068.240 30616.08       1088.500 498.0656 8.865030 502.6238 8.951233 -4.558258      12.59815 
1 1 1 -17 7  9  o 452.8753 5.754935 24865.84       630.5315 24744.60       887.3356 24989.49       896.1420 451.7628 8.118486 453.9878 8.158877 -2.224915      11.50987 
1 1 1 -17 7  10 o 201.6104 2.975193 4920.745       145.1116 4890.169       203.8360 4952.165       206.6302 200.9760 4.192126 202.2447 4.222934 -1.268707      5.950386 
1 1 1 -17 7  11 o 308.1821 4.097671 11508.68       305.4658 11677.88       437.2825 11347.43       426.8925 310.3907 5.823059 305.9734 5.766767 4.417206       8.195341 
1 1 1 -17 7  12 o 159.9512 2.599640 3095.587       100.5632 3191.110       144.5866 3006.077       139.9619 162.3394 3.681304 157.5630 3.671582 4.776413       5.199280 
1 1 1 -17 7  13 o 220.2852 3.165905 5879.123       168.7153 5938.239       240.3654 5821.712       236.8721 221.3758 4.487862 219.1947 4.466645 2.181076       6.331810 
1 1 1 -17 7  14 o 129.0518 2.366585 2016.728       73.88827 2033.707       104.9823 2000.061       104.0120 129.5900 3.348438 128.5137 3.345274 1.076309       4.733170 
1 1 1 -17 7  15 o 198.2150 2.936149 4762.805       140.8043 4752.352       198.8496 4773.316       199.4062 197.9970 4.151106 198.4330 4.153578 -0.4359894     5.872298 
1 1 1 -17 7  16 o 152.2935 3.528822 2812.055       130.0210 0.000000       0.000000 2812.055       130.0210 ?        ?        152.2935 3.528822 ?              ?        
1 1 1 -17 7  17 o 56.55080 3.128776 387.8481       42.66086 401.0708       63.41714 376.9185       57.65657 57.41925 4.565064 55.68237 4.279853 1.736881       6.257552 
1 1 1 -17 7  18 o 121.9642 3.166336 1794.948       92.92049 1599.048       124.1981 2044.021       140.0429 114.4863 4.483932 129.4421 4.471810 -14.95575      6.332672 
1 1 1 -17 9  1  o 546.0866 6.845681 36068.18       903.4089 35070.29       1242.293 37188.22       1316.128 538.0920 9.542562 554.0812 9.817987 -15.98914      13.69136 
1 1 1 -17 9  2  o 643.2705 8.003364 50085.13       1244.373 51485.53       1808.255 48825.36       1715.061 651.7863 11.46706 634.7548 11.16789 17.03149       16.00673 
1 1 1 -17 9  3  o 296.7050 3.979198 10648.20       285.5270 10454.33       397.0004 10855.93       410.9533 293.9101 5.583084 299.5000 5.671441 -5.589874      7.958396 
1 1 1 -17 9  4  o 747.2819 9.238898 67728.35       1670.348 67712.93       2361.831 67743.79       2362.626 747.1968 13.06506 747.3669 13.06649 -0.1700439     18.47780 
1 1 1 -17 9  5  o 383.3163 4.951636 17778.68       459.0205 17460.27       638.2187 18119.89       660.6693 379.7654 6.946272 386.8672 7.058620 -7.101837      9.903273 
1 1 1 -17 9  6  o 161.7271 2.663653 3162.992       104.1896 3240.774       149.6620 3089.844       145.1350 163.6552 3.779892 159.7991 3.754010 3.856049       5.327305 
1 1 1 -17 9  7  o 483.0047 6.109754 28227.83       713.0464 29180.23       1040.820 27385.49       978.8321 490.6552 8.767928 475.3542 8.511157 15.30109       12.21951 
1 1 1 -17 9  8  o 236.3258 4.069701 6810.451       221.4839 6918.569       275.1712 6611.541       373.2344 239.0525 4.757813 233.5990 6.604019 5.453461       8.139401 
1 1 1 -17 9  9  o 486.5635 6.155399 28729.77       724.3547 28297.52       1008.723 29189.96       1040.815 482.8004 8.635790 490.3266 8.773760 -7.526123      12.31080 
1 1 1 -17 9  10 o 46.79891 2.828307 265.6947       31.92708 272.7779       43.84329 257.6981       46.58473 47.46616 3.817832 46.13166 4.173902 1.334496       5.656615 
1 1 1 -17 9  11 o 311.0255 4.143135 11728.83       311.7367 11645.28       437.3577 11815.12       444.4525 309.9030 5.833224 312.1481 5.885215 -2.245056      8.286269 
1 1 1 -17 9  12 o 211.6003 3.101123 5424.421       158.7550 5459.380       225.4438 5390.034       223.5947 212.2762 4.389698 210.9243 4.381598 1.351898       6.202245 
1 1 1 -17 9  13 o 316.6672 4.211507 12166.15       322.5801 12360.17       462.4442 11982.28       450.1967 319.1194 5.989684 314.2150 5.922064 4.904388       8.423014 
1 1 1 -17 9  14 f 86.10097 3.312655 897.8755       69.00595 0.000000       0.000000 897.8755       69.00595 ?        ?        86.10097 3.312655 ?              ?        
1 1 1 -17 9  15 o 68.47637 3.429259 568.2386       56.81242 0.000000       0.000000 568.2386       56.81242 ?        ?        68.47637 3.429259 ?              ?        
1 1 1 -17 9  16 o 38.38040 3.113364 178.0545       28.72612 208.4624       42.16275 151.7111       39.24386 41.43034 4.206376 35.33046 4.591136 6.099884       6.226727 
1 1 1 -17 9  17 o 100.7132 2.221413 1227.386       54.04433 1308.826       79.03585 1155.865       74.06641 103.8409 3.145960 97.58550 3.137139 6.255440       4.442826 
1 1 1 -17 9  18 o 82.27402 4.364320 826.7698       86.87236 0.000000       0.000000 826.7698       86.87236 ?        ?        82.27402 4.364320 ?              ?        
1 1 1 -17 9  19 o 102.7532 3.169609 1293.034       78.71772 1217.133       109.1267 1375.372       113.6590 99.59976 4.528666 105.9067 4.435863 -6.306900      6.339218 
1 1 1 -17 9  20 o 49.98582 3.345836 308.3221       39.97743 248.5425       55.00574 375.2528       58.20289 44.77672 5.077541 55.19493 4.358560 -10.41822      6.691672 
1 1 1 -17 11 1  o 405.7462 5.223130 19933.76       512.7037 20077.45       729.4836 19793.49       720.7403 407.1900 7.404848 404.3024 7.368349 2.887634       10.44626 
1 1 1 -17 11 2  o 377.8416 4.901803 17267.49       447.7620 16841.95       618.9440 17734.72       648.5555 372.9665 6.859292 382.7168 7.004342 -9.750336      9.803606 
1 1 1 -17 11 3  o 399.1025 5.136316 19230.29       494.8198 18482.14       672.8734 20111.35       730.1980 390.6830 7.118797 407.5222 7.406058 -16.83920      10.27263 
1 1 1 -17 11 4  o 215.7048 3.163679 5629.091       165.0628 5547.555       230.3683 5715.116       236.6256 214.1007 4.447360 217.3089 4.500718 -3.208160      6.327359 
1 1 1 -17 11 5  o 244.0023 4.201966 7269.334       236.5849 7415.633       294.9446 7005.354       396.1934 247.5107 4.925429 240.4938 6.809276 7.016907       8.403933 
1 1 1 -17 11 6  o 320.5048 5.173869 12612.44       385.7451 11832.24       629.5348 13081.47       488.1122 312.3771 8.329871 328.6325 6.139130 -16.25546      10.34774 
1 1 1 -17 11 7  o 180.5880 2.835015 3940.787       123.7443 4109.815       179.8942 3788.975       170.4864 184.2563 4.035454 176.9197 3.983009 7.336670       5.670031 
1 1 1 -17 11 8  o 374.9377 5.925132 17257.07       515.8007 16371.21       848.0370 17777.21       649.8182 367.0127 9.550616 382.8628 7.015303 -15.85004      11.85026 
1 1 1 -17 11 9  o 124.4180 2.429718 1874.171       73.12776 1901.806       103.1435 1846.239       103.6952 125.3413 3.401304 123.4948 3.470626 1.846474       4.859436 
1 1 1 -17 11 10 o 100.2242 2.360742 1215.826       57.23483 1245.180       81.53504 1187.310       80.36226 101.4169 3.323010 99.03146 3.354105 2.385445       4.721485 
1 1 1 -17 11 11 o 134.0276 2.494519 2172.876       80.84222 2271.175       116.3870 2081.238       112.3749 136.9541 3.512589 131.1012 3.542910 5.852844       4.989037 
1 1 1 -17 11 12 o 187.1273 2.905361 4232.857       131.3746 4443.464       191.6193 4046.054       180.4655 191.5077 4.135716 182.7469 4.081709 8.760803       5.810722 
1 1 1 -17 11 13 o 167.4582 2.762690 3394.301       111.8685 3288.878       155.1629 3508.420       161.4354 164.7541 3.892685 170.1622 3.921329 -5.408066      5.525380 
1 1 1 -17 11 14 o 344.1774 5.551415 14568.58       440.6013 14847.87       548.9832 14063.06       738.5842 349.3143 6.495916 339.0406 9.004217 10.27365       11.10283 
1 1 1 -17 11 15 o 133.4816 3.075370 2053.484       91.43282 2446.163       171.9725 1898.742       107.9553 141.8405 5.011368 125.1227 3.566200 16.71788       6.150739 
1 1 1 -17 11 16 f 171.4025 2.759978 3548.262       114.0509 3833.393       170.2355 3316.060       153.6251 177.6003 3.961906 165.2048 3.843592 12.39551       5.519955 
1 1 1 -17 11 17 o 46.56534 3.084127 258.3014       34.33030 316.4809       53.36901 217.2345       44.83837 50.93567 4.330767 42.19500 4.392244 8.740669       6.168253 
1 1 1 -17 11 18 o 109.6864 3.273390 1465.016       86.86657 0.000000       0.000000 1465.016       86.86657 ?        ?        109.6864 3.273390 ?              ?        
1 1 1 -17 11 19 o 35.26451 3.351867 156.3633       27.97071 132.3318       41.95290 175.5938       37.52891 32.69368 5.303907 37.83534 4.099831 -5.141663      6.703733 
1 1 1 -17 11 20 o 40.91872 3.602322 176.5347       28.41706 158.4501       31.14573 266.3891       69.42474 35.92815 3.583121 45.90929 6.250451 -9.981136      7.204644 
1 1 1 -17 13 1  o 433.1972 5.547957 22655.43       579.5507 21626.65       782.2575 23907.19       862.8774 422.3658 7.655239 444.0287 8.032224 -21.66290      11.09591 
1 1 1 -17 13 2  o 204.9084 3.110249 5082.689       154.1868 5063.836       217.1720 5101.852       218.9451 204.5256 4.388880 205.2913 4.408212 -0.7656403     6.220499 
1 1 1 -17 13 3  o 94.75002 2.609987 1086.186       59.79755 1075.212       83.02864 1098.013       86.19313 94.25362 3.641058 95.24641 3.740432 -0.9927826     5.219975 
1 1 1 -17 13 4  o 367.2283 4.795931 16337.87       425.9442 16614.92       612.4414 16078.32       592.7912 370.2363 6.837279 364.2202 6.727216 6.016022       9.591862 
1 1 1 -17 13 5  o 192.3845 2.979197 4479.536       138.6414 4401.218       193.8354 4561.569       198.3806 190.6638 4.202062 194.1052 4.224349 -3.441330      5.958393 
1 1 1 -17 13 6  o 266.2518 3.679234 8585.959       236.9693 8693.156       338.5825 8483.031       331.7719 267.8789 5.224247 264.6247 5.182113 3.254242       7.358468 
1 1 1 -17 13 7  o 180.5852 2.860403 3946.931       124.9281 4014.415       179.5656 3883.623       173.9197 182.0791 4.076249 179.0912 4.013954 2.987976       5.720807 
1 1 1 -17 13 8  o 128.2744 2.515025 1992.522       78.03683 1955.336       110.6642 2029.302       110.0598 127.0824 3.599311 129.4664 3.513738 -2.383965      5.030049 
1 1 1 -17 13 9  o 218.2531 3.199033 5765.143       168.8156 5938.598       244.0555 5606.014       233.7597 221.3951 4.556363 215.1110 4.491637 6.284058       6.398066 
1 1 1 -17 13 10 o 151.2153 2.671074 2769.344       97.71861 2772.325       138.6155 2766.398       137.7783 151.2958 3.786889 151.1349 3.768025 0.1609192      5.342147 
1 1 1 -17 13 11 o 217.4303 3.211280 5728.534       168.9030 5640.000       236.4234 5820.823       241.3837 215.7160 4.530080 219.1446 4.552762 -3.428604      6.422559 
1 1 1 -17 13 12 o 179.7966 2.898172 3916.585       126.0509 3845.190       176.5146 3990.881       180.0641 178.1252 4.095933 181.4679 4.101334 -3.342682      5.796344 
1 1 1 -17 13 13 o 204.3297 3.101422 5062.860       153.2899 4999.404       214.2842 5129.366       219.3748 203.0218 4.362598 205.6377 4.409422 -2.615952      6.202844 
1 1 1 -17 13 14 o 94.41321 3.079825 1089.753       67.87962 1111.528       85.89654 1053.540       110.7721 95.72648 3.708867 93.09995 4.917886 2.626534       6.159651 
1 1 1 -17 13 15 o 157.3694 3.336455 2959.435       117.7195 3161.214       213.8931 2871.758       140.9943 160.9728 5.492144 153.7661 3.789997 7.206741       6.672910 
1 1 1 -17 13 16 o 125.9813 2.551099 1905.516       77.22311 2156.730       117.8662 1716.579       102.2178 133.1529 3.658778 118.8096 3.556088 14.34332       5.102198 
1 1 1 -17 13 17 o 45.27693 3.654005 245.8952       39.33997 283.7256       63.10109 221.8422       50.31534 48.02259 5.431114 42.53127 4.889785 5.491329       7.308010 
1 1 1 -17 13 18 o 33.64660 4.675447 144.0858       36.37889 143.8551       58.48799 144.2314       46.45937 33.17409 7.467398 34.11911 5.628249 -0.9450226     9.350894 
1 1 1 -17 13 19 o 70.00142 2.687258 590.3411       44.96392 675.3314       70.58573 532.3021       58.32999 74.12404 3.936004 65.87880 3.659687 8.245239       5.374517 
1 1 1 -17 13 20 o 52.17075 3.109598 336.5316       38.91350 350.9148       59.52034 325.7942       51.42660 53.06229 4.636359 51.27922 4.145186 1.783070       6.219196 
1 1 1 -17 15 1  o 57.10331 3.377883 393.8247       46.59851 421.3324       67.99205 369.4597       63.99033 58.97839 4.765000 55.22824 4.789067 3.750149       6.755767 
1 1 1 -17 15 2  o 458.5774 5.850049 25537.78       649.0146 25380.54       912.5499 25698.71       923.2338 457.1541 8.250717 460.0007 8.295659 -2.846619      11.70010 
1 1 1 -17 15 3  o 215.2686 3.214483 5606.900       167.3166 5778.555       241.7441 5449.063       231.8111 218.4263 4.574554 212.1108 4.517197 6.315445       6.428967 
1 1 1 -17 15 4  o 242.6078 3.467880 7130.500       203.5473 7105.775       286.9708 7155.533       288.7563 242.1850 4.897654 243.0305 4.910983 -0.8454742     6.935760 
1 1 1 -17 15 5  o 121.4288 2.644545 1784.402       77.61926 1679.187       108.4980 1894.702       111.0882 117.7622 3.808146 125.0955 3.670491 -7.333267      5.289091 
1 1 1 -17 15 7  f 270.2003 3.743547 8827.903       244.3038 9227.185       358.5002 8481.716       333.8145 275.8815 5.371115 264.5190 5.216101 11.36249       7.487094 
1 1 1 -17 15 8  o 114.5407 2.585145 1583.299       71.51196 1689.809       104.9233 1490.900       97.72617 118.1251 3.671364 110.9563 3.640464 7.168869       5.170290 
1 1 1 -17 15 9  f 214.1668 3.196448 5558.477       165.6176 5536.005       233.0532 5581.404       235.4017 213.7307 4.506982 214.6029 4.533896 -0.8722076     6.392895 
1 1 1 -17 15 10 o 204.4960 3.115963 5061.840       154.0483 5246.332       223.1690 4893.924       212.9074 208.0481 4.433716 200.9439 4.379391 7.104187       6.231926 
1 1 1 -17 15 11 o 114.7160 2.649976 1583.747       73.29694 1746.875       109.0303 1449.230       99.00800 120.0689 3.753310 109.3631 3.741945 10.70586       5.299951 
1 1 1 -17 15 12 o 119.5873 2.665711 1732.235       77.07641 1821.714       110.6910 1648.016       107.3890 122.5851 3.732265 116.5895 3.807133 5.995598       5.331422 
1 1 1 -17 15 13 o 134.7514 2.684144 2192.449       87.28609 2365.167       129.0728 2046.899       118.4877 139.6153 3.821198 129.8876 3.770539 9.727707       5.368288 
1 1 1 -17 15 14 o 92.04259 2.745567 1019.138       60.79666 1128.229       92.13250 934.9952       80.91458 96.35503 3.952175 87.73016 3.812199 8.624863       5.491134 
1 1 1 -17 15 15 o 80.55492 3.938370 790.0880       76.75574 0.000000       0.000000 790.0880       76.75574 ?        ?        80.55492 3.938370 ?              ?        
1 1 1 -17 15 16 o 106.9627 2.642700 1382.836       67.98118 1504.673       103.2269 1289.527       90.33710 111.0629 3.841684 102.8625 3.630002 8.200424       5.285399 
1 1 1 -17 15 17 o 52.34653 3.747053 335.9894       46.14566 348.5581       75.08498 328.3607       58.49699 53.01004 5.854539 51.68303 4.678248 1.327007       7.494107 
1 1 1 -17 15 18 o 31.65058 5.683806 128.1092       42.67253 161.4852       69.95903 108.3339       53.85032 34.69644 8.419537 28.60473 7.637671 6.091711       11.36761 
1 1 1 -17 15 19 o 32.09787 5.494531 129.5543       43.80166 215.8814       69.17962 71.78929       56.58967 40.31471 7.364074 23.88104 8.156587 16.43367       10.98906 
1 1 1 -17 15 20 o 32.87505 7.159302 157.8846       61.19661 166.8055       100.6184 152.6472       77.09518 33.29059 10.86640 32.45951 9.324366 0.8310814      14.31860 
1 1 1 -17 17 1  o 396.9458 5.155977 19084.58       494.1268 19934.17       727.7990 18358.09       673.0137 405.0884 7.426075 388.8032 7.154706 16.28525       10.31195 
1 1 1 -17 17 2  o 70.56693 4.617934 603.3696       78.84084 603.3696       78.84084 0.000000       0.000000 70.56693 4.617934 ?        ?        ?              ?        
1 1 1 -17 17 3  o 124.4691 2.698965 1874.883       81.24541 1811.837       113.2439 1941.753       116.6275 122.3140 3.826804 126.6241 3.806996 -4.310036      5.397930 
1 1 1 -17 17 4  o 66.25834 3.235548 534.3903       51.56021 470.1543       73.22192 597.5679       72.61614 62.28374 4.859193 70.23293 4.273562 -7.949188      6.471097 
1 1 1 -17 17 5  o 275.1068 3.822280 9165.745       254.1743 9445.680       369.1486 8913.393       350.4904 279.0881 5.467107 271.1255 5.343225 7.962616       7.644560 
1 1 1 -17 17 6  f 305.1600 4.132594 11297.94       305.0981 11239.04       429.4450 11357.96       433.5318 304.3590 5.832022 305.9611 5.856692 -1.602142      8.265187 
1 1 1 -17 17 7  o 131.1134 2.718904 2073.420       86.04421 2218.979       127.0958 1950.256       116.9110 135.3415 3.881486 126.8854 3.808389 8.456070       5.437809 
1 1 1 -17 17 8  o 153.2233 2.827796 2844.310       104.8201 2799.251       147.3829 2890.430       149.1081 151.9949 4.007889 154.4516 3.990308 -2.456696      5.655593 
1 1 1 -17 17 9  o 173.2195 2.921036 3634.814       122.3556 3700.184       176.3654 3574.156       169.8900 174.7166 4.172313 171.7223 4.089205 2.994324       5.842072 
1 1 1 -17 17 10 o 237.1183 3.454388 6824.430       198.1689 6859.562       280.5418 6789.442       279.9653 237.7286 4.877687 236.5080 4.892786 1.220627       6.908775 
1 1 1 -17 17 11 o 138.3457 2.773552 2321.135       92.81168 2355.617       133.0147 2288.419       129.5644 139.3443 3.945556 137.3470 3.899096 1.997284       5.547104 
1 1 1 -17 17 12 o 157.8389 2.845515 3022.748       108.5921 3092.965       157.0089 2958.358       150.3521 159.5882 4.066503 156.0896 3.981378 3.498688       5.691030 
1 1 1 -17 17 13 o 201.7193 3.135397 4915.611       152.2348 5331.309       229.9287 4591.146       203.1369 209.2212 4.542397 194.2173 4.323133 15.00395       6.270794 
1 1 1 -17 17 14 o 59.43826 3.726734 429.4755       52.88309 452.5057       82.60541 413.4818       68.83872 60.72712 5.622423 58.14939 4.893114 2.577721       7.453469 
1 1 1 -17 17 15 o 62.12075 3.589776 468.3049       53.62260 541.3210       80.87795 411.0334       71.62921 66.39773 5.034712 57.84378 5.118364 8.553947       7.179553 
1 1 1 -17 17 16 o 93.38983 2.898611 1050.471       64.86620 1203.707       100.5840 941.3661       84.87335 99.09435 4.195442 87.68533 4.000756 11.40902       5.797222 
1 1 1 -17 17 17 o 93.46902 2.906029 1045.247       64.50161 1228.898       104.0955 930.7854       82.17948 99.87531 4.307959 87.06274 3.901474 12.81256       5.812057 
1 1 1 -17 17 18 o 32.05688 6.190104 144.5146       49.10279 120.2459       80.96619 158.6332       61.75568 29.76954 9.749113 34.34422 7.630490 -4.574678      12.38021 
1 1 1 -17 17 19 o 45.47971 4.817154 258.4227       50.92611 316.6929       87.76531 228.8447       62.52929 48.84267 7.427132 42.11674 6.136580 6.725933       9.634309 
1 1 1 -17 17 20 o 38.17366 8.103169 234.9611       78.80219 299.8215       129.9771 197.2635       99.09072 41.52710 12.15886 34.82022 10.71483 6.706879       16.20634 
1 1 1 -17 19 1  o 77.22905 3.331556 723.6755       62.16725 681.0701       87.91952 766.2775       87.91602 74.94890 4.848616 79.50921 4.570338 -4.560310      6.663112 
1 1 1 -17 19 2  o 350.8695 4.652775 14954.37       394.9557 15037.33       561.0689 14872.89       556.0679 351.8314 6.591424 349.9075 6.568592 1.923889       9.305551 
1 1 1 -17 19 3  o 200.4180 3.163307 4868.344       153.3712 4851.848       215.3508 4885.324       218.4824 200.0757 4.448873 200.7603 4.498174 -0.6846924     6.326613 
1 1 1 -17 19 4  o 177.5784 3.000164 3817.883       128.8177 3717.665       178.4216 3927.003       186.1771 175.1491 4.210535 180.0078 4.274966 -4.858734      6.000328 
1 1 1 -17 19 5  o 227.1190 3.382419 6255.232       185.8570 6254.418       262.2419 6256.055       263.4452 227.1054 4.772789 227.1326 4.794114 -0.2722168E-01 6.764839 
1 1 1 -17 19 6  o 204.0323 3.184747 5047.481       157.2030 5017.841       221.1852 5077.736       223.4696 203.4281 4.494100 204.6365 4.513702 -1.208374      6.369493 
1 1 1 -17 19 7  o 139.1628 2.844800 2347.653       95.77949 2363.107       135.6537 2332.290       135.2525 139.6200 4.015888 138.7056 4.030407 0.9144287      5.689600 
1 1 1 -17 19 8  o 144.4293 3.998074 2529.644       139.7038 2529.644       139.7038 0.000000       0.000000 144.4293 3.998074 ?        ?        ?              ?        
1 1 1 -17 19 9  o 174.4038 2.948444 3691.599       124.4078 3712.763       176.1597 3670.541       175.7195 174.9034 4.162996 173.9042 4.176453 0.9992065      5.896889 
1 1 1 -17 19 10 o 75.38084 3.223057 688.0511       58.66488 736.9902       86.25127 645.9203       80.02724 77.86395 4.578537 72.89772 4.537551 4.966232       6.446114 
1 1 1 -17 19 11 o 122.7086 2.769543 1812.896       81.69928 1978.956       124.3695 1686.839       108.3587 127.5890 4.029009 117.8282 3.801126 9.760796       5.539085 
1 1 1 -17 19 12 o 42.35883 5.154226 211.9389       49.65710 347.6477       80.33006 128.0094       63.17298 53.19236 6.242039 31.52530 8.203726 21.66707       10.30845 
1 1 1 -17 19 13 f 122.4940 2.810387 1790.286       82.31493 2108.931       128.9124 1570.929       106.9590 131.4771 4.052677 113.5110 3.894728 17.96618       5.620773 
1 1 1 -17 19 14 o 83.08958 3.191361 835.3674       63.42510 916.2631       98.96793 778.9870       82.62204 86.40500 4.734273 79.77417 4.280863 6.630829       6.382721 
1 1 1 -17 19 15 o 72.39120 3.558297 628.1926       61.33017 806.4529       95.94946 505.0490       79.74829 80.85857 4.904719 63.92384 5.156514 16.93472       7.116594 
1 1 1 -17 19 16 o 55.03686 4.329846 360.8161       55.92537 514.3007       90.82767 267.0942       70.97516 64.05750 5.860652 46.01622 6.375189 18.04127       8.659693 
1 1 1 -17 19 17 o 60.52096 4.070440 449.1404       58.70024 563.0839       92.62854 372.6713       75.88272 66.75298 5.735507 54.28893 5.777359 12.46405       8.140880 
1 1 1 -17 19 18 o 32.70508 6.738878 144.6271       55.92393 211.2269       92.34815 106.0599       70.27505 37.82603 9.955475 27.58413 9.085066 10.24190       13.47776 
1 1 1 -17 19 19 o 26.23226 6.627362 77.63552       55.73140 174.1250       91.21133 20.15124       70.40173 33.02431 10.29955 19.44022 8.343082 13.58409       13.25472 
1 1 1 -17 21 1  o 261.5751 3.731601 8310.218       236.1402 8251.847       331.8395 8370.100       336.1067 260.6476 5.262256 262.5025 5.292264 -1.854858      7.463202 
1 1 1 -17 21 2  o 74.68626 3.483746 676.2620       62.87438 631.4831       87.30818 724.5024       90.61985 72.11732 5.003951 77.25522 4.848341 -5.137901      6.967492 
1 1 1 -17 21 3  o 110.9612 2.929794 1492.159       78.62105 1445.500       109.4212 1541.955       113.0410 109.1694 4.142841 112.7529 4.143867 -3.583466      5.859588 
1 1 1 -17 21 4  o 181.3030 3.049525 3988.340       133.7600 4032.143       189.7492 3945.072       188.5867 182.2938 4.302351 180.3122 4.322984 1.981613       6.099050 
1 1 1 -17 21 5  o 224.8489 3.373496 6126.626       183.2697 6422.458       267.7958 5866.014       251.3502 229.9339 4.813915 219.7639 4.727381 10.17003       6.746993 
1 1 1 -17 21 6  o 107.6415 2.934467 1404.065       76.33706 1498.563       110.3390 1317.308       105.7227 111.1135 4.104496 104.1695 4.194937 6.944038       5.868933 
1 1 1 -17 21 7  o 100.6502 3.438478 1222.064       80.01204 1265.913       135.8200 1198.758       99.01774 101.9454 5.506732 99.35506 4.119274 2.590317       6.876956 
1 1 1 -17 21 8  o 163.7474 2.946269 3250.805       116.5226 3390.851       170.9612 3129.306       159.2384 167.0211 4.230813 160.4737 4.101490 6.547409       5.892537 
1 1 1 -17 21 9  o 203.5598 3.221823 5018.096       158.1113 5392.769       236.0402 4713.155       212.9453 210.3872 4.637292 196.7325 4.473934 13.65466       6.443645 
1 1 1 -17 21 10 o 117.9095 2.872123 1678.587       81.56725 1898.140       121.8162 1500.144       109.8211 124.8436 4.033076 110.9755 4.090313 13.86812       5.744246 
1 1 1 -17 21 11 o 68.45781 3.701345 570.9067       60.84621 606.0402       92.89738 544.5103       80.52235 70.24696 5.466050 66.66865 4.992206 3.578316       7.402690 
1 1 1 -17 21 12 o 126.0427 2.898348 1935.862       87.92370 1997.855       132.0784 1886.528       117.8246 127.7934 4.271898 124.2920 3.918235 3.501434       5.796696 
1 1 1 -17 21 13 o 27.41830 6.701709 90.99666       53.91314 81.19600       83.37798 98.03870       70.67613 26.94192 9.834086 27.89469 9.107269 -0.9527683     13.40342 
1 1 1 -17 21 14 o 19.69022 5.877331 -32.12309      51.57958 69.40928       82.75992 -96.61058      65.95619 25.66596 9.714443 13.71448 6.618284 11.95148       11.75466 
1 1 1 -17 21 15 o 57.00402 4.524911 406.1653       61.88150 486.6419       93.43666 343.2873       82.59084 62.03373 6.225684 51.97431 6.568116 10.05942       9.049823 
1 1 1 -17 21 16 o 53.94438 4.870619 379.3652       63.03789 342.0841       91.67013 412.8097       86.82513 51.13310 7.410088 56.75566 6.323157 -5.622559      9.741238 
1 1 1 -17 21 17 o 60.69564 4.593291 482.5046       67.40877 485.5183       97.13085 479.7044       93.62647 60.80114 6.603029 60.59015 6.386963 0.2109909      9.186582 
1 1 1 -17 21 18 o 40.17336 6.928311 247.2059       68.68228 355.4513       104.2781 164.2680       91.27776 48.54811 9.215135 31.79862 10.34830 16.74949       13.85662 
1 1 1 -17 23 1  o 114.3256 2.928146 1586.598       80.94276 1654.586       116.7899 1523.756       112.2837 116.6801 4.137198 111.9711 4.144847 4.708939       5.856293 
1 1 1 -17 23 2  o 74.36557 3.449556 669.5635       61.86024 748.8087       91.14606 601.8884       84.22988 78.42944 4.803485 70.30170 4.952199 8.127747       6.899112 
1 1 1 -17 23 3  o 59.03521 4.069496 427.2880       57.84397 403.1513       84.51681 448.5564       79.33619 57.42825 6.082963 60.64217 5.407472 -3.213924      8.138992 
1 1 1 -17 23 4  o 152.5629 2.909822 2803.982       106.9064 3163.239       160.1725 2515.365       143.5642 161.2964 4.104507 143.8294 4.125686 17.46695       5.819644 
1 1 1 -17 23 5  o 56.20584 4.094100 385.6317       55.59880 401.0485       81.22284 372.0384       76.26801 57.25284 5.863796 55.15885 5.715114 2.093990       8.188201 
1 1 1 -17 23 6  o 194.0051 3.154993 4522.308       146.8848 5107.349       225.9995 4094.441       193.2718 204.6825 4.563778 183.3278 4.357506 21.35472       6.309987 
1 1 1 -17 23 7  o 137.7980 2.933039 2302.494       97.43003 2443.217       145.4660 2188.005       131.2081 141.5734 4.246953 134.0225 4.046512 7.550949       5.866077 
1 1 1 -17 23 8  o 91.51636 3.254501 1027.620       71.77221 951.7520       103.4177 1098.114       99.68754 88.19383 4.846790 94.83889 4.344623 -6.645058      6.509003 
1 1 1 -17 23 9  o 40.72439 5.759986 208.3610       55.59343 299.3917       83.78079 136.7471       74.31037 49.06094 7.058399 32.38783 9.104326 16.67311       11.51997 
1 1 1 -17 23 10 f 32.31755 6.512141 137.5823       56.11994 80.61219       82.54720 186.5439       76.52560 26.95722 9.793288 37.67789 8.586234 -10.72067      13.02428 
1 1 1 -17 23 11 o 61.84245 4.105826 473.8159       61.36062 506.5658       88.62688 443.6644       85.03837 63.91149 5.731710 59.77341 5.880369 4.138081       8.211653 
1 1 1 -17 23 12 o 66.97477 4.039460 557.5109       65.02252 571.0681       98.19551 546.9246       86.77190 67.59576 6.004404 66.35378 5.405192 1.241974       8.078920 
1 1 1 -17 23 13 o 178.1517 3.102885 3856.652       132.4368 4404.894       205.5739 3467.678       173.1579 188.6946 4.503044 167.6089 4.270149 21.08569       6.205770 
1 1 1 -17 23 14 o 55.65532 4.731446 386.2440       61.36644 556.8555       94.90722 263.6663       80.44531 66.27570 5.918922 45.03494 7.383271 21.24075       9.462893 
1 1 1 -17 23 15 f 24.10155 6.819035 53.60001       62.40445 92.80656       86.12486 10.26332       90.54761 26.83154 9.960257 21.37155 9.316127 5.459993       13.63807 
1 1 1 -17 23 16 o 25.19199 7.086577 70.60177       67.43282 120.3379       94.71909 19.48674       96.02312 28.56954 10.47346 21.81444 9.549076 6.755100       14.17315 
1 1 1 -17 23 17 o 22.83172 6.594699 23.12570       66.56323 -88.71234      92.18627 144.9448       96.21197 16.33599 7.868392 29.32745 10.58530 -12.99146      13.18940 
1 1 1 -17 25 1  o 107.2633 3.015435 1402.979       78.18922 1450.066       113.4238 1360.340       107.9330 108.9671 4.302356 105.5595 4.226243 3.407631       6.030870 
1 1 1 -17 25 2  o 101.7259 3.086265 1265.609       75.85800 1201.531       107.8708 1328.301       106.6976 99.14500 4.497083 104.3068 4.228046 -5.161827      6.172530 
1 1 1 -17 25 3  o 66.59900 3.776472 539.6354       60.28513 653.6620       89.63639 445.4603       81.46088 73.01220 5.074422 60.18580 5.594390 12.82640       7.552944 
1 1 1 -17 25 4  o 29.63512 6.558856 105.8100       52.32349 145.3045       81.52515 78.14648       68.23034 33.37714 9.588679 25.89309 8.951625 7.484055       13.11771 
1 1 1 -17 25 5  o 128.8026 2.938230 2016.340       91.24103 2155.406       136.1686 1903.028       122.9154 132.7851 4.238626 124.8200 4.070237 7.965126       5.876460 
1 1 1 -17 25 6  o 201.3936 3.244951 4953.736       157.7230 5221.880       233.1941 4727.640       214.1311 206.3512 4.670980 196.4360 4.505639 9.915222       6.489903 
1 1 1 -17 25 7  o 91.86032 3.395519 1021.232       74.87416 1204.650       113.9496 881.8698       99.32635 99.02216 4.756398 84.69849 4.847150 14.32367       6.791037 
1 1 1 -17 25 8  o 97.29893 4.198091 1151.460       90.39149 1238.548       167.9643 1115.955       107.2459 99.33926 6.988658 95.25859 4.653441 4.080673       8.396181 
1 1 1 -17 25 9  o 46.98585 5.524779 282.2890       61.09241 329.4457       90.81595 243.3095       82.56735 50.99332 7.361165 42.97837 8.240509 8.014950       11.04956 
1 1 1 -17 25 10 o 73.04764 4.066988 656.4165       69.93872 895.2682       105.8243 471.1843       93.19217 84.89725 5.152160 61.19802 6.294188 23.69923       8.133976 
1 1 1 -17 25 11 o 27.99293 7.043825 98.48394       60.23744 85.49616       89.22744 109.3602       81.65282 27.09516 10.12224 28.89069 9.798069 -1.795536      14.08765 
1 1 1 -17 25 12 o 71.16256 4.193832 649.3063       70.96561 777.4474       100.0666 519.6486       100.6571 78.65934 5.258193 63.66578 6.534853 14.99356       8.387664 
1 1 1 -17 25 13 o 24.06493 6.780659 58.85710       59.26393 68.15083       86.78257 50.73528       81.12672 24.91281 9.806836 23.21706 9.366714 1.695744       13.56132 
1 1 1 -17 25 14 o 22.34620 6.380950 -5.875488      63.97187 -131.4433      88.77289 129.7748       92.26809 15.16298 7.399631 29.52943 10.39767 -14.36645      12.76190 
1 1 1 -17 25 15 o 32.89570 7.522312 175.3699       73.74979 263.9544       106.3476 93.29997       102.3625 39.85098 10.77281 25.94041 10.50177 13.91057       15.04462 
1 1 1 -17 27 1  o 27.34766 6.940055 87.64845       58.28230 78.43875       88.80481 94.61671       77.24596 26.95941 10.09298 27.73591 9.528335 -0.7765007     13.88011 
1 1 1 -17 27 2  o 72.38908 3.824412 647.7261       66.33986 661.2290       101.4522 637.6395       87.68401 72.93435 5.749459 71.84380 5.044625 1.090546       7.648825 
1 1 1 -17 27 3  o 25.61839 6.730609 53.74329       57.49979 124.5104       91.13692 6.946205       74.11192 31.06816 10.35153 20.16861 8.605246 10.89955       13.46122 
1 1 1 -17 27 4  o 91.51366 3.410545 1034.593       75.20068 1026.851       111.2425 1041.108       102.0507 91.11058 5.046609 91.91675 4.589008 -0.8061676     6.821089 
1 1 1 -17 27 5  o 21.62071 6.511511 6.756795       59.58702 37.96535       91.61733 -16.12297      78.44524 24.02573 9.856037 19.21568 8.512206 4.810051       13.02302 
1 1 1 -17 27 6  o 47.48331 6.168194 304.9949       67.86531 389.6417       94.96813 216.6568       97.01675 55.36590 7.089787 39.60072 10.09561 15.76518       12.33639 
1 1 1 -17 27 7  o 73.65370 4.040615 682.2003       71.03880 664.6500       108.8306 695.2297       93.77116 72.60013 6.195999 74.70728 5.188050 -2.107147      8.081229 
1 1 1 -17 27 8  o 53.07481 5.162041 360.0641       65.56823 438.5918       97.01621 294.0345       88.96145 58.55608 6.848099 47.59355 7.725943 10.96253       10.32408 
1 1 1 -17 27 9  o 32.20626 7.018229 131.0396       67.59847 238.3985       98.70072 36.19110       92.77187 40.91424 10.04503 23.49828 9.804059 17.41596       14.03646 
1 1 1 -17 27 10 o 39.02673 6.564090 216.1736       65.55434 308.0081       92.84592 124.8833       92.57039 48.07978 7.981749 29.97368 10.42309 18.10610       13.12818 
1 1 1 -17 27 11 o 47.18204 5.939421 308.5175       66.08459 275.8661       92.83546 342.0592       94.09265 43.94436 9.033736 50.41972 7.713526 -6.475361      11.87884 
1 1 1 -17 27 12 o 27.37197 7.285010 104.2141       66.83578 136.4592       94.17533 71.49242       94.86864 29.87782 10.50608 24.86611 10.09493 5.011707       14.57002 
1 1 1 -17 27 13 o 20.21348 6.468632 -7.635089      69.54933 -57.23096      102.1656 35.19901       94.94599 18.45752 8.717875 21.96944 9.558841 -3.511927      12.93726 
1 1 1 -17 29 4  o 27.17874 7.950606 10.78675       98.59849 164.3070       135.3351 -162.8792      143.9411 33.99144 12.51041 20.36604 9.815206 13.62540       15.90121 
1 1 1 -17 29 5  o 76.74442 5.873699 789.8707       108.5418 862.2249       152.5912 715.7645       154.4277 80.73653 7.811910 72.75232 8.773563 7.984207       11.74740 
1 1 1 -17 29 6  f 54.20514 8.783765 458.7430       112.7420 486.6151       154.5128 427.0078       164.8735 56.83158 11.62940 51.57870 13.16720 5.252876       17.56753 
1 1 1 -17 29 7  o 46.34523 8.756497 336.5536       103.9932 221.6538       139.2134 481.6181       156.4236 37.00261 12.78689 55.68785 11.96664 -18.68524      17.51299 
1 1 1 -17 29 8  f 59.20996 8.831677 544.8502       120.5133 446.2820       153.2507 704.5807       195.0867 52.50014 12.28351 65.91978 12.69289 -13.41965      17.66335 
1 1 1 -17 29 9  o 28.94434 8.664935 97.37375       110.7026 183.2243       150.1368 -4.911362      163.8785 32.85492 12.90991 25.03377 11.56109 7.821150       17.32987 
1 1 1 -17 29 10 o 42.08941 9.289743 351.7965       116.0220 474.7174       158.4008 209.5181       170.4173 51.28576 12.80519 32.89306 13.46196 18.39270       18.57949 
1 1 1 -17 29 11 o 24.24957 8.083441 12.20823       123.0277 21.20167       167.0562 1.550268       181.8598 24.25666 11.35936 24.24249 11.50361 0.1416969E-01  16.16688 
1 1 1 -16 0  1  f 167.9759 2.607506 3418.797       149.6983 3418.797       149.6983 3418.797       149.6983 167.9759 3.687570 167.9759 3.687570 0.000000       0.000000 
1 1 1 -16 0  2  o 88.33997 1.990189 947.0046       60.01632 947.0046       60.01632 947.0046       60.01632 88.33997 2.814553 88.33997 2.814553 0.000000       0.000000 
1 1 1 -16 0  3  o 476.3423 6.011196 27499.11       979.0059 27499.11       979.0059 27499.11       979.0059 476.3423 8.501115 476.3423 8.501115 0.000000       0.000000 
1 1 1 -16 0  4  o 613.3055 7.632016 45602.39       1600.406 45602.39       1600.406 45602.39       1600.406 613.3055 10.79330 613.3055 10.79330 0.000000       0.000000 
1 1 1 -16 0  5  o 572.4319 7.143059 39713.23       1398.042 39713.23       1398.042 39713.23       1398.042 572.4319 10.10181 572.4319 10.10181 0.000000       0.000000 
1 1 1 -16 0  6  o 396.1719 5.075835 19012.24       687.5222 19012.24       687.5222 19012.24       687.5222 396.1719 7.178314 396.1719 7.178314 0.000000       0.000000 
1 1 1 -16 0  7  o 224.8654 3.168396 6124.793       243.5512 6124.793       243.5512 6124.793       243.5512 224.8654 4.480788 224.8654 4.480788 0.000000       0.000000 
1 1 1 -16 0  8  o 503.5638 6.335824 30721.31       1090.849 30721.31       1090.849 30721.31       1090.849 503.5638 8.960209 503.5638 8.960209 0.000000       0.000000 
1 1 1 -16 0  10 o 296.7512 3.965615 10668.37       402.3187 10668.37       402.3187 10668.37       402.3187 296.7512 5.608226 296.7512 5.608226 0.000000       0.000000 
1 1 1 -16 2  1  o 32.75587 2.527931 130.2675       17.35769 130.7035       20.06498 128.9709       34.60158 32.86787 2.523276 32.64386 4.381190 0.2240105      5.055863 
1 1 1 -16 2  2  o 99.91838 2.574022 1259.320       59.07103 1413.402       75.66936 1018.917       94.51778 108.0812 2.893794 91.75557 4.257737 16.32563       5.148045 
1 1 1 -16 2  3  f 107.7189 2.459963 1452.539       56.14977 1509.070       65.90185 1302.796       107.2569 111.6832 2.438976 103.7546 4.272828 7.928535       4.919925 
1 1 1 -16 2  4  f 556.1179 8.064279 37257.68       929.8546 37018.87       1066.751 38013.09       1897.298 552.8213 7.975834 559.4146 14.01843 -6.593262      16.12856 
1 1 1 -16 2  5  o 136.6469 2.676871 2202.778       75.37287 2153.577       85.88674 2367.638       157.2161 133.4189 2.660765 139.8750 4.645739 -6.456070      5.353743 
1 1 1 -16 2  6  o 813.5706 11.59886 80391.36       1976.729 80406.83       2282.935 80345.03       3951.353 814.5069 11.58501 812.6343 20.09779 1.872620       23.19771 
1 1 1 -16 2  7  o 826.8378 11.84989 82260.45       2024.009 81584.17       2317.107 84437.84       4157.685 820.5065 11.67244 833.1690 20.62605 -12.66248      23.69979 
1 1 1 -16 2  8  o 358.9913 5.336871 15779.71       407.8673 15980.63       476.4991 15229.03       788.8640 363.3862 5.419901 354.5963 9.195293 8.789886       10.67374 
1 1 1 -16 2  9  o 842.9219 12.10831 85673.77       2109.177 85006.05       2415.515 87816.77       4327.400 837.2075 11.92544 848.6363 21.07673 -11.42877      24.21662 
1 1 1 -16 2  10 o 462.2913 5.860819 25900.71       655.4878 25811.99       923.0162 25990.98       931.0353 461.4949 8.266850 463.0877 8.309992 -1.592804      11.72164 
1 1 1 -16 2  11 o 287.5990 3.882672 10014.08       270.0183 9884.135       374.8776 10154.18       389.2552 285.6656 5.424121 289.5324 5.556930 -3.866882      7.765343 
1 1 1 -16 2  12 o 212.9916 4.343098 5493.691       223.8022 5493.691       223.8022 0.000000       0.000000 212.9916 4.343098 ?        ?        ?              ?        
1 1 1 -16 4  1  o 370.9843 4.788866 16664.05       429.7969 16543.58       603.7408 16787.84       611.9923 369.6260 6.751273 372.3424 6.793617 -2.716400      9.577731 
1 1 1 -16 4  2  o 291.9227 5.510995 10315.56       389.2245 0.000000       0.000000 10315.56       389.2245 ?        ?        291.9227 5.510995 ?              ?        
1 1 1 -16 4  3  o 117.5583 2.214280 1670.886       62.95387 1626.003       87.58368 1718.862       90.55089 115.9262 3.122764 119.1903 3.140142 -3.264114      4.428561 
1 1 1 -16 4  4  o 535.8010 6.708209 34778.04       869.4821 34463.85       1218.358 35104.13       1241.228 533.3392 9.442110 538.2627 9.531361 -4.923462      13.41642 
1 1 1 -16 4  5  o 756.0027 9.339764 69316.88       1708.240 69630.82       2426.977 69008.64       2404.808 757.6945 13.23943 754.3110 13.17734 3.383545       18.67953 
1 1 1 -16 4  6  o 995.4462 15.02867 120517.2       3408.349 120395.9       4169.716 120761.5       5916.628 995.6779 17.30953 995.2145 24.57283 0.4633789      30.05734 
1 1 1 -16 4  7  o 560.4303 7.017351 38012.91       950.8882 38913.43       1374.316 37185.90       1317.030 566.7849 10.02227 554.0758 9.824813 12.70905       14.03470 
1 1 1 -16 4  8  o 334.4496 4.372776 13539.18       353.8263 13527.14       500.1277 13551.25       500.6445 334.3007 6.183599 334.5985 6.184479 -0.2978210     8.745552 
1 1 1 -16 4  9  o 410.0842 5.244367 20362.83       520.2669 20189.64       729.6480 20541.96       742.0456 408.3123 7.386158 411.8560 7.447028 -3.543610      10.48873 
1 1 1 -16 4  10 o 138.1017 3.386683 2307.986       113.1556 2307.986       113.1556 0.000000       0.000000 138.1017 3.386683 ?        ?        ?              ?        
1 1 1 -16 4  11 o 57.82787 2.952386 404.6942       41.30596 0.000000       0.000000 404.6942       41.30596 ?        ?        57.82787 2.952386 ?              ?        
1 1 1 -16 4  12 o 244.5006 3.391397 7241.287       200.6071 7195.320       282.2819 7288.190       285.1422 243.7174 4.787339 245.2839 4.804964 -1.566544      6.782794 
1 1 1 -16 4  13 o 180.4132 3.876168 3944.026       169.1249 4019.036       243.2945 3873.885       235.2649 182.0692 5.523236 178.7572 5.439907 3.312027       7.752337 
1 1 1 -16 4  14 o 220.3179 4.439896 5881.774       236.6601 5881.774       236.6601 0.000000       0.000000 220.3179 4.439896 ?        ?        ?              ?        
1 1 1 -16 6  1  o 461.7274 5.847919 25814.52       653.1757 26062.86       933.0281 25575.83       914.7042 463.9021 8.313159 459.5527 8.227030 4.349426       11.69584 
1 1 1 -16 6  2  o 252.2046 3.482543 7687.886       212.3222 7928.423       307.9821 7470.022       293.1078 255.9585 4.973403 248.4508 4.876235 7.507660       6.965085 
1 1 1 -16 6  3  o 718.9827 10.96871 62194.70       1775.056 61237.74       2139.698 64306.96       3178.913 710.6603 12.44481 727.3051 18.06591 -16.64478      21.93742 
1 1 1 -16 6  4  o 829.1887 12.46056 84282.69       2393.449 86235.73       3000.935 80868.53       3967.727 843.0496 14.71300 815.3278 20.11441 27.72186       24.92111 
1 1 1 -16 6  5  o 131.9261 2.386277 2104.068       76.13504 2038.983       105.9680 2173.513       109.4593 129.8190 3.373915 134.0333 3.375495 -4.214279      4.772554 
1 1 1 -16 6  6  o 214.9608 3.106058 5582.565       161.3766 5405.384       222.2543 5780.138       234.6957 211.3595 4.346365 218.5622 4.438412 -7.202789      6.212117 
1 1 1 -16 6  7  o 491.4817 6.204087 29242.36       737.4690 29713.33       1059.510 28799.74       1027.121 495.3144 8.841418 487.6490 8.705867 7.665314       12.40817 
1 1 1 -16 6  8  o 323.2279 4.256374 12646.40       332.8444 12596.16       468.8338 12697.45       472.6152 322.5811 6.007277 323.8747 6.031542 -1.293579      8.512748 
1 1 1 -16 6  9  o 375.9291 4.854067 17114.44       441.4169 16940.99       617.8477 17295.28       630.8716 373.9865 6.828466 377.8717 6.900720 -3.885162      9.708135 
1 1 1 -16 6  10 o 372.5344 4.816832 16820.33       434.1363 16866.93       615.5786 16774.22       612.3571 373.0468 6.820525 372.0220 6.803523 1.024872       9.633664 
1 1 1 -16 6  11 o 188.3457 2.837641 4293.927       129.2828 4239.068       180.8012 4351.325       184.9360 187.1159 3.993819 189.5756 4.032149 -2.459747      5.675281 
1 1 1 -16 6  12 o 142.4303 3.458501 2455.987       119.1770 0.000000       0.000000 2455.987       119.1770 ?        ?        142.4303 3.458501 ?              ?        
1 1 1 -16 6  13 o 106.0237 2.202018 1360.724       56.48096 1380.313       80.28321 1341.528       79.47521 106.7793 3.107674 105.2681 3.120561 1.511192       4.404036 
1 1 1 -16 6  14 o 304.1903 4.055300 11227.25       298.4405 11163.14       420.0865 11292.57       424.0589 303.3153 5.724559 305.0653 5.745543 -1.750000      8.110600 
1 1 1 -16 6  15 o 285.8637 5.465865 9945.058       377.8149 10165.38       545.4235 9741.820       523.8512 288.8867 7.803762 282.8408 7.655325 6.045898       10.93173 
1 1 1 -16 6  16 o 164.8931 3.677777 3302.127       146.6807 3369.423       210.4485 3238.549       204.5528 166.5230 5.223594 163.2632 5.178632 3.259827       7.355553 
1 1 1 -16 6  17 o 122.3364 3.137724 1793.986       92.22695 1580.012       122.4070 2074.955       140.2669 114.0148 4.437541 130.6579 4.437283 -16.64306      6.275448 
1 1 1 -16 8  1  o 518.6968 6.518311 32582.29       817.9955 32577.69       1156.611 32586.89       1157.030 518.6602 9.217262 518.7333 9.219306 -0.7312012E-01 13.03662 
1 1 1 -16 8  2  o 98.21601 3.238646 1167.068       76.95699 1167.068       76.95699 0.000000       0.000000 98.21601 3.238646 ?        ?        ?              ?        
1 1 1 -16 8  3  o 119.7159 2.371312 1729.326       68.59010 1631.896       94.22968 1839.124       100.0322 116.1391 3.353568 123.2927 3.353514 -7.153679      4.742624 
1 1 1 -16 8  4  o 593.5906 7.408187 42667.04       1063.547 41987.93       1481.118 43389.95       1528.149 588.7230 10.39863 598.4582 10.55430 -9.735229      14.81637 
1 1 1 -16 8  5  o 181.1502 2.816931 3968.134       123.4160 3878.046       171.8385 4064.111       177.3658 179.0281 3.967317 183.2723 4.000100 -4.244141      5.633862 
1 1 1 -16 8  6  o 259.9117 3.577694 8170.355       224.8824 8011.513       312.6554 8340.614       323.6954 257.2967 5.022609 262.5267 5.096368 -5.229980      7.155387 
1 1 1 -16 8  7  o 416.2878 5.321242 20985.49       535.9304 21011.20       758.7005 20959.89       757.1420 416.5420 7.528513 416.0335 7.522231 0.5084839      10.64248 
1 1 1 -16 8  8  o 123.7345 2.402549 1851.984       71.90437 1825.053       100.3263 1880.428       103.1070 122.8101 3.376591 124.6588 3.418714 -1.848701      4.805098 
1 1 1 -16 8  9  o 178.8559 2.772593 3860.584       119.7627 3684.752       163.5197 4064.042       175.8969 174.4773 3.873727 183.2346 3.967788 -8.757339      5.545187 
1 1 1 -16 8  10 o 388.1202 5.006599 18268.99       470.1076 18197.49       661.6844 18341.87       668.0260 387.3562 7.060543 388.8842 7.100203 -1.527924      10.01320 
1 1 1 -16 8  11 o 109.5281 3.294924 1452.188       87.31188 0.000000       0.000000 1452.188       87.31188 ?        ?        109.5281 3.294924 ?              ?        
1 1 1 -16 8  12 o 42.88872 2.939299 222.9280       30.47574 213.0905       43.13742 232.7308       43.06110 41.94228 4.251085 43.83516 4.060319 -1.892883      5.878598 
1 1 1 -16 8  13 o 86.78091 2.276476 911.7549       47.79171 916.4139       68.10316 907.2344       67.08375 86.99892 3.235572 86.56289 3.203194 0.4360352      4.552953 
1 1 1 -16 8  14 o 270.6734 3.699545 8879.329       242.1146 9104.060       350.0636 8673.249       335.2219 273.9464 5.281764 267.4004 5.181649 6.546021       7.399089 
1 1 1 -16 8  15 o 230.4675 3.272863 6436.804       182.3671 6625.364       263.9051 6264.465       252.2983 233.6890 4.667746 227.2461 4.588974 6.442902       6.545726 
1 1 1 -16 8  16 o 124.7861 3.271909 1887.684       98.78015 0.000000       0.000000 1887.684       98.78015 ?        ?        124.7861 3.271909 ?              ?        
1 1 1 -16 8  17 o 190.9260 5.741542 4453.302       265.2137 0.000000       0.000000 4453.302       265.2137 ?        ?        190.9260 5.741542 ?              ?        
1 1 1 -16 8  18 o 63.31096 3.074153 490.1994       46.88382 436.1689       66.06059 545.0327       66.54956 59.75935 4.569138 66.86257 4.113958 -7.103218      6.148306 
1 1 1 -16 8  19 o 105.2029 3.036211 1339.592       76.83372 1178.584       102.8267 1543.129       115.6122 98.11469 4.331811 112.2911 4.255551 -14.17645      6.072422 
1 1 1 -16 10 1  o 434.7773 6.795393 22990.89       678.2771 23194.08       838.2623 22605.59       1154.305 437.6687 7.916480 431.8859 11.04712 5.782776       13.59079 
1 1 1 -16 10 2  o 458.9023 5.825537 25388.00       644.5453 26813.59       960.9510 24222.13       869.0164 470.5490 8.441004 447.2558 8.031002 23.29318       11.65107 
1 1 1 -16 10 3  o 249.7549 4.262203 7624.459       245.9213 7294.468       409.9872 7809.912       307.3517 245.4699 6.903507 254.0398 5.000709 -8.569855      8.524405 
1 1 1 -16 10 4  o 186.7407 2.900794 4218.060       131.0304 4300.980       187.5864 4139.053       183.1048 188.5321 4.112573 184.9493 4.092085 3.582779       5.801587 
1 1 1 -16 10 5  o 393.9161 5.074340 18743.14       482.7117 19510.34       709.1141 18080.63       658.9568 401.4031 7.301855 386.4291 7.048307 14.97397       10.14868 
1 1 1 -16 10 6  o 412.8670 5.296067 20637.92       528.8370 21007.96       759.8849 20290.36       736.4429 416.4504 7.541924 409.2836 7.437250 7.166779       10.59213 
1 1 1 -16 10 7  o 432.6309 5.517712 22684.58       577.5027 22541.91       811.5045 22830.98       822.0214 431.2555 7.777750 434.0063 7.828614 -2.750763      11.03542 
1 1 1 -16 10 8  o 384.5916 6.053799 18135.24       540.0093 18634.39       678.8962 17275.43       891.0228 392.0529 7.157420 377.1303 9.765513 14.92252       12.10760 
1 1 1 -16 10 9  o 154.4986 3.664942 2889.552       136.9916 2889.552       136.9916 0.000000       0.000000 154.4986 3.664942 ?        ?        ?              ?        
1 1 1 -16 10 10 o 211.9910 3.103621 5442.175       159.1570 5397.456       222.8544 5488.728       227.3779 211.1039 4.363376 212.8782 4.414837 -1.774353      6.207241 
1 1 1 -16 10 11 o 190.1919 2.913112 4381.181       134.0414 4369.813       188.7521 4392.747       190.3849 189.9437 4.107378 190.4400 4.132110 -0.4963684     5.826224 
1 1 1 -16 10 12 f 227.4753 3.276336 6270.478       180.3065 6316.146       256.2247 6225.679       253.7767 228.2952 4.638974 226.6553 4.627896 1.639862       6.552671 
1 1 1 -16 10 13 o 156.0158 2.652468 2946.785       100.0894 3023.442       143.7018 2874.560       139.4877 157.9848 3.759628 154.0468 3.742664 3.937927       5.304935 
1 1 1 -16 10 14 o 150.2692 2.611317 2732.780       94.85918 2815.916       137.5741 2657.431       130.9716 152.4427 3.730162 148.0957 3.655379 4.347031       5.222633 
1 1 1 -16 10 15 o 86.94956 2.385362 916.3364       50.17648 919.5637       71.38745 913.1853       70.54065 87.10014 3.387667 86.79899 3.359096 0.3011475      4.770725 
1 1 1 -16 10 16 f 37.56339 3.380130 170.6840       30.45340 178.9032       46.66059 164.5850       40.19441 38.33510 5.030966 36.79167 4.515583 1.543434       6.760260 
1 1 1 -16 10 17 o 100.7178 2.320916 1231.253       56.50161 1254.345       81.99274 1210.371       77.96967 101.6095 3.335330 99.82609 3.228340 1.783394       4.641832 
1 1 1 -16 10 18 o 35.54734 3.116927 152.6308       26.58422 183.2872       39.91382 128.1885       35.63971 38.72896 4.259760 32.36573 4.551415 6.363235       6.233854 
1 1 1 -16 10 19 o 42.61209 4.298512 226.2939       44.15043 248.1856       62.43814 204.4021       62.43814 44.73556 5.768924 40.48863 6.374037 4.246925       8.597025 
1 1 1 -16 10 20 o 48.73708 3.967819 294.9050       46.60725 275.6693       62.65296 318.7389       69.74043 46.99677 5.510250 50.47739 5.710649 -3.480618      7.935639 
1 1 1 -16 12 1  o 335.8978 4.440092 13602.82       359.7008 12964.32       485.9501 14376.60       534.9620 327.2237 6.138250 344.5720 6.417129 -17.34824      8.880183 
1 1 1 -16 12 2  f 508.2138 6.420434 31272.57       788.8083 30507.12       1089.660 32115.33       1143.364 501.6984 8.977304 514.7292 9.181279 -13.03085      12.84087 
1 1 1 -16 12 3  o 608.0032 7.601476 44825.74       1117.664 43980.56       1552.678 45734.62       1610.119 602.0743 10.65930 613.9319 10.84015 -11.85760      15.20295 
1 1 1 -16 12 4  o 167.1725 2.796315 3374.370       112.9645 3562.572       164.5483 3206.602       155.3593 171.5709 3.964127 162.7741 3.945024 8.796799       5.592630 
1 1 1 -16 12 5  o 312.4998 4.174792 11802.30       315.1579 12277.14       461.4144 11387.05       431.4901 318.3733 5.990350 306.6263 5.816464 11.74701       8.349584 
1 1 1 -16 12 6  o 166.9921 2.750748 3371.807       111.0710 3259.639       153.9809 3493.476       160.3701 164.1004 3.878419 169.8839 3.901836 -5.783463      5.501496 
1 1 1 -16 12 7  f 107.8647 3.435761 1408.275       89.66117 0.000000       0.000000 1408.275       89.66117 ?        ?        107.8647 3.435761 ?              ?        
1 1 1 -16 12 8  o 221.0910 3.215934 5920.193       172.0204 5910.718       243.1551 5929.687       243.3924 220.9138 4.549444 221.2682 4.546589 -0.3543701     6.431867 
1 1 1 -16 12 9  o 71.58191 3.057522 632.5289       51.06575 671.0254       65.34983 572.1594       81.83563 74.44601 3.628279 68.71781 4.922331 5.728203       6.115044 
1 1 1 -16 12 10 o 201.7856 3.035623 4918.106       147.9349 5170.556       217.2701 4699.919       201.9880 206.5955 4.346871 196.9757 4.238482 9.619766       6.071246 
1 1 1 -16 12 11 o 211.0055 3.140539 5390.589       160.2170 5509.110       231.7344 5282.054       221.7570 213.2216 4.492179 208.7895 4.390018 4.432114       6.281077 
1 1 1 -16 12 12 o 164.7122 2.753691 3286.627       109.7325 3261.922       154.6527 3311.675       155.7231 164.0888 3.895615 165.3357 3.892998 -1.246826      5.507382 
1 1 1 -16 12 13 o 246.7412 3.489292 7381.815       208.2144 7533.084       299.6199 7240.537       289.5572 249.1793 4.970002 244.3031 4.898952 4.876175       6.978585 
1 1 1 -16 12 14 o 137.7730 3.624788 2301.124       120.8229 0.000000       0.000000 2301.124       120.8229 ?        ?        137.7730 3.624788 ?              ?        
1 1 1 -16 12 15 o 152.9890 2.650253 2823.125       97.77000 3063.958       145.6611 2625.657       131.8967 158.8850 3.789296 147.0929 3.706293 11.79207       5.300507 
1 1 1 -16 12 16 o 89.82552 2.548609 979.8677       55.08819 986.4003       82.41215 974.5910       74.06721 90.07550 3.781658 89.57554 3.417703 0.4999619      5.097218 
1 1 1 -16 12 17 o 53.41114 3.075207 347.2200       39.32010 356.3888       60.47218 340.5042       51.75414 53.98616 4.629892 52.83612 4.048666 1.150043       6.150414 
1 1 1 -16 12 18 o 34.31509 4.295556 140.8447       34.08801 200.6006       55.07958 103.7482       43.39765 40.28593 5.651125 28.34423 6.470856 11.94170       8.591111 
1 1 1 -16 12 19 o 27.81004 5.233876 103.7580       34.25211 89.13742       62.83543 109.9391       40.85580 26.44838 8.584923 29.17169 5.989402 -2.723305      10.46775 
1 1 1 -16 12 20 o 20.62712 4.519821 49.21970       24.76569 77.19678       40.79570 32.89214       31.16549 24.19316 6.726396 17.06109 6.039098 7.132074       9.039641 
1 1 1 -16 14 1  o 248.6048 3.524838 7475.460       211.8383 7257.610       292.5254 7715.686       307.1807 244.8037 4.939049 252.4058 5.030281 -7.602142      7.049676 
1 1 1 -16 14 2  o 384.3879 4.985217 17914.62       463.6133 17935.32       656.0673 17893.97       655.2299 384.6097 7.050597 384.1662 7.049726 0.4434509      9.970434 
1 1 1 -16 14 3  o 212.4630 3.175947 5465.321       163.2441 5529.271       232.1859 5402.808       229.5607 213.6920 4.491022 211.2341 4.491911 2.457901       6.351893 
1 1 1 -16 14 4  o 246.0826 3.493692 7328.227       207.8900 7148.794       288.2666 7522.683       300.0917 242.9488 4.904302 249.2165 4.977083 -6.267715      6.987384 
1 1 1 -16 14 5  o 206.9348 3.124584 5185.463       156.4240 5205.681       222.5827 5165.734       219.8759 207.3324 4.437334 206.5372 4.400247 0.7951660      6.249168 
1 1 1 -16 14 6  o 97.26555 2.564508 1145.099       60.34154 1162.002       86.12481 1128.803       84.56814 97.97025 3.633555 96.56084 3.619957 1.409409       5.129016 
1 1 1 -16 14 7  o 309.8875 4.151334 11632.11       311.0223 11935.76       450.1737 11354.78       430.2093 313.7459 5.930616 306.0292 5.810515 7.716705       8.302668 
1 1 1 -16 14 8  o 302.1615 4.066034 11071.38       297.2410 11033.67       419.3093 11109.48       421.4233 301.6449 5.745611 302.6781 5.754866 -1.033234      8.132068 
1 1 1 -16 14 9  o 244.4933 3.458477 7239.369       204.4657 7415.587       295.1243 7076.714       283.5397 247.3483 4.931668 241.6384 4.850042 5.709885       6.916955 
1 1 1 -16 14 10 o 104.5895 2.612400 1322.690       66.04788 1381.990       95.81068 1268.992       91.17340 106.8191 3.707341 102.3599 3.681597 4.459282       5.224800 
1 1 1 -16 14 11 o 84.35970 2.743290 855.1165       55.75294 946.3427       83.57933 781.9779       74.83631 88.37917 3.908829 80.34023 3.850145 8.038948       5.486579 
1 1 1 -16 14 12 o 236.5931 3.414250 6789.014       195.3992 6896.647       279.5718 6686.223       273.2105 238.4232 4.846660 234.7629 4.810228 3.660339       6.828499 
1 1 1 -16 14 13 o 138.9261 2.684785 2333.659       90.10603 2498.735       131.4648 2187.405       123.7437 143.5471 3.785408 134.3052 3.808275 9.241974       5.369569 
1 1 1 -16 14 14 o 58.98159 3.201039 416.6256       45.33438 479.1566       69.38033 370.0359       59.88714 62.78440 4.567539 55.17877 4.486000 7.605633       6.402078 
1 1 1 -16 14 15 o 159.8259 2.755379 3085.326       106.1483 3353.218       158.6860 2868.385       142.8003 166.0515 3.949967 153.6004 3.842683 12.45113       5.510758 
1 1 1 -16 14 16 o 18.72945 5.372742 17.05279       36.91127 32.66334       60.80777 7.944801       46.44738 20.83666 8.206882 16.62224 6.936318 4.214418       10.74548 
1 1 1 -16 14 17 o 161.3371 3.375272 3260.531       127.8241 3521.053       166.2645 2883.997       199.8844 169.7087 4.049422 152.9655 5.401114 16.74327       6.750545 
1 1 1 -16 14 18 o 32.95712 5.141497 144.8891       39.36251 120.6258       65.33577 158.7137       49.31747 30.19054 8.554529 35.72370 5.706135 -5.533161      10.28299 
1 1 1 -16 14 19 o 33.93444 4.855321 136.6648       38.15041 207.9444       65.42688 99.94407       46.96011 40.41895 6.690659 27.44993 7.037872 12.96902       9.710642 
1 1 1 -16 14 20 o 82.65224 3.270793 871.7888       63.15095 934.3459       81.43099 777.3944       100.0285 86.85413 3.875225 78.45034 5.270196 8.403793       6.541585 
1 1 1 -16 16 1  o 139.0217 2.696014 2339.770       90.66361 2279.570       127.3660 2401.607       129.0867 137.2084 3.836812 140.8349 3.788515 -3.626541      5.392028 
1 1 1 -16 16 2  o 282.0966 3.877517 9641.333       264.5555 9484.754       368.5560 9807.771       379.9816 279.7388 5.445635 284.4545 5.521377 -4.715759      7.755034 
1 1 1 -16 16 3  o 197.6844 3.072727 4731.667       146.9297 4650.753       205.2614 4816.695       210.4142 195.9527 4.329660 199.4161 4.361267 -3.463364      6.145454 
1 1 1 -16 16 4  o 173.5847 2.884156 3649.112       121.1222 3680.546       171.7888 3618.039       170.8009 174.3283 4.073096 172.8410 4.084520 1.487244       5.768311 
1 1 1 -16 16 5  o 142.3764 2.709078 2453.388       93.29029 2520.612       133.8363 2389.857       130.1075 144.2722 3.834325 140.4806 3.828102 3.791595       5.418156 
1 1 1 -16 16 6  o 153.6548 2.753405 2859.176       102.3530 2887.129       145.5332 2831.817       143.9774 154.3977 3.896001 152.9118 3.891804 1.485931       5.506810 
1 1 1 -16 16 7  o 305.8559 4.129166 11346.40       305.5082 11463.32       436.4020 11234.04       427.8333 307.3965 5.867937 304.3152 5.810969 3.081329       8.258332 
1 1 1 -16 16 8  o 223.1118 4.672396 6033.431       252.2113 0.000000       0.000000 6033.431       252.2113 ?        ?        223.1118 4.672396 ?              ?        
1 1 1 -16 16 9  o 115.0956 2.698263 1604.280       75.09676 1533.467       105.2553 1677.701       107.1765 112.5072 3.866886 117.6839 3.764263 -5.176727      5.396526 
1 1 1 -16 16 10 o 60.88084 3.466067 450.0609       50.83760 398.2265       71.16856 504.0677       72.64462 57.28967 5.134635 64.47202 4.657254 -7.182346      6.932135 
1 1 1 -16 16 12 o 139.7095 2.743057 2350.631       92.37897 2609.694       137.5659 2137.859       124.6711 146.6694 3.876759 132.7495 3.881778 13.91998       5.486115 
1 1 1 -16 16 13 o 24.57206 5.797662 70.42973       40.84908 53.36555       61.68955 83.75436       54.51253 23.10030 8.454790 26.04383 7.935243 -2.943527      11.59532 
1 1 1 -16 16 14 o 89.23633 2.862931 964.7368       61.44117 1006.600       92.85928 932.1378       81.94286 90.92777 4.221107 87.54489 3.868816 3.382881       5.725861 
1 1 1 -16 16 15 o 137.9306 3.761639 2317.637       125.5279 0.000000       0.000000 2317.637       125.5279 ?        ?        137.9306 3.761639 ?              ?        
1 1 1 -16 16 16 o 118.6283 3.680212 1717.334       105.6242 0.000000       0.000000 1717.334       105.6242 ?        ?        118.6283 3.680212 ?              ?        
1 1 1 -16 16 17 o 42.94305 4.690454 226.9781       46.94327 248.0417       78.99458 215.4786       58.36730 44.27077 7.375269 41.61534 5.797142 2.655434       9.380909 
1 1 1 -16 16 18 o 71.92058 3.948027 636.7531       68.69665 0.000000       0.000000 636.7531       68.69665 ?        ?        71.92058 3.948027 ?              ?        
1 1 1 -16 16 19 o 42.97809 5.504989 256.7707       52.18978 216.6437       87.91355 278.6082       64.85425 39.11019 9.406165 46.84599 5.722209 -7.735802      11.00998 
1 1 1 -16 16 20 o 40.15688 5.788753 181.9166       73.45338 518.8578       114.6786 -52.48067      95.64923 61.73645 7.677826 18.57730 8.665425 43.15915       11.57751 
1 1 1 -16 18 1  o 237.9906 3.472883 6865.332       199.9610 6843.542       281.8318 6887.419       283.7532 237.6112 4.902535 238.3700 4.920247 -0.7587738     6.945767 
1 1 1 -16 18 2  o 394.8325 5.149942 18783.29       488.7301 20292.11       744.2350 17639.30       648.0436 408.5961 7.528590 381.0689 7.029079 27.52719       10.29988 
1 1 1 -16 18 3  o 430.5221 5.540868 22524.00       576.8317 22099.42       800.3307 22982.98       832.1242 426.3247 7.759374 434.7195 7.911826 -8.394775      11.08174 
1 1 1 -16 18 4  o 258.0551 3.658417 8062.105       228.1867 8350.242       331.7206 7803.294       314.3862 262.4191 5.224860 253.6910 5.122196 8.728119       7.316833 
1 1 1 -16 18 5  o 143.8340 2.817120 2473.277       97.37670 2164.257       129.6346 2873.416       147.5143 133.6582 4.008882 154.0098 3.958982 -20.35161      5.634241 
1 1 1 -16 18 6  o 174.2655 2.953130 3679.365       124.4992 3732.218       177.2290 3627.874       174.9306 175.5010 4.174003 173.0300 4.178708 2.471039       5.906260 
1 1 1 -16 18 7  f 185.6017 3.030551 4175.101       136.0723 4169.973       191.1517 4180.369       193.7452 185.4884 4.259504 185.7151 4.312028 -0.2266693     6.061102 
1 1 1 -16 18 8  o 71.73150 3.255916 624.8987       56.36245 572.4689       79.55067 677.7467       79.86737 68.69870 4.786224 74.76430 4.415429 -6.065598      6.511831 
1 1 1 -16 18 9  o 71.81509 3.515643 639.0444       59.38117 802.6283       83.45169 471.2705       84.51370 81.35222 4.239976 62.27797 5.609063 19.07425       7.031286 
1 1 1 -16 18 10 o 222.2098 3.321620 5953.984       177.8105 6466.034       266.9844 5545.826       238.3660 230.7176 4.783028 213.7020 4.610344 17.01555       6.643239 
1 1 1 -16 18 11 o 57.36492 3.855318 398.4740       53.33747 430.6403       79.37297 371.9893       72.02273 59.45900 5.517632 55.27084 5.386060 4.188160       7.710635 
1 1 1 -16 18 12 o 139.4098 2.769232 2360.572       93.36615 2413.102       134.3287 2311.476       129.8638 140.9053 3.940390 137.9143 3.892033 2.991028       5.538465 
1 1 1 -16 18 13 o 102.9140 2.916619 1274.749       72.18177 1462.956       109.1342 1128.393       96.23854 109.5869 4.116230 96.24113 4.133196 13.34578       5.833238 
1 1 1 -16 18 14 o 81.84422 3.176976 808.4901       62.20472 889.1016       97.01734 752.2167       81.05927 85.22011 4.705491 78.46832 4.269785 6.751785       6.353952 
1 1 1 -16 18 15 o 52.84372 4.367762 340.5405       53.67439 490.4252       81.77046 227.0699       71.14748 63.05303 5.360288 42.63441 6.897584 20.41862       8.735523 
1 1 1 -16 18 16 o 100.8561 2.950159 1212.023       70.67461 1452.151       114.0091 1062.155       90.06826 108.6646 4.336599 93.04766 4.000958 15.61692       5.900319 
1 1 1 -16 18 17 o 61.80175 3.939074 471.9003       57.87007 514.0463       92.22520 444.5283       74.32319 63.88869 5.966550 59.71480 5.144463 4.173889       7.878148 
1 1 1 -16 18 18 o 26.01086 6.463576 80.24606       48.93736 119.2607       82.49498 59.06169       60.78848 29.41070 9.849083 22.61101 8.372982 6.799688       12.92715 
1 1 1 -16 18 19 o 45.60118 5.287317 269.6471       55.74852 361.5919       91.33212 215.0476       70.38081 51.87235 7.277551 39.33001 7.672037 12.54234       10.57463 
1 1 1 -16 18 20 f 24.70664 7.536592 67.00847       83.87070 18.52469       129.4404 102.0940       110.1122 23.04424 10.50469 26.36903 10.80983 -3.324793      15.07318 
1 1 1 -16 20 1  o 170.6867 2.998296 3530.536       123.8019 3588.260       176.6741 3474.847       173.5326 172.0568 4.244229 169.3165 4.236229 2.740311       5.996592 
1 1 1 -16 20 2  o 219.8571 3.343401 5857.501       177.7613 5719.677       246.9142 6005.799       256.1234 217.1776 4.699254 222.5365 4.757137 -5.358994      6.686803 
1 1 1 -16 20 3  o 43.21191 5.224258 233.1442       52.26163 301.5197       75.39419 169.9028       72.50845 49.81383 6.255840 36.60999 8.368749 13.20384       10.44852 
1 1 1 -16 20 4  o 81.54254 3.266261 807.1248       64.37764 774.6529       91.62093 838.7911       90.47731 79.91568 4.738712 83.16940 4.496492 -3.253723      6.532521 
1 1 1 -16 20 5  o 182.8187 3.057862 4046.393       135.1425 4234.277       195.7910 3875.425       186.7688 186.8649 4.330747 178.7726 4.318183 8.092346       6.115724 
1 1 1 -16 20 6  o 193.3184 3.119090 4532.512       145.8647 4464.790       204.3559 4602.851       208.2675 191.8476 4.402794 194.7892 4.419310 -2.941544      6.238181 
1 1 1 -16 20 7  o 264.1861 4.564030 8565.042       278.7620 8721.794       348.2668 8285.545       465.0443 267.8590 5.374073 260.5132 7.378403 7.345856       9.128060 
1 1 1 -16 20 8  o 77.61054 3.303427 731.0524       61.82244 652.3399       85.84532 815.8582       89.10607 73.26259 4.843196 81.95850 4.493772 -8.695908      6.606855 
1 1 1 -16 20 9  o 141.0331 2.824018 2414.014       96.31516 2453.784       138.7148 2376.992       133.8365 142.1488 4.033457 139.9173 3.953674 2.231430       5.648036 
1 1 1 -16 20 10 o 36.25637 6.180874 170.1278       53.60616 153.1128       79.08728 184.5886       72.91005 34.53412 9.271010 37.97862 8.176868 -3.444496      12.36175 
1 1 1 -16 20 11 o 52.36034 4.409553 334.8537       55.68405 373.1948       82.05914 302.1301       75.80986 55.13353 6.151894 49.58716 6.319085 5.546371       8.819106 
1 1 1 -16 20 12 o 52.78318 4.462863 344.0469       56.57969 341.1093       85.04781 346.3793       75.78277 52.51651 6.693679 53.04985 5.904512 -0.5333405     8.925727 
1 1 1 -16 20 13 o 135.9012 2.949038 2234.045       96.32112 2469.703       146.9195 2056.400       127.5601 142.0828 4.274010 129.7196 4.064497 12.36320       5.898075 
1 1 1 -16 20 14 o 41.57100 5.685358 223.9039       55.56999 332.8162       81.93061 131.1147       75.62344 51.60801 6.561858 31.53400 9.286291 20.07400       11.37072 
1 1 1 -16 20 15 f 146.0248 2.915673 2600.497       102.5769 2884.641       153.6440 2372.000       137.7804 153.1488 4.146673 138.9009 4.099965 14.24791       5.831347 
1 1 1 -16 20 16 o 90.09965 3.213731 987.8467       69.33876 1152.810       107.7913 871.4009       90.56310 96.35389 4.623938 83.84541 4.464468 12.50848       6.427463 
1 1 1 -16 20 17 o 24.36416 6.190460 24.31110       56.25275 160.0733       86.68046 -74.46773      73.93733 33.28001 9.976536 15.44830 7.331842 17.83171       12.38092 
1 1 1 -16 20 18 o 42.24169 6.425316 257.7547       63.65440 309.7549       95.35838 215.9606       85.48981 46.35434 8.825237 38.12904 9.340982 8.225300       12.85063 
1 1 1 -16 20 19 o 23.91700 7.544655 45.53347       89.41713 14.88400       131.2395 72.08804       122.1582 22.89427 10.48970 24.93972 10.84682 -2.045454      15.08931 
1 1 1 -16 22 1  o 197.6745 3.178470 4744.914       152.0031 4798.966       216.0815 4691.964       213.8654 198.7892 4.492856 196.5598 4.497213 2.229431       6.356939 
1 1 1 -16 22 2  o 117.1090 2.902810 1663.584       82.21262 1730.873       117.6405 1599.350       114.9390 119.4255 4.071528 114.7924 4.138585 4.633118       5.805620 
1 1 1 -16 22 3  f 197.9937 3.184188 4758.464       152.4774 4889.465       219.0840 4635.398       212.3452 200.6329 4.513423 195.3544 4.492798 5.278519       6.368377 
1 1 1 -16 22 4  o 135.3143 2.879932 2221.755       94.26106 2271.610       135.0129 2174.345       131.6609 136.7938 4.079496 133.8347 4.066171 2.959106       5.759864 
1 1 1 -16 22 5  o 138.3971 2.863827 2325.396       95.87755 2380.117       136.4633 2272.052       134.7358 140.0074 4.028677 136.7867 4.071336 3.220734       5.727654 
1 1 1 -16 22 6  o 38.96064 5.881288 193.0603       53.69965 209.2031       78.50526 178.8658       73.61587 40.51800 8.287888 37.40327 8.346803 3.114723       11.76258 
1 1 1 -16 22 7  f 144.7827 2.924163 2542.671       102.1764 2633.219       150.8509 2465.915       138.8878 147.1399 4.237555 142.4255 4.030639 4.714386       5.848327 
1 1 1 -16 22 8  o 210.7025 3.279985 5409.990       167.1204 5481.624       240.7679 5343.389       232.1553 212.0285 4.693557 209.3765 4.582984 2.651978       6.559971 
1 1 1 -16 22 9  o 97.52641 3.163778 1148.789       74.07738 1370.386       110.5437 968.1702       99.80054 106.0065 4.310220 89.04636 4.632490 16.96011       6.327555 
1 1 1 -16 22 10 o 28.81831 6.703936 91.72150       56.53954 153.7793       85.37247 43.23813       75.45990 34.33025 9.796511 23.30637 9.154202 11.02388       13.40787 
1 1 1 -16 22 11 o 75.03067 3.532695 690.0480       64.02168 748.2449       92.73856 637.0596       88.49136 78.06599 4.910166 71.99535 5.080356 6.070641       7.065391 
1 1 1 -16 22 12 o 24.19431 6.434010 51.73418       52.02187 92.68779       79.32343 20.82680       68.91067 27.76657 9.648930 20.62205 8.513758 7.144518       12.86802 
1 1 1 -16 22 13 o 48.10793 5.503730 298.4932       60.73464 404.3602       89.69966 208.8716       82.53097 56.72990 6.535465 39.48595 8.857306 17.24395       11.00746 
1 1 1 -16 22 14 o 42.81653 5.724160 227.3781       59.37535 453.5215       94.17893 78.19804       76.49219 59.82496 6.506824 25.80811 9.419409 34.01685       11.44832 
1 1 1 -16 22 15 o 29.58386 6.982831 119.2273       61.13977 71.53575       93.07635 155.4241       81.08752 25.93762 10.17344 33.23011 9.567702 -7.292488      13.96566 
1 1 1 -16 22 16 o 56.76303 4.824709 420.4106       65.93573 444.0931       99.14888 401.6324       88.28772 58.03224 7.061813 55.49383 6.575871 2.538406       9.649418 
1 1 1 -16 22 17 o 16.62311 5.603043 -78.11172      61.83978 -67.32533      92.70980 -86.75757      83.00249 17.50076 8.277823 15.74545 7.553410 1.755316       11.20609 
1 1 1 -16 24 1  o 156.9729 2.967292 2987.011       112.4281 3202.744       166.0038 2804.209       152.8092 162.1775 4.230827 151.7683 4.161657 10.40919       5.934584 
1 1 1 -16 24 2  o 123.5666 2.890589 1848.549       86.17693 2005.335       127.6695 1717.323       116.7998 128.3493 4.111413 118.7838 4.064270 9.565552       5.781178 
1 1 1 -16 24 3  o 82.70010 3.332859 833.0395       66.48257 851.6323       98.36611 817.4041       90.20431 83.52483 4.867743 81.87539 4.553775 1.649437       6.665717 
1 1 1 -16 24 4  o 59.60249 4.008367 436.1033       57.61013 478.4745       81.73307 394.2671       81.21545 62.51983 5.403532 56.68515 5.921981 5.834675       8.016733 
1 1 1 -16 24 5  o 61.04314 4.003591 460.1700       58.71270 420.1083       85.64857 495.6850       80.64202 58.45867 6.055763 63.62762 5.238578 -5.168945      8.007182 
1 1 1 -16 24 6  o 99.21175 3.070905 1198.077       73.54807 1253.068       108.4623 1151.267       100.0693 101.2957 4.425736 97.12781 4.258483 4.167870       6.141809 
1 1 1 -16 24 7  o 28.59190 6.824152 97.67402       55.09944 104.6060       87.67632 93.14935       70.83494 29.57064 10.15169 27.61316 9.122466 1.957478       13.64830 
1 1 1 -16 24 8  o 73.09300 3.813277 659.9361       67.08508 631.9312       98.72964 683.9556       91.43500 71.57275 5.701611 74.61325 5.065172 -3.040504      7.626554 
1 1 1 -16 24 9  o 93.68644 3.251449 1070.172       73.15508 1268.222       107.8814 901.5803       99.53561 101.7199 4.383676 85.65295 4.803235 16.06697       6.502897 
1 1 1 -16 24 10 o 20.88116 6.278073 6.078619       55.69641 29.27794       81.88177 -13.89798      75.98195 22.63183 9.304822 19.13049 8.430724 3.501339       12.55615 
1 1 1 -16 24 11 o 74.22458 3.767206 684.7883       67.53609 673.2949       97.88181 695.2317       93.30351 73.56645 5.499457 74.88271 5.150082 -1.316261      7.534412 
1 1 1 -16 24 12 o 71.66817 4.057221 642.7422       69.48247 654.5812       107.3016 634.1932       91.18094 72.04168 6.156305 71.29465 5.286215 0.7470322      8.114442 
1 1 1 -16 24 13 o 31.59024 7.178256 137.8230       62.57678 161.4243       90.53337 116.2319       86.59202 33.75406 10.21330 29.42642 10.08949 4.327633       14.35651 
1 1 1 -16 24 14 o 55.50856 4.777492 398.8931       63.93221 430.9048       95.45978 372.8561       86.09177 57.44986 6.867982 53.56727 6.642932 3.882584       9.554984 
1 1 1 -16 24 15 o 51.44181 6.106604 382.2189       72.01827 454.4360       98.66463 299.8625       105.3635 58.28301 6.997086 44.60061 10.01016 13.68240       12.21321 
1 1 1 -16 24 16 o 38.52912 7.489431 245.8152       73.95638 182.2123       101.7565 317.0312       107.6744 32.65424 10.93862 44.40401 10.23293 -11.74977      14.97886 
1 1 1 -16 26 1  o 33.95982 6.537572 153.5706       55.59409 127.6348       83.06940 174.6109       74.81995 31.47058 9.831428 36.44907 8.619884 -4.978489      13.07514 
1 1 1 -16 26 2  o 62.76315 4.025036 485.8635       60.77792 491.7941       91.09660 481.1057       81.59254 63.04340 5.972555 62.48289 5.397430 0.5605087      8.050073 
1 1 1 -16 26 3  o 81.16403 3.490045 808.7974       68.31562 819.7771       100.9864 799.5331       92.76246 81.62453 5.113752 80.70354 4.750916 0.9209976      6.980091 
1 1 1 -16 26 4  o 62.25671 4.174297 482.7505       62.04085 461.2380       94.50823 499.0416       82.24291 60.90042 6.414268 63.61301 5.343800 -2.712597      8.348595 
1 1 1 -16 26 5  o 136.4104 3.004071 2252.551       98.52525 2556.135       149.6355 2020.205       130.9066 144.4112 4.282834 128.4096 4.213682 16.00160       6.008142 
1 1 1 -16 26 6  o 46.14207 8.463618 279.0202       91.00150 279.0202       91.00150 0.000000       0.000000 46.14207 8.463618 ?        ?        ?              ?        
1 1 1 -16 26 7  o 38.75213 6.195439 206.4098       59.81519 112.3226       88.23441 286.4179       81.36540 29.84755 10.18500 47.65672 7.056890 -17.80917      12.39088 
1 1 1 -16 26 8  o 34.16707 8.277273 125.4987       97.62219 271.7430       134.0124 -39.84533      142.4950 43.60440 12.21540 24.72973 11.17305 18.87467       16.55455 
1 1 1 -16 26 9  o 101.1849 3.363797 1269.043       82.31559 1225.855       116.1153 1312.675       116.7106 99.41796 4.827501 102.9518 4.685698 -3.533829      6.727594 
1 1 1 -16 26 10 o 71.01157 5.920331 636.6191       101.7132 636.6191       101.7132 0.000000       0.000000 71.01157 5.920331 ?        ?        ?              ?        
1 1 1 -16 26 11 o 23.36697 6.815784 41.17663       62.39574 37.10169       90.54154 44.86219       86.10716 23.28758 9.698217 23.44637 9.579364 -0.1587906     13.63157 
1 1 1 -16 26 12 o 42.82213 6.523530 261.2678       65.54651 254.6147       90.70399 268.5394       94.82692 42.30222 9.130262 43.34203 9.320090 -1.039810      13.04706 
1 1 1 -16 26 13 o 65.73914 4.755327 573.0476       75.28565 505.4130       104.3507 646.4700       108.7239 61.43607 7.020526 70.04221 6.415977 -8.606133      9.510654 
1 1 1 -16 26 14 o 22.08304 6.773682 35.36940       67.04797 43.38837       91.22238 25.94760       98.88017 22.32164 9.536045 21.84444 9.622625 0.4771976      13.54736 
1 1 1 -16 28 1  o 100.5400 4.826807 1252.454       117.4089 1252.454       117.4089 0.000000       0.000000 100.5400 4.826807 ?        ?        ?              ?        
1 1 1 -16 28 2  f 45.05847 5.940157 271.1373       61.46778 251.4343       97.76485 284.0176       79.04574 42.82843 9.664701 47.28851 6.909085 -4.460079      11.88031 
1 1 1 -16 28 3  o 85.73972 3.611741 910.6086       74.65292 953.8670       111.2741 875.2016       100.6708 87.51615 5.255373 83.96327 4.955778 3.552879       7.223481 
1 1 1 -16 28 4  o 31.53675 7.030425 136.0155       59.97691 116.9809       94.78196 148.7275       77.45705 30.09857 10.54232 32.97493 9.304139 -2.876360      14.06085 
1 1 1 -16 28 5  o 19.52870 5.981259 -29.41808      58.71323 -137.1076      89.94243 50.54750       77.50494 15.60588 7.577807 23.45152 9.256279 -7.845633      11.96252 
1 1 1 -16 28 6  o 50.10562 6.826530 300.2579       76.38460 487.5669       143.0853 225.6018       90.33336 59.91653 9.870655 40.29471 9.432719 19.62183       13.65306 
1 1 1 -16 28 7  o 32.87119 7.283648 152.4546       64.41738 159.9349       92.78889 145.4952       89.49998 33.55411 10.37570 32.18827 10.22501 1.365833       14.56730 
1 1 1 -16 28 8  o 56.89555 5.292884 425.3188       72.74456 398.1372       102.4533 452.9540       103.3047 54.92453 7.710052 58.86656 7.253522 -3.942032      10.58577 
1 1 1 -16 28 9  o 74.17903 4.098700 706.8795       73.18520 780.7341       103.1746 632.0872       103.8275 78.33399 5.444027 70.02408 6.128617 8.309914       8.197400 
1 1 1 -16 28 10 o 18.87637 6.115027 -37.09105      63.56372 -70.82607      87.80021 0.6310663E-01  92.14225 17.07784 8.070983 20.67490 9.188767 -3.597059      12.23005 
1 1 1 -16 28 11 o 55.55841 7.954375 473.7535       87.75600 458.2022       99.41904 528.6140       186.7310 58.08139 7.075063 53.03543 14.24892 5.045952       15.90875 
1 1 1 -16 28 12 o 26.49602 8.496079 59.16040       117.7405 -13.17073      157.1588 151.6954       177.7580 23.36368 10.96556 29.62836 12.98037 -6.264675      16.99216 
1 1 1 -15 1  1  o 404.5256 5.174701 19799.65       505.9675 20386.37       735.1825 19271.67       697.4035 410.2044 7.407856 398.8468 7.227293 11.35760       10.34940 
1 1 1 -15 1  3  o 420.5206 6.124799 21804.33       554.4960 22265.51       653.4990 20618.68       1047.820 428.7957 6.299298 412.2455 10.50578 16.55023       12.24960 
1 1 1 -15 1  4  o 421.1128 6.142642 21789.23       553.6182 22144.16       649.3617 20844.74       1059.286 427.6555 6.276106 414.5701 10.56119 13.08539       12.28528 
1 1 1 -15 1  5  o 371.5474 5.536386 16654.57       428.7141 16592.16       493.3218 16847.12       866.5264 370.2430 5.507330 372.8517 9.606018 -2.608643      11.07277 
1 1 1 -15 1  6  o 332.4372 4.974455 13605.92       354.8925 13881.89       417.3427 12885.19       674.4472 338.6890 5.093184 326.1854 8.546360 12.50366       9.948910 
1 1 1 -15 1  7  o 841.2631 11.94416 86446.63       2125.115 87001.79       2470.316 84866.16       4168.079 847.2581 12.05132 835.2681 20.62566 11.98999       23.88832 
1 1 1 -15 1  8  o 433.6844 5.510945 22752.80       577.8621 22281.90       800.1471 23266.15       835.4354 429.0020 7.709180 438.3667 7.877221 -9.364655      11.02189 
1 1 1 -15 1  9  o 469.5227 5.939130 26696.00       674.5767 26469.48       945.3983 26930.96       962.8316 467.4966 8.358610 471.5488 8.439590 -4.052185      11.87826 
1 1 1 -15 1  10 o 509.0915 6.452313 31412.02       794.6357 31804.57       1133.872 31033.13       1113.962 512.2137 9.149780 505.9693 9.100050 6.244385       12.90463 
1 1 1 -15 1  11 o 251.7151 5.036781 7672.583       306.7359 7672.583       306.7359 0.000000       0.000000 251.7151 5.036781 ?        ?        ?              ?        
1 1 1 -15 3  1  o 210.8929 3.030853 5363.531       154.2972 5106.721       209.8059 5666.042       227.7103 205.4159 4.221642 216.3698 4.349945 -10.95395      6.061706 
1 1 1 -15 3  2  o 528.2111 6.625590 33775.09       845.6848 32830.76       1162.032 34838.44       1233.086 520.3912 9.229661 536.0309 9.508267 -15.63971      13.25118 
1 1 1 -15 3  3  o 462.9069 5.852236 25960.06       655.3431 25740.67       918.5471 26187.51       935.2694 460.9188 8.237106 464.8950 8.315331 -3.976227      11.70447 
1 1 1 -15 3  4  o 406.0518 5.187407 19953.25       509.3303 19557.22       706.3991 20382.06       735.0590 401.8628 7.265576 410.2408 7.405955 -8.378021      10.37481 
1 1 1 -15 3  5  o 522.2719 6.545838 33042.68       827.0635 32832.64       1162.112 33258.25       1177.326 520.5927 9.226723 523.9510 9.287604 -3.358337      13.09168 
1 1 1 -15 3  6  o 564.6776 7.048683 38626.20       962.9655 38609.84       1361.395 38642.58       1362.283 564.5580 9.967204 564.7971 9.969481 -0.2391357     14.09737 
1 1 1 -15 3  7  o 905.0226 13.64856 99800.28       2827.700 100304.8       3481.358 98822.13       4847.575 909.1090 15.82816 900.9363 22.23966 8.172729       27.29712 
1 1 1 -15 3  8  o 72.57201 2.852728 637.1803       50.08778 0.000000       0.000000 637.1803       50.08778 ?        ?        72.57201 2.852728 ?              ?        
1 1 1 -15 3  9  o 387.8829 4.980804 18210.06       467.2885 17952.48       651.7517 18482.53       670.3315 385.0637 6.995960 390.7021 7.091557 -5.638428      9.961608 
1 1 1 -15 3  10 o 775.2542 9.617448 73080.07       1803.698 73681.42       2572.491 72498.58       2529.677 778.3730 13.66041 772.1354 13.54158 6.237610       19.23490 
1 1 1 -15 3  11 o 353.4592 4.611575 15140.68       394.3429 15055.54       554.7266 15227.66       560.6913 352.4564 6.505359 354.4620 6.538104 -2.005585      9.223150 
1 1 1 -15 3  12 o 228.3378 4.549171 6314.637       251.3115 6314.637       251.3115 0.000000       0.000000 228.3378 4.549171 ?        ?        ?              ?        
1 1 1 -15 3  13 o 106.5028 2.943912 1372.978       75.85567 1372.978       75.85567 0.000000       0.000000 106.5028 2.943912 ?        ?        ?              ?        
1 1 1 -15 5  2  o 848.7627 14.87775 87678.27       3047.677 91481.27       4502.199 84461.63       4140.602 865.5327 21.50002 831.9927 20.57035 33.54004       29.75550 
1 1 1 -15 5  3  o 140.2216 2.402536 2377.490       81.47898 2315.096       113.5144 2443.799       117.0230 138.3252 3.391935 142.1181 3.403452 -3.792847      4.805071 
1 1 1 -15 5  4  o 714.7268 10.83689 62126.79       1770.615 62313.28       2175.500 61760.86       3047.419 716.7782 12.54504 712.6755 17.67413 4.102722       21.67378 
1 1 1 -15 5  5  o 694.6641 8.601150 58494.98       1445.504 58770.34       2054.322 58224.95       2034.327 696.2795 12.19502 693.0486 12.13262 3.230835       17.20230 
1 1 1 -15 5  6  o 522.6189 6.554524 33068.20       828.5845 33495.59       1186.615 32661.51       1157.517 525.9099 9.326017 519.3279 9.212629 6.582031       13.10905 
1 1 1 -15 5  7  o 409.6625 5.235401 20296.54       518.4970 20813.60       751.2296 19826.14       716.5315 414.6366 7.488636 404.6884 7.318334 9.948181       10.47080 
1 1 1 -15 5  8  o 244.7497 3.396214 7249.001       201.1032 7260.706       284.6646 7237.340       284.1419 244.9469 4.803516 244.5524 4.802429 0.3944244      6.792429 
1 1 1 -15 5  9  o 752.5684 9.317075 68769.13       1696.321 68396.81       2385.286 69150.09       2412.871 750.5162 13.13645 754.6205 13.21610 -4.104248      18.63415 
1 1 1 -15 5  10 o 350.7765 4.566074 14906.29       387.4994 14952.53       549.5630 14860.57       546.4639 351.3168 6.465710 350.2362 6.449086 1.080658       9.132148 
1 1 1 -15 5  11 o 408.2320 5.230839 20214.66       516.6263 20161.31       728.7073 20268.57       732.5479 407.6919 7.387862 408.7720 7.407174 -1.080139      10.46168 
1 1 1 -15 5  12 o 214.1424 4.351327 5553.877       225.4378 0.000000       0.000000 5553.877       225.4378 ?        ?        214.1424 4.351327 ?              ?        
1 1 1 -15 5  14 o 212.3139 4.337682 5470.264       222.7975 5406.306       312.9554 5535.991       317.2552 211.0564 6.128887 213.5715 6.139926 -2.515106      8.675364 
1 1 1 -15 5  15 o 162.5274 3.643498 3203.919       143.2548 3158.834       201.0160 3250.446       204.2076 161.3661 5.148916 163.6887 5.156449 -2.322556      7.286995 
1 1 1 -15 5  16 o 94.92203 4.010690 1092.564       92.10611 1092.564       92.10611 0.000000       0.000000 94.92203 4.010690 ?        ?        ?              ?        
1 1 1 -15 7  1  o 536.9990 6.733710 34923.16       874.6863 35310.90       1251.294 34552.65       1223.172 539.9088 9.579365 534.0891 9.466105 5.819702       13.46742 
1 1 1 -15 7  2  o 609.0160 7.591097 44934.97       1118.304 44523.87       1564.296 45364.70       1599.326 606.1741 10.66644 611.8578 10.80399 -5.683777      15.18219 
1 1 1 -15 7  3  o 532.8643 6.677522 34378.59       860.6135 33898.53       1199.800 34887.37       1235.152 529.0389 9.373871 536.6898 9.512506 -7.650879      13.35504 
1 1 1 -15 7  4  o 345.0398 4.506466 14401.03       376.0257 14146.12       522.5229 14674.85       541.5486 341.8762 6.317339 348.2034 6.428389 -6.327209      9.012933 
1 1 1 -15 7  5  o 250.9966 3.482491 7604.784       211.1347 7941.746       309.5031 7311.486       288.7547 256.1833 4.993579 245.8100 4.855425 10.37331       6.964983 
1 1 1 -15 7  6  o 402.5253 5.159201 19602.33       502.1892 20000.99       723.9673 19232.62       697.1945 406.4645 7.361969 398.5860 7.229856 7.878510       10.31840 
1 1 1 -15 7  7  o 174.8698 2.734779 3700.006       115.7010 3713.229       163.9224 3686.878       163.3311 175.1811 3.867664 174.5584 3.867460 0.6226807      5.469558 
1 1 1 -15 7  8  o 255.6667 3.527292 7906.683       218.0997 7754.771       303.4094 8069.103       313.7284 253.1280 4.954349 258.2054 5.022110 -5.077377      7.054585 
1 1 1 -15 7  9  o 457.4995 5.803317 25371.62       642.3074 25200.63       902.3834 25547.22       914.4566 455.9403 8.180519 459.0587 8.233654 -3.118378      11.60663 
1 1 1 -15 7  10 o 317.7643 4.199838 12233.95       322.8698 12181.86       454.5434 12287.00       458.6987 317.0828 5.925164 318.4458 5.953737 -1.363037      8.399676 
1 1 1 -15 7  11 o 241.8153 3.379640 7082.872       197.7206 7068.895       278.8700 7097.000       280.3743 241.5759 4.771400 242.0546 4.787651 -0.4786682     6.759280 
1 1 1 -15 7  12 o 119.8567 2.311731 1738.273       67.01913 1782.491       96.00267 1696.239       93.60165 121.3428 3.270146 118.3706 3.268415 2.972145       4.623461 
1 1 1 -15 7  13 o 82.95879 3.100815 833.1802       62.23584 0.000000       0.000000 833.1802       62.23584 ?        ?        82.95879 3.100815 ?              ?        
1 1 1 -15 7  14 o 78.53564 3.055368 746.7861       58.05408 0.000000       0.000000 746.7861       58.05408 ?        ?        78.53564 3.055368 ?              ?        
1 1 1 -15 7  15 o 325.1967 4.300525 12844.34       338.2441 12632.63       471.1422 13069.53       485.8977 322.4427 6.039447 327.9507 6.123982 -5.508087      8.601050 
1 1 1 -15 7  16 o 114.3773 3.174103 1588.103       87.82915 1569.304       123.4433 1607.377       124.9895 113.6920 4.487820 115.0627 4.489900 -1.370682      6.348207 
1 1 1 -15 7  17 o 77.66400 2.968575 732.2129       55.74605 762.8793       80.43396 703.8668       77.33119 79.22715 4.196267 76.10085 4.200132 3.126305       5.937151 
1 1 1 -15 7  18 o 146.4272 3.452454 2607.872       122.0173 2442.594       165.8096 2803.094       180.2048 141.4004 4.846817 151.4540 4.917939 -10.05365      6.904909 
1 1 1 -15 9  1  o 378.3449 4.897080 17326.82       448.2527 17370.35       635.6608 17283.77       632.2034 378.8172 6.935750 377.8727 6.915268 0.9444885      9.794160 
1 1 1 -15 9  2  o 179.2544 2.809898 3884.252       121.8013 3771.473       169.0892 4005.886       175.6015 176.5526 3.958581 181.9563 3.988953 -5.403748      5.619796 
1 1 1 -15 9  3  o 302.2277 4.040061 11046.35       295.2490 10823.79       409.4533 11287.41       426.1366 299.0602 5.659050 305.3952 5.767456 -6.335083      8.080123 
1 1 1 -15 9  4  o 199.9316 2.993809 4836.670       144.8130 4843.626       204.9187 4829.730       204.6747 200.0752 4.233367 199.7880 4.234405 0.2872314      5.987619 
1 1 1 -15 9  5  o 288.9480 3.898354 10104.30       272.5191 10149.75       386.6792 10059.45       384.1339 289.5934 5.518992 288.3026 5.507212 1.290771       7.796709 
1 1 1 -15 9  6  o 333.7832 4.386752 13486.39       354.2460 13446.01       499.5438 13527.24       502.4276 333.2809 6.195280 334.2855 6.212317 -1.004639      8.773504 
1 1 1 -15 9  7  o 291.3125 3.925479 10269.06       276.5919 10109.37       385.8014 10437.94       396.7484 288.9844 5.518070 293.6406 5.584661 -4.656189      7.850958 
1 1 1 -15 9  8  o 365.8460 4.750156 16213.99       420.4248 16322.65       598.0864 16107.84       591.1160 367.0563 6.734865 364.6357 6.700561 2.420593       9.500312 
1 1 1 -15 9  9  o 278.1019 3.778440 9364.955       254.1695 9231.808       354.9471 9505.080       364.1286 276.0758 5.314141 280.1281 5.372740 -4.052277      7.556880 
1 1 1 -15 9  10 o 175.7375 2.757844 3739.047       117.2503 3728.176       164.8771 3750.170       166.7732 175.4798 3.883569 175.9953 3.916722 -0.5155640     5.515688 
1 1 1 -15 9  11 o 170.7766 2.724538 3530.407       112.5517 3604.315       160.8842 3459.563       157.5136 172.5265 3.854386 169.0267 3.851770 3.499771       5.449076 
1 1 1 -15 9  12 o 64.05553 2.530002 496.8445       39.20829 494.7576       55.37515 498.9427       55.52292 63.92059 3.580732 64.19048 3.575192 -0.2698822     5.060004 
1 1 1 -15 9  13 o 291.2677 3.928318 10285.60       276.7130 10491.15       398.2040 10093.66       384.8026 294.0741 5.596888 288.4614 5.513762 5.612701       7.856635 
1 1 1 -15 9  14 o 206.5074 3.057177 5162.519       152.6156 5330.887       221.4095 5010.111       210.6540 209.7071 4.363960 203.3076 4.282661 6.399460       6.114355 
1 1 1 -15 9  15 o 181.7118 4.005332 4003.848       176.0856 4003.848       176.0856 0.000000       0.000000 181.7118 4.005332 ?        ?        ?              ?        
1 1 1 -15 9  16 o 170.1856 3.808064 3514.829       156.7939 0.000000       0.000000 3514.829       156.7939 ?        ?        170.1856 3.808064 ?              ?        
1 1 1 -15 9  17 o 130.5524 2.375829 2065.717       74.95937 2154.782       109.1801 1986.297       103.0983 133.2052 3.387816 127.8996 3.331808 5.305573       4.751657 
1 1 1 -15 9  18 o 67.76242 2.440526 513.3672       33.03500 481.8123       36.87165 641.7609       74.37567 63.01741 2.418409 72.50744 4.239806 -9.490028      4.881051 
1 1 1 -15 9  19 o 17.62457 4.958964 19.74984       32.00267 6.951815       44.00151 34.12255       46.63000 16.05736 6.729899 19.19179 7.285175 -3.134434      9.917929 
1 1 1 -15 9  20 o 72.94393 3.070782 649.9870       53.86396 558.5961       72.93052 759.6669       79.89531 67.30715 4.478636 78.58071 4.202455 -11.27356      6.141563 
1 1 1 -15 9  21 o 48.36627 3.041027 289.9544       35.08884 230.2201       48.36497 356.3355       50.98485 43.00819 4.648122 53.72435 3.922542 -10.71616      6.082054 
1 1 1 -15 11 1  o 483.5040 8.645795 28315.75       1011.364 0.000000       0.000000 28315.75       1011.364 ?        ?        483.5040 8.645795 ?              ?        
1 1 1 -15 11 2  o 501.1561 6.318651 30424.23       766.1249 30440.21       1084.016 30408.29       1082.914 501.2874 8.938124 501.0248 8.933719 0.2626038      12.63730 
1 1 1 -15 11 3  o 128.6136 2.540905 1994.033       78.89700 1831.263       108.1474 2179.222       115.3554 123.0233 3.633512 134.2038 3.552800 -11.18054      5.081810 
1 1 1 -15 11 4  o 367.1020 4.790018 16238.97       423.9455 15440.03       571.3632 17217.62       632.3662 357.1114 6.613118 377.0926 6.931359 -19.98120      9.580035 
1 1 1 -15 11 5  o 753.4991 11.31650 70083.75       1999.284 64830.46       3185.529 73497.83       2568.043 729.2474 18.05528 777.7509 13.64770 -48.50348      22.63300 
1 1 1 -15 11 6  o 261.2549 3.625369 8259.658       229.0758 8126.693       319.0862 8401.072       329.0685 259.0878 5.090481 263.4221 5.163352 -4.334381      7.250738 
1 1 1 -15 11 7  o 391.2446 5.044480 18552.07       477.4443 18384.77       669.4348 18725.27       681.1337 389.4529 7.104786 393.0363 7.163040 -3.583405      10.08896 
1 1 1 -15 11 8  o 163.9091 3.296725 3291.395       124.7873 3123.141       207.7244 3386.400       156.0918 160.5656 5.347276 167.2527 3.857488 -6.687088      6.593450 
1 1 1 -15 11 9  o 192.1638 2.926789 4471.449       136.0668 4465.553       191.6263 4477.445       193.2387 192.0367 4.124475 192.2908 4.153682 -0.2541656     5.853577 
1 1 1 -15 11 10 o 133.2441 2.480863 2149.245       79.96863 2129.545       112.2441 2169.553       113.9609 132.6245 3.498142 133.8638 3.518766 -1.239349      4.961725 
1 1 1 -15 11 11 o 502.2119 7.828650 30736.31       893.6479 30604.99       1090.135 31005.36       1560.387 501.3990 8.986582 503.0247 12.82156 -1.625732      15.65730 
1 1 1 -15 11 12 o 155.6948 3.285232 2958.873       116.7447 3002.219       143.6299 2874.479       200.4132 157.4382 3.770792 153.9515 5.380717 3.486710       6.570464 
1 1 1 -15 11 13 o 139.8760 5.229933 2373.587       176.9872 0.000000       0.000000 2373.587       176.9872 ?        ?        139.8760 5.229933 ?              ?        
1 1 1 -15 11 14 o 158.7139 3.298079 3092.209       120.1695 2939.917       202.6439 3174.812       149.2425 155.5860 5.383452 161.8418 3.811530 -6.255859      6.596159 
1 1 1 -15 11 15 o 79.41944 3.235365 788.2869       57.21674 707.9120       100.6479 826.6647       69.54800 76.27242 5.454248 82.56646 3.481598 -6.294037      6.470730 
1 1 1 -15 11 16 o 27.77680 4.893287 100.3739       32.73394 82.16083       51.05610 113.0857       42.65417 25.67223 7.647867 29.88138 6.106322 -4.209145      9.786574 
1 1 1 -15 11 17 o 78.17815 2.435071 728.9670       45.60760 859.3541       70.59005 635.5390       59.75367 84.06050 3.470957 72.29580 3.416247 11.76470       4.870142 
1 1 1 -15 11 18 o 160.8681 3.728044 3157.266       145.0952 0.000000       0.000000 3157.266       145.0952 ?        ?        160.8681 3.728044 ?              ?        
1 1 1 -15 11 19 o 107.5956 2.307722 1411.556       60.02292 1442.998       87.02467 1383.026       82.89620 108.7243 3.308365 106.4668 3.218236 2.257484       4.615444 
1 1 1 -15 11 20 o 20.14320 5.406193 21.26574       42.48008 81.64188       57.39727 -51.86199      63.16835 25.19546 8.206332 15.09094 7.040157 10.10452       10.81239 
1 1 1 -15 13 1  o 696.6150 8.663146 58977.84       1459.911 59470.75       2082.598 58501.57       2047.110 699.4615 12.30664 693.7686 12.19619 5.692932       17.32629 
1 1 1 -15 13 2  o 251.6258 3.553517 7665.226       216.3260 7716.411       306.9452 7614.712       304.9272 252.4604 5.025338 250.7912 5.025526 1.669189       7.107034 
1 1 1 -15 13 3  o 527.1735 6.642767 33697.38       846.7245 33055.43       1173.225 34395.23       1223.239 521.9549 9.290649 532.3920 9.496803 -10.43707      13.28553 
1 1 1 -15 13 4  o 552.7429 6.946096 37097.36       928.8942 37081.46       1313.514 37113.26       1313.795 552.6242 9.824321 552.8616 9.822206 -0.2373657     13.89219 
1 1 1 -15 13 5  o 152.2886 2.681143 2806.065       98.76182 2750.305       137.8777 2864.821       141.5347 150.7358 3.780725 153.8414 3.802659 -3.105576      5.362285 
1 1 1 -15 13 6  o 74.07675 2.698002 665.5421       48.25417 638.1088       69.56315 690.9855       66.99280 72.60054 3.960382 75.55296 3.665003 -2.952423      5.396005 
1 1 1 -15 13 7  o 124.4161 2.520568 1874.156       75.86002 1899.667       106.8894 1848.266       107.6795 125.2703 3.526828 123.5620 3.602018 1.708298       5.041136 
1 1 1 -15 13 8  f 188.5703 4.149355 4306.315       189.3024 0.000000       0.000000 4306.315       189.3024 ?        ?        188.5703 4.149355 ?              ?        
1 1 1 -15 13 9  o 99.90182 2.452054 1207.856       59.24605 1189.485       82.50522 1227.415       85.12952 99.11856 3.440520 100.6851 3.494723 -1.566536      4.904107 
1 1 1 -15 13 10 o 99.82655 2.519771 1206.598       60.82114 1210.902       87.59956 1202.591       84.51170 99.99674 3.620877 99.65636 3.505174 0.3403854      5.039543 
1 1 1 -15 13 11 o 128.2263 2.578573 1990.593       79.97409 2027.526       114.6893 1955.637       111.5759 129.3828 3.663903 127.0699 3.629320 2.312950       5.157145 
1 1 1 -15 13 12 o 128.4248 2.607092 1997.431       80.98863 2027.355       115.9343 1968.909       113.1856 129.3631 3.704242 127.4865 3.669648 1.876572       5.214184 
1 1 1 -15 13 13 o 176.3405 4.070172 3770.172       173.6469 0.000000       0.000000 3770.172       173.6469 ?        ?        176.3405 4.070172 ?              ?        
1 1 1 -15 13 14 o 27.01786 5.023810 78.88791       38.89951 167.1500       58.08188 7.096626       52.38288 36.42765 6.841559 17.60807 7.358515 18.81958       10.04762 
1 1 1 -15 13 15 o 130.3579 2.584805 2053.345       81.28891 2194.469       120.6562 1936.046       110.0010 134.4326 3.709732 126.2832 3.600383 8.149437       5.169610 
1 1 1 -15 13 16 o 54.64075 3.298752 369.8279       42.36433 339.4743       66.89057 390.1579       54.74308 52.67613 5.248663 56.60537 3.997324 -3.929234      6.597505 
1 1 1 -15 13 17 o 136.8241 2.599902 2254.004       85.36587 2502.247       131.3262 2072.361       112.3369 143.2344 3.789674 130.4137 3.560384 12.82071       5.199804 
1 1 1 -15 13 18 o 30.41389 5.094176 113.0544       36.44180 161.8627       59.91532 84.39732       45.90994 35.28802 7.260132 25.53976 7.147937 9.748264       10.18835 
1 1 1 -15 13 19 o 53.78851 3.131738 351.1577       40.01048 387.7452       64.09880 327.8025       51.21245 55.96929 4.733669 51.60774 4.101648 4.361549       6.263477 
1 1 1 -15 13 20 o 53.71775 3.104277 343.4049       39.46605 442.6781       64.28447 283.3547       49.99741 59.66409 4.453390 47.77142 4.325906 11.89267       6.208554 
1 1 1 -15 15 1  o 287.4004 3.936191 10008.52       273.6883 10001.63       385.7034 10015.50       388.4182 287.3024 5.548963 287.4984 5.584211 -0.1959839     7.872382 
1 1 1 -15 15 2  o 261.4603 3.664524 8274.625       231.6678 8476.915       334.7465 8088.673       320.9445 264.5211 5.230624 258.3996 5.133764 6.121490       7.329049 
1 1 1 -15 15 3  o 188.4260 2.976059 4297.274       135.6386 4390.757       194.3798 4208.555       189.3626 190.4220 4.219216 186.4301 4.198324 3.991898       5.952117 
1 1 1 -15 15 4  o 87.13210 3.884005 919.2089       81.87669 0.000000       0.000000 919.2089       81.87669 ?        ?        87.13210 3.884005 ?              ?        
1 1 1 -15 15 5  o 155.4494 2.743129 2925.873       103.1634 2895.489       145.5833 2956.519       146.2089 154.6384 3.891274 156.2605 3.867429 -1.622131      5.486258 
1 1 1 -15 15 6  o 216.6903 4.552854 5688.092       238.6852 5688.092       238.6852 0.000000       0.000000 216.6903 4.552854 ?        ?        ?              ?        
1 1 1 -15 15 7  o 269.8902 5.312497 8829.843       346.8871 0.000000       0.000000 8829.843       346.8871 ?        ?        269.8902 5.312497 ?              ?        
1 1 1 -15 15 8  o 235.3063 3.391484 6709.711       193.0659 6646.010       271.4653 6774.909       274.6350 234.1768 4.791465 236.4359 4.801095 -2.259125      6.782968 
1 1 1 -15 15 9  o 159.1647 3.885554 3068.595       149.6243 0.000000       0.000000 3068.595       149.6243 ?        ?        159.1647 3.885554 ?              ?        
1 1 1 -15 15 10 o 263.1537 3.674425 8396.686       233.8941 8267.089       326.9117 8532.597       334.7812 261.0769 5.175587 265.2306 5.217173 -4.153625      7.348849 
1 1 1 -15 15 11 o 41.33659 4.735024 211.2906       46.14730 231.2494       65.25249 191.3200       65.27180 43.62589 6.182306 39.04729 7.173627 4.578598       9.470049 
1 1 1 -15 15 12 o 139.6210 2.701049 2341.533       90.81878 2629.444       136.2519 2111.348       121.8292 147.2729 3.823997 131.9692 3.815719 15.30363       5.402098 
1 1 1 -15 15 13 o 19.01430 5.499951 10.54416       40.14865 36.41272       62.75890 -7.376807      52.23601 21.61079 8.387591 16.41780 7.116612 5.192993       10.99990 
1 1 1 -15 15 14 o 71.72816 3.147207 624.9762       54.34739 634.9052       81.25897 616.9402       73.10386 72.22441 4.650343 71.23191 4.241929 0.9925003      6.294415 
1 1 1 -15 15 15 o 83.90144 2.792022 846.6084       56.32411 962.2477       85.49101 757.9171       74.87009 88.89870 3.974869 78.90417 3.921986 9.994522       5.584045 
1 1 1 -15 15 16 o 109.7826 2.630737 1464.903       69.43404 1507.526       104.8531 1431.615       92.66217 111.1588 3.898837 108.4064 3.533013 2.752449       5.261474 
1 1 1 -15 15 17 o 48.26764 3.848702 268.8854       43.18318 362.0143       74.90845 222.5312       52.84856 54.05629 5.727726 42.47898 5.142292 11.57732       7.697403 
1 1 1 -15 15 18 o 28.98724 5.898592 105.0975       42.71186 142.7231       70.59678 83.37308       53.64351 32.56211 8.766677 25.41237 7.894234 7.149734       11.79718 
1 1 1 -15 15 19 o 41.82726 5.523264 236.6603       53.84240 281.6267       74.08386 186.3177       78.38757 46.94902 6.522210 36.70550 8.915524 10.24352       11.04653 
1 1 1 -15 15 20 o 24.75196 6.774818 50.74448       60.59988 132.8971       94.66828 -6.289114      78.87860 30.32544 10.54081 19.17847 8.513749 11.14697       13.54964 
1 1 1 -15 17 1  o 222.7318 3.295820 6005.171       177.4915 6163.867       256.5950 5859.576       245.7761 225.5475 4.702272 219.9160 4.619346 5.631516       6.591640 
1 1 1 -15 17 2  o 318.3670 4.279258 12270.11       329.1554 11858.49       451.3272 12737.80       481.0890 312.6865 5.965958 324.0475 6.136410 -11.36105      8.558516 
1 1 1 -15 17 3  o 232.2885 4.801445 6538.523       269.8372 0.000000       0.000000 6538.523       269.8372 ?        ?        232.2885 4.801445 ?              ?        
1 1 1 -15 17 4  o 283.8602 3.904519 9749.822       267.7708 9402.653       367.0047 10145.00       391.5569 278.4774 5.447276 289.2431 5.595379 -10.76578      7.809039 
1 1 1 -15 17 5  o 340.5078 4.516780 14071.90       372.0964 14038.51       525.0573 14105.60       527.3980 340.1031 6.381073 340.9125 6.394302 -0.8093872     9.033560 
1 1 1 -15 17 6  o 146.7879 2.770115 2608.311       98.34666 2685.439       141.0784 2535.396       137.1703 148.8977 3.916251 144.6781 3.918817 4.219589       5.540229 
1 1 1 -15 17 7  o 297.2266 4.055192 10716.92       291.5724 10587.76       408.3900 10851.21       416.4185 295.4036 5.714221 299.0497 5.755518 -3.646057      8.110383 
1 1 1 -15 17 8  o 104.1714 2.759448 1314.112       69.53059 1347.554       99.54266 1282.250       97.16274 105.4651 3.901201 102.8777 3.903696 2.587334       5.518896 
1 1 1 -15 17 9  o 59.34783 3.717122 427.7497       53.29961 419.8132       76.99257 435.0534       73.85910 58.81328 5.410920 59.88238 5.098033 -1.069099      7.434245 
1 1 1 -15 17 10 o 151.9933 2.836421 2798.156       104.2527 2913.282       149.9401 2690.413       145.0526 155.0181 3.997909 148.9685 4.024655 6.049652       5.672841 
1 1 1 -15 17 11 o 139.1713 2.779896 2347.138       93.53526 2473.773       134.4771 2228.457       130.1849 142.8079 3.892189 135.5347 3.970159 7.273178       5.559793 
1 1 1 -15 17 12 o 77.39826 3.060822 725.1378       57.20524 786.6421       83.71297 671.2565       78.35355 80.46812 4.299981 74.32840 4.357141 6.139725       6.121643 
1 1 1 -15 17 13 o 236.8238 3.461961 6785.566       197.3546 7337.609       297.9225 6353.889       263.4490 245.2962 5.020076 228.3514 4.768598 16.94481       6.923921 
1 1 1 -15 17 14 o 25.46617 5.896147 66.88943       43.64254 123.3132       68.50539 28.34690       56.61919 30.97088 8.753967 19.96145 7.901030 11.00943       11.79229 
1 1 1 -15 17 15 o 104.3911 2.833075 1332.703       71.43809 1274.827       102.3760 1387.629       99.73324 102.1451 4.142650 106.6371 3.865710 -4.491951      5.666150 
1 1 1 -15 17 16 o 90.83463 2.916914 999.7399       63.48875 1089.006       98.22421 935.6832       83.20634 94.22687 4.308653 87.44238 3.933074 6.784485       5.833829 
1 1 1 -15 17 17 o 98.34604 2.872660 1145.833       66.97384 1420.999       108.7984 977.9444       84.98394 107.4587 4.184837 89.23333 3.936475 18.22542       5.745319 
1 1 1 -15 17 18 o 34.59179 5.665487 170.3093       46.89412 116.6851       77.65273 201.0914       58.83360 29.36649 9.544168 39.81709 6.107361 -10.45061      11.33097 
1 1 1 -15 17 19 o 43.14966 5.477612 250.0614       53.05603 258.9242       90.29102 245.3873       65.57063 42.72250 9.018619 43.57681 6.219444 -0.8543129     10.95522 
1 1 1 -15 17 20 o 26.70866 7.416934 84.22317       78.20384 -20.35693      116.8974 168.9471       105.2164 21.34479 9.823963 32.07253 11.11456 -10.72773      14.83387 
1 1 1 -15 19 1  o 264.1107 3.726816 8445.985       237.8713 8173.280       327.1109 8752.031       346.5299 259.6019 5.208166 268.6194 5.332134 -9.017517      7.453633 
1 1 1 -15 19 2  o 64.54871 3.599824 504.4221       56.11817 463.7425       77.80049 548.5424       81.02377 61.83688 5.200348 67.26055 4.979087 -5.423672      7.199648 
1 1 1 -15 19 3  o 106.4562 2.877751 1372.274       74.09273 1324.941       103.4491 1422.129       106.1698 104.5717 4.088934 108.3408 4.050483 -3.769073      5.755501 
1 1 1 -15 19 4  o 253.0328 3.617460 7763.540       221.4311 7870.638       315.9037 7660.095       310.4689 254.7468 5.125587 251.3189 5.106116 3.427917       7.234920 
1 1 1 -15 19 5  o 133.7739 2.875092 2169.654       92.97436 2272.318       131.5097 2067.066       131.4615 136.9448 3.969266 130.6030 4.160475 6.341736       5.750185 
1 1 1 -15 19 6  o 164.9097 2.935866 3288.631       117.0017 3118.761       161.0821 3478.336       170.2272 160.4122 4.150566 169.4071 4.153316 -8.994873      5.871732 
1 1 1 -15 19 7  o 46.53432 4.991099 272.7957       53.22716 201.2762       75.57893 343.1746       74.97388 39.91899 8.102427 53.14966 5.830518 -13.23067      9.982198 
1 1 1 -15 19 8  o 85.44032 3.125953 887.3320       64.46096 953.3311       90.83849 820.3856       91.48811 88.65691 4.235016 82.22372 4.599019 6.433182       6.251906 
1 1 1 -15 19 9  o 102.2910 2.938644 1266.609       72.63373 1349.248       105.7082 1192.697       99.97092 105.4448 4.143634 99.13711 4.168071 6.307686       5.877288 
1 1 1 -15 19 10 o 76.92523 3.190514 719.5314       59.14959 714.4036       87.41013 723.8628       80.33707 76.65620 4.713160 77.19426 4.301587 -0.5380554     6.381029 
1 1 1 -15 19 11 o 63.91704 3.630722 498.1703       56.12694 486.4883       79.67448 509.6785       79.07983 63.16537 5.213602 64.66870 5.054396 -1.503326      7.261443 
1 1 1 -15 19 12 o 120.0537 2.874367 1749.549       83.31581 1834.067       122.7074 1677.259       113.4850 122.7227 4.132791 117.3846 3.995995 5.338051       5.748734 
1 1 1 -15 19 13 o 113.0730 2.849263 1544.434       77.53690 1712.204       117.1892 1413.806       103.4070 118.4685 4.088674 107.6776 3.969375 10.79089       5.698525 
1 1 1 -15 19 14 o 52.99376 4.474555 343.4303       56.73703 424.0110       85.53222 280.1115       75.81948 58.52472 6.040711 47.46280 6.602754 11.06192       8.949109 
1 1 1 -15 19 15 o 69.45490 3.617266 590.1974       60.32840 641.3565       92.37040 552.1426       79.66673 72.00097 5.302640 66.90884 4.921429 5.092133       7.234532 
1 1 1 -15 19 16 f 66.91743 3.694894 537.4908       58.64240 663.3044       95.10708 460.3179       74.48718 72.95382 5.388433 60.88105 5.057049 12.07277       7.389787 
1 1 1 -15 19 17 o 30.86161 6.644033 132.1490       53.23182 123.2824       88.31629 137.2082       66.71178 30.12574 10.19016 31.59748 8.528387 -1.471743      13.28807 
1 1 1 -15 19 18 o 30.73222 6.566562 140.1811       55.46938 86.46925       89.45959 173.7292       70.70103 26.35808 10.07021 35.10636 8.430288 -8.748278      13.13312 
1 1 1 -15 19 19 f 35.94317 6.772817 193.9245       58.67606 227.3379       95.32664 173.5431       74.45101 37.92126 10.17764 33.96508 8.938676 3.956184       13.54563 
1 1 1 -15 21 1  o 144.7721 2.889157 2540.392       101.1788 2600.228       144.4387 2482.743       141.7752 146.4461 4.076651 143.0980 4.095098 3.348129       5.778314 
1 1 1 -15 21 2  o 220.0254 3.348269 5873.193       178.2157 5802.884       249.7401 5946.147       254.3947 218.6860 4.720249 221.3648 4.750040 -2.678787      6.696538 
1 1 1 -15 21 3  o 128.7109 2.890862 2007.361       89.98855 1951.022       125.2737 2067.427       129.3503 126.8468 4.082047 130.5751 4.094537 -3.728325      5.781725 
1 1 1 -15 21 4  o 335.5450 4.496573 13642.57       363.8985 14461.40       541.2434 12967.08       491.5923 344.6490 6.491026 326.4410 6.224410 18.20798       8.993147 
1 1 1 -15 21 5  o 247.6145 5.104539 7449.642       305.7981 0.000000       0.000000 7449.642       305.7981 ?        ?        247.6145 5.104539 ?              ?        
1 1 1 -15 21 6  o 192.8393 4.458825 4515.434       208.0264 4515.434       208.0264 0.000000       0.000000 192.8393 4.458825 ?        ?        ?              ?        
1 1 1 -15 21 7  o 52.25411 5.329934 354.2524       60.35707 296.4902       102.9631 384.4930       74.49967 48.31289 9.143651 56.19533 5.479638 -7.882439      10.65987 
1 1 1 -15 21 8  o 214.5215 3.286538 5596.744       170.5418 5646.639       243.9610 5549.059       238.4967 215.4481 4.680318 213.5949 4.615186 1.853195       6.573076 
1 1 1 -15 21 9  o 143.7952 2.931344 2507.709       101.8285 2689.668       148.4709 2346.098       139.9233 148.7097 4.126668 138.8806 4.164340 9.829117       5.862689 
1 1 1 -15 21 10 o 101.0355 3.062317 1239.106       74.66167 1370.562       109.2225 1123.802       102.2929 106.0581 4.256633 96.01285 4.403659 10.04523       6.124634 
1 1 1 -15 21 11 o 104.8171 2.933852 1330.685       74.06651 1442.843       111.3835 1241.777       99.16903 108.7294 4.234200 100.9049 4.062203 7.824562       5.867703 
1 1 1 -15 21 12 o 112.2615 3.020890 1525.597       81.61169 1748.719       122.4215 1347.120       109.4908 119.5854 4.231330 104.9376 4.312650 14.64789       6.041780 
1 1 1 -15 21 13 f 52.63574 4.674949 343.9495       59.31232 369.0422       88.67008 323.6303       79.79131 54.32925 6.745919 50.94223 6.474039 3.387012       9.349898 
1 1 1 -15 21 14 o 91.94267 3.370908 1030.054       74.48051 1193.202       112.9872 904.6804       99.04681 98.30172 4.750791 85.58363 4.783519 12.71809       6.741815 
1 1 1 -15 21 15 o 30.79096 6.991065 129.3884       59.87448 100.0091       92.80953 150.3331       78.36251 28.50930 10.38008 33.07262 9.367706 -4.563320      13.98213 
1 1 1 -15 21 16 o 62.24469 4.426931 482.8501       65.35059 639.7690       100.8421 369.2345       85.80710 70.94356 5.875252 53.54583 6.623617 17.39773       8.853863 
1 1 1 -15 21 17 o 54.13398 5.022820 387.1913       65.47058 412.2094       98.48034 367.3764       87.64307 55.53488 7.329619 52.73307 6.869612 2.801804       10.04564 
1 1 1 -15 21 18 o 41.25127 6.849449 258.8802       67.06696 323.1967       102.9269 211.4237       88.41298 45.87647 9.582433 36.62608 9.789626 9.250393       13.69890 
1 1 1 -15 23 1  o 265.9064 3.782403 8532.156       241.8056 9343.047       367.9742 7915.887       320.7906 276.8676 5.493421 254.9452 5.200828 21.92247       7.564805 
1 1 1 -15 23 2  o 63.60556 3.815877 490.5208       58.28743 580.3558       85.56013 412.7235       79.62162 69.03554 5.122671 58.17558 5.657023 10.85995       7.631754 
1 1 1 -15 23 3  o 177.5965 3.049864 3813.784       130.6846 4130.055       193.6256 3549.169       177.1087 184.3173 4.342044 170.8756 4.284079 13.44173       6.099728 
1 1 1 -15 23 4  o 139.4885 2.889364 2354.491       97.29494 2541.209       143.2807 2194.722       132.5380 144.5964 4.095701 134.3806 4.076632 10.21581       5.778728 
1 1 1 -15 23 5  o 92.46817 3.132621 1035.632       69.85852 1158.549       102.5084 929.0428       95.45775 97.57754 4.342173 87.35881 4.516502 10.21873       6.265242 
1 1 1 -15 23 6  o 148.5916 2.939539 2640.943       104.7623 3108.354       160.8620 2296.688       138.0526 159.8114 4.160480 137.3718 4.153790 22.43954       5.879078 
1 1 1 -15 23 7  o 106.4873 3.053323 1380.332       78.22764 1398.904       117.2963 1365.454       104.9857 107.0919 4.527156 105.8828 4.098289 1.209137       6.106646 
1 1 1 -15 23 8  o 55.62790 4.562571 372.7656       60.20831 494.2308       92.49414 283.4543       79.31251 63.37640 6.032320 47.87941 6.846847 15.49699       9.125141 
1 1 1 -15 23 9  o 103.2160 3.065438 1294.626       76.19071 1376.301       114.5993 1229.925       101.9981 106.0848 4.465052 100.3473 4.201303 5.737457       6.130876 
1 1 1 -15 23 10 o 88.60633 3.403087 957.3557       72.66495 1082.848       107.4397 851.5577       98.64962 93.94524 4.727021 83.26742 4.896863 10.67783       6.806173 
1 1 1 -15 23 11 o 94.78773 3.213939 1100.825       73.60701 1173.839       107.2109 1035.721       101.2378 97.75706 4.533028 91.81840 4.557332 5.938667       6.427878 
1 1 1 -15 23 12 o 25.56095 6.418175 59.16545       57.62405 -31.58742      85.18909 135.7147       78.23919 19.25508 8.674826 31.86682 9.461463 -12.61175      12.83635 
1 1 1 -15 23 13 o 138.8646 4.161181 2377.116       139.8011 0.000000       0.000000 2377.116       139.8011 ?        ?        138.8646 4.161181 ?              ?        
1 1 1 -15 23 14 o 131.3082 3.053176 2135.994       96.69659 2167.007       142.8528 2109.767       131.3673 132.0706 4.470748 130.5458 4.159320 1.524872       6.106352 
1 1 1 -15 23 15 o 53.97361 5.209912 388.4019       67.23441 433.6959       92.87044 338.5171       97.46339 57.73619 6.648552 50.21103 8.023061 7.525162       10.41982 
1 1 1 -15 23 16 o 31.89566 7.201911 149.7992       67.56717 231.6950       97.93789 75.41752       93.33688 38.65915 10.28963 25.13218 10.07937 13.52696       14.40382 
1 1 1 -15 23 17 o 33.14893 7.324764 183.8810       71.00941 100.1024       100.2698 268.1720       100.5759 25.98077 10.43736 40.31709 10.27960 -14.33632      14.64953 
1 1 1 -15 25 1  o 115.3117 2.958748 1618.713       82.43726 1689.854       120.3846 1555.897       113.1218 117.6820 4.228230 112.9414 4.139908 4.740593       5.917497 
1 1 1 -15 25 2  o 50.24368 4.760565 307.0729       57.26573 376.8757       86.87234 253.4321       76.15399 55.24856 6.499176 45.23880 6.957918 10.00976       9.521130 
1 1 1 -15 25 3  o 38.55818 6.062659 193.5850       54.82251 189.5693       82.42628 196.7706       73.41524 38.07985 9.075471 39.03651 8.041091 -0.9566689     12.12532 
1 1 1 -15 25 4  o 77.50873 3.448651 729.3352       64.27782 852.4041       95.60152 627.8027       86.83470 83.45084 4.735129 71.56661 5.015111 11.88422       6.897303 
1 1 1 -15 25 5  o 112.0357 4.438900 1535.263       120.3190 1535.263       120.3190 0.000000       0.000000 112.0357 4.438900 ?        ?        ?              ?        
1 1 1 -15 25 6  o 97.83524 3.162612 1164.675       74.53297 1248.616       111.9374 1097.820       99.89806 100.9528 4.583050 94.71765 4.359371 6.235168       6.325224 
1 1 1 -15 25 7  o 107.2699 3.170928 1412.746       82.14562 1365.303       118.4761 1456.669       113.9963 105.4820 4.642479 109.0578 4.320477 -3.575790      6.341856 
1 1 1 -15 25 8  o 35.14006 6.894583 156.3191       63.47733 241.1692       95.76239 89.81690       84.77877 42.48315 9.549311 27.79697 9.947451 14.68618       13.78917 
1 1 1 -15 25 9  o 82.00892 3.612069 830.8297       71.56763 893.2873       102.7723 772.0264       99.72052 85.03743 4.995324 78.98041 5.218706 6.057022       7.224137 
1 1 1 -15 25 10 o 23.26671 6.570535 27.53853       59.56670 90.80409       85.89008 -31.08864      82.68159 27.62633 9.996763 18.90710 8.529503 8.719231       13.14107 
1 1 1 -15 25 11 o 47.81753 6.109027 323.2621       66.23017 188.0438       96.93808 441.6374       90.70000 36.57305 10.43989 59.06200 6.347414 -22.48896      12.21805 
1 1 1 -15 25 12 o 80.66638 3.911175 824.0136       75.04050 1012.817       107.8066 646.5589       104.5164 89.99902 4.951140 71.33375 6.056020 18.66527       7.822351 
1 1 1 -15 25 13 f 39.92323 6.495806 226.6179       62.54390 299.7325       90.66856 160.2448       86.38751 46.64873 8.339785 33.19773 9.961425 13.45100       12.99161 
1 1 1 -15 25 14 o 29.20972 6.823757 107.1113       63.82527 15.90681       86.96798 213.5760       93.96236 21.00586 9.144027 37.41358 10.13121 -16.40772      13.64751 
1 1 1 -15 25 15 o 23.55655 6.715590 23.04014       71.44420 -125.7536      104.7886 152.2838       97.66215 16.68540 8.119813 30.42768 10.69884 -13.74228      13.43118 
1 1 1 -15 27 1  o 56.15334 4.638318 389.8447       62.53719 463.5933       93.73768 330.6913       83.95128 60.94009 6.357829 51.36659 6.755294 9.573494       9.276636 
1 1 1 -15 27 2  o 35.08073 6.889363 166.5313       60.75120 146.5364       91.54356 182.2676       81.21172 33.24340 10.31017 36.91806 9.140771 -3.674660      13.77873 
1 1 1 -15 27 3  o 24.93330 6.688857 62.88447       55.60130 54.84797       81.88540 69.75964       75.73813 24.54289 9.565470 25.32370 9.352274 -0.7808075     13.37771 
1 1 1 -15 27 4  o 147.3626 3.037515 2656.145       108.0225 2839.840       159.8426 2501.722       146.5547 152.0043 4.346447 142.7209 4.244336 9.283386       6.075030 
1 1 1 -15 27 5  o 43.93442 6.003277 240.9206       61.71391 355.5717       97.99965 165.5735       79.44540 52.83426 7.666667 35.03458 9.240105 17.79967       12.00655 
1 1 1 -15 27 6  o 62.35437 4.995358 495.8509       74.26882 511.2010       98.17500 475.3123       113.5608 63.76123 6.364172 60.94751 7.701410 2.813721       9.990715 
1 1 1 -15 27 7  o 77.83929 4.018404 770.0464       74.32808 633.5815       107.9735 892.9628       102.4735 70.88476 6.295962 84.79382 4.995112 -13.90907      8.036808 
1 1 1 -15 27 8  o 95.36332 3.609450 1133.317       83.24340 1166.473       119.7967 1102.359       115.7552 96.70206 5.120435 94.02457 5.088582 2.677490       7.218901 
1 1 1 -15 27 9  o 39.39908 6.760262 217.3568       63.71187 230.2411       93.01980 205.9711       87.44296 40.47569 9.637442 38.32247 9.482841 2.153217       13.52052 
1 1 1 -15 27 10 o 22.34077 6.545550 11.06028       62.70914 90.46957       90.49354 -62.30081      86.97907 27.06009 10.17714 17.62145 8.234239 9.438644       13.09110 
1 1 1 -15 27 11 o 26.99228 6.668342 68.31470       65.12758 188.2752       92.44586 -49.88921      91.76651 35.50373 10.21396 18.48082 8.575668 17.02291       13.33668 
1 1 1 -15 27 12 o 17.69809 5.888906 -63.65322      64.58952 -80.93144      88.13049 -43.60376      94.93536 16.62910 7.924205 18.76708 8.713427 -2.137983      11.77781 
1 1 1 -15 27 13 o 32.09866 7.527068 170.5181       72.33868 234.8486       101.3880 103.8135       103.2419 37.56393 10.66091 26.63338 10.62883 10.93054       15.05414 
1 1 1 -15 29 2  o 37.22501 9.057639 202.2608       103.0710 268.7686       140.6701 125.1636       151.4555 42.07939 12.73070 32.37063 12.88769 9.708759       18.11528 
1 1 1 -15 29 3  o 32.90434 8.316916 110.8101       100.2393 273.2897       139.1401 -64.50922      144.5332 42.38836 12.62479 23.42032 10.83047 18.96803       16.63383 
1 1 1 -15 29 4  o 29.91945 8.667228 91.71933       100.3421 110.1487       139.2305 71.80250       144.7402 30.82515 12.32886 29.01375 12.18534 1.811401       17.33446 
1 1 1 -15 29 5  o 82.45114 5.637920 902.0893       111.9962 965.8538       156.1316 834.5033       160.7422 85.85492 7.516633 79.04737 8.405047 6.807549       11.27584 
1 1 1 -15 29 6  o 26.36734 8.204894 22.48824       100.8670 -2.440214      134.9098 54.08685       151.8902 24.60407 11.01384 28.13061 12.16456 -3.526541      16.40979 
1 1 1 -15 29 7  o 56.77063 7.682366 476.9951       101.5591 456.5139       139.5467 500.0595       148.0858 55.53300 10.77512 58.00826 10.95316 -2.475262      15.36473 
1 1 1 -15 29 8  f 100.3773 5.319658 1348.999       128.6654 1287.329       172.9968 1425.342       192.4791 98.13507 7.286374 102.6196 7.752665 -4.484489      10.63932 
1 1 1 -15 29 9  o 22.89162 7.537047 -73.13733      107.7850 50.27960       145.1973 -224.6282      160.8661 26.25809 11.60883 19.52515 9.615789 6.732943       15.07409 
1 1 1 -15 29 10 o 37.19432 9.810271 264.8768       116.8488 192.7424       149.0232 380.0119       188.2724 32.50753 12.83368 41.88112 14.84124 -9.373589      19.62054 
1 1 1 -15 29 11 o 22.00907 7.417084 -68.75740      112.6182 -193.0993      163.1534 44.40215       155.6442 19.28600 9.533010 24.73214 11.36549 -5.446142      14.83417 
1 1 1 -14 0  1  o 340.0536 4.431319 14010.72       515.1871 14010.72       515.1871 14010.72       515.1871 340.0536 6.266831 340.0536 6.266831 0.000000       0.000000 
1 1 1 -14 0  2  f 266.0976 3.608680 8578.227       328.2813 8578.227       328.2813 8578.227       328.2813 266.0976 5.103444 266.0976 5.103444 0.000000       0.000000 
1 1 1 -14 0  3  o 612.8114 7.627652 45543.73       1598.202 45543.73       1598.202 45543.73       1598.202 612.8114 10.78713 612.8114 10.78713 0.000000       0.000000 
1 1 1 -14 0  4  o 238.9328 3.314069 6915.819       270.6933 6915.819       270.6933 6915.819       270.6933 238.9328 4.686801 238.9328 4.686801 0.000000       0.000000 
1 1 1 -14 0  5  o 118.2419 2.160169 1694.827       87.26111 1694.827       87.26111 1694.827       87.26111 118.2419 3.054940 118.2419 3.054940 0.000000       0.000000 
1 1 1 -14 0  6  o 171.1726 2.626276 3549.789       153.6491 3549.789       153.6491 3549.789       153.6491 171.1726 3.714115 171.1726 3.714115 0.000000       0.000000 
1 1 1 -14 0  7  o 228.2605 3.201832 6311.097       249.8394 6311.097       249.8394 6311.097       249.8394 228.2605 4.528074 228.2605 4.528074 0.000000       0.000000 
1 1 1 -14 0  8  o 17.55924 3.283628 44.28775       17.04401 44.28775       17.04401 44.28775       17.04401 17.55924 4.643751 17.55924 4.643751 0.000000       0.000000 
1 1 1 -14 2  1  o 371.8986 5.468364 17163.95       442.4560 17721.32       526.4914 15823.92       816.3568 382.5702 5.688238 361.2269 9.341090 21.34329       10.93673 
1 1 1 -14 2  2  o 482.3618 6.086550 28172.21       709.6253 27506.54       978.1888 28911.73       1031.017 476.3678 8.487464 488.3559 8.726242 -11.98810      12.17310 
1 1 1 -14 2  3  o 147.4343 3.412151 2630.303       121.7108 0.000000       0.000000 2630.303       121.7108 ?        ?        147.4343 3.412151 ?              ?        
1 1 1 -14 2  4  o 160.0335 2.522820 3097.086       97.64527 3024.082       135.9442 3174.891       140.3434 158.0868 3.554371 161.9803 3.581192 -3.893524      5.045641 
1 1 1 -14 2  5  o 318.7550 4.187496 12295.01       322.8509 12110.65       450.4077 12489.82       463.0133 316.2997 5.885790 321.2103 5.958017 -4.910614      8.374991 
1 1 1 -14 2  6  o 374.4486 4.822647 16971.42       436.8558 16831.43       612.7023 17116.16       623.0423 372.8794 6.791706 376.0178 6.848680 -3.138428      9.645293 
1 1 1 -14 2  7  o 708.7761 8.771866 60891.76       1504.176 60731.16       2121.271 61054.17       2133.230 707.8383 12.38682 709.7139 12.42373 -1.875671      17.54373 
1 1 1 -14 2  8  o 490.7427 6.180573 29163.82       733.8116 29174.08       1038.476 29153.58       1037.058 490.8286 8.745094 490.6568 8.736205 0.1718445      12.36115 
1 1 1 -14 2  9  o 205.1984 3.417696 5232.304       150.9457 5406.753       178.4498 4793.575       282.9952 211.3912 3.489208 199.0056 5.877755 12.38556       6.835391 
1 1 1 -14 2  10 o 265.9280 3.632476 8560.376       233.7040 8601.478       330.6509 8519.346       330.3640 266.5662 5.126987 265.2898 5.147186 1.276428       7.264952 
1 1 1 -14 2  11 o 338.9398 6.294188 13919.66       516.1365 13919.66       516.1365 0.000000       0.000000 338.9398 6.294188 ?        ?        ?              ?        
1 1 1 -14 4  1  o 533.9153 6.690744 34509.04       863.2177 33550.41       1186.055 35588.75       1258.733 526.0613 9.318929 541.7693 9.603219 -15.70795      13.38149 
1 1 1 -14 4  2  o 375.9110 4.847216 17051.72       439.6389 16322.93       595.7430 17923.25       651.4749 367.1324 6.707086 384.6897 6.999786 -17.55731      9.694432 
1 1 1 -14 4  3  o 164.7215 2.594726 3283.177       103.4036 3269.800       145.6793 3296.760       146.7966 164.3834 3.663004 165.0596 3.675979 -0.6761322     5.189453 
1 1 1 -14 4  4  o 444.9074 5.641955 23953.06       606.8563 24539.52       878.6801 23418.21       839.1339 450.1029 8.068944 439.7119 7.887887 10.39096       11.28391 
1 1 1 -14 4  5  o 67.10008 1.999591 544.8465       32.45229 558.7128       45.83805 530.9117       45.95110 67.95635 2.788006 66.24380 2.867136 1.712547       3.999181 
1 1 1 -14 4  7  o 310.9338 4.115981 11697.22       309.5744 11538.56       432.8081 11863.43       442.9776 308.7761 5.793612 313.0915 5.848011 -4.315430      8.231961 
1 1 1 -14 4  8  f 286.2875 5.449937 9919.092       377.4820 0.000000       0.000000 9919.092       377.4820 ?        ?        286.2875 5.449937 ?              ?        
1 1 1 -14 4  9  o 564.7039 7.057842 38647.19       964.2589 38708.25       1365.740 38586.48       1361.606 565.1479 9.988572 564.2598 9.974014 0.8881226      14.11568 
1 1 1 -14 4  10 f 461.9371 5.855387 25863.24       654.3231 26115.15       933.8466 25620.28       917.0862 464.1424 8.316144 459.7319 8.245238 4.410492       11.71077 
1 1 1 -14 4  11 o 294.8304 3.936409 10529.99       280.7808 10570.97       398.5022 10489.59       395.6808 295.3994 5.575949 294.2615 5.557881 1.137909       7.872818 
1 1 1 -14 4  12 o 262.7903 3.601026 8356.150       228.7512 8121.232       315.6123 8616.125       332.0169 258.9086 5.038545 266.6720 5.146128 -7.763367      7.202053 
1 1 1 -14 4  13 o 20.81746 4.228083 53.05851       22.16565 58.14396       34.53027 49.49435       28.90773 21.66486 6.245200 19.97006 5.701248 1.694799       8.456166 
1 1 1 -14 4  14 o 60.34357 2.707227 440.9528       39.51232 444.4973       56.65742 437.5966       55.13153 60.57888 3.865746 60.10827 3.791085 0.4706078      5.414454 
1 1 1 -14 6  1  o 296.5031 3.959533 10635.58       283.9346 10442.37       395.1198 10841.88       408.2925 293.7215 5.560205 299.2848 5.638771 -5.563354      7.919066 
1 1 1 -14 6  2  o 636.1110 9.679081 49253.23       1410.475 49541.49       1738.051 48697.21       2413.894 639.2040 11.23882 633.0181 15.76158 6.185913       19.35816 
1 1 1 -14 6  3  o 224.1824 3.192816 6081.669       173.1711 6102.715       245.3814 6060.788       244.4232 224.5688 4.516375 223.7961 4.514271 0.7727051      6.385631 
1 1 1 -14 6  4  o 599.9797 7.474574 43611.05       1084.807 43185.05       1517.609 44056.13       1551.240 596.9904 10.50728 602.9691 10.63363 -5.978638      14.94915 
1 1 1 -14 6  5  o 397.1239 5.092549 19090.36       489.2753 19015.05       689.0981 19166.93       694.8169 396.3347 7.186487 397.9131 7.217384 -1.578430      10.18510 
1 1 1 -14 6  6  o 914.0830 13.76055 102053.1       2891.083 103129.0       3579.947 100035.7       4902.119 921.7651 16.05292 906.4008 22.35431 15.36432       27.52111 
1 1 1 -14 6  7  f 500.2741 6.292857 30306.56       761.5801 30062.90       1068.081 30558.56       1086.222 498.2314 8.860754 502.3168 8.937966 -4.085480      12.58571 
1 1 1 -14 6  8  o 860.1257 10.61254 89840.11       2208.198 89076.09       3095.949 90631.29       3150.494 856.4190 14.94188 863.8324 15.07464 -7.413391      21.22509 
1 1 1 -14 6  9  o 173.7807 2.710547 3654.170       113.9559 3696.261       162.1633 3613.107       160.1712 174.7692 3.835178 172.7922 3.831405 1.977005       5.421094 
1 1 1 -14 6  10 o 273.6492 3.712950 9066.702       245.7873 8967.416       344.2416 9169.954       351.0499 272.1225 5.228735 275.1759 5.272980 -3.053406      7.425900 
1 1 1 -14 6  11 o 314.8085 4.164687 12010.51       317.1981 12029.08       449.0613 11992.01       448.1117 315.0513 5.891449 314.5658 5.888063 0.4854736      8.329373 
1 1 1 -14 6  12 o 80.31242 2.149890 780.5556       41.76523 802.8676       59.51726 758.9093       58.62281 81.44321 3.020548 79.18163 3.060130 2.261574       4.299780 
1 1 1 -14 6  13 o 342.2214 4.484003 14211.58       371.2526 14255.49       526.6724 14168.22       523.4039 342.7450 6.351365 341.6977 6.331295 1.047272       8.968006 
1 1 1 -14 6  14 o 191.6888 2.861469 4451.566       132.7032 4463.624       188.2935 4439.666       187.0539 191.9461 4.054653 191.4314 4.038789 0.5146790      5.722939 
1 1 1 -14 6  15 o 226.3488 4.553935 6209.903       248.9489 6503.272       365.4837 5955.979       340.0270 231.3077 6.530939 221.3899 6.348238 9.917725       9.107870 
1 1 1 -14 6  16 o 142.5845 3.400010 2467.706       117.2680 2421.178       164.0206 2516.359       167.7253 141.2108 4.800960 143.9581 4.815709 -2.747253      6.800020 
1 1 1 -14 6  17 o 57.21357 2.752916 396.8760       38.00348 357.8822       52.72980 439.0244       54.82126 54.28662 4.014773 60.14052 3.767728 -5.853901      5.505831 
1 1 1 -14 8  1  o 627.4284 7.802695 47677.02       1183.968 46927.08       1646.849 48479.30       1703.348 622.3331 10.93777 632.5237 11.13074 -10.19055      15.60539 
1 1 1 -14 8  2  o 603.5951 7.531802 44115.95       1099.367 44861.87       1583.964 43422.65       1527.075 608.5060 10.75915 598.6842 10.54290 9.821838       15.06360 
1 1 1 -14 8  3  o 299.0612 4.002252 10810.71       289.3344 10524.13       399.3263 11127.43       419.8026 294.8952 5.597032 303.2272 5.722353 -8.332001      8.004504 
1 1 1 -14 8  4  o 696.9111 8.630583 58864.83       1455.148 58612.21       2048.569 59122.11       2067.341 695.4052 12.17616 698.4171 12.23475 -3.011841      17.26117 
1 1 1 -14 8  5  o 897.5071 13.55912 97945.47       2775.233 97965.20       3399.331 97906.01       4805.774 898.3996 15.63945 896.6146 22.15416 1.785034       27.11825 
1 1 1 -14 8  6  o 460.7397 5.833237 25705.44       650.2200 25615.17       916.3576 25796.97       922.7758 459.9260 8.235211 461.5535 8.263650 -1.627502      11.66647 
1 1 1 -14 8  7  f 629.7633 7.834676 48078.41       1193.633 48438.05       1700.184 47728.86       1676.175 632.0807 11.11786 627.4459 11.04182 4.634827       15.66935 
1 1 1 -14 8  8  o 628.9279 7.840200 47975.47       1192.585 47265.36       1661.276 48730.55       1713.057 624.1428 11.00159 633.7130 11.17318 -9.570251      15.68040 
1 1 1 -14 8  9  o 322.8917 4.261333 12620.77       332.7263 12378.37       461.7889 12882.48       479.8211 319.6736 5.970826 326.1098 6.081534 -6.436218      8.522665 
1 1 1 -14 8  10 o 456.4215 5.799127 25278.83       640.2454 24984.73       894.8589 25587.26       916.4132 453.7116 8.152155 459.1314 8.249962 -5.419861      11.59825 
1 1 1 -14 8  11 o 216.4807 3.131849 5673.914       163.9975 5781.071       234.7775 5571.807       229.1787 218.4753 4.441727 214.4861 4.416445 3.989197       6.263699 
1 1 1 -14 8  12 o 154.2462 2.576347 2880.050       96.12889 2930.805       137.4187 2831.413       134.5212 155.5763 3.650901 152.9161 3.636094 2.660187       5.152694 
1 1 1 -14 8  13 o 133.1870 2.431748 2147.980       78.35305 2149.813       111.4503 2146.189       110.1765 133.2424 3.457295 133.1315 3.420629 0.1109314      4.863496 
1 1 1 -14 8  15 o 308.3618 4.113543 11505.56       305.9675 12158.80       454.5751 10964.47       413.7126 316.3015 5.940215 300.4222 5.691992 15.87927       8.227085 
1 1 1 -14 8  16 o 201.4067 2.969904 4923.100       144.6985 4985.910       206.6462 4862.678       202.6807 202.6644 4.214515 200.1490 4.185591 2.515427       5.939807 
1 1 1 -14 8  17 o 128.4324 2.830673 1932.368       80.45015 1833.399       94.94018 2184.414       151.5094 122.9226 3.192389 133.9422 4.675412 -11.01952      5.661345 
1 1 1 -14 8  18 o 115.6373 3.191722 1632.681       89.28687 1663.296       126.8484 1602.618       125.7009 116.7168 4.492096 114.5579 4.535353 2.158981       6.383444 
1 1 1 -14 8  19 o 89.77515 2.961291 981.3789       64.16055 899.3456       87.53419 1076.621       94.31860 85.73211 4.220190 93.81818 4.155354 -8.086067      5.922582 
1 1 1 -14 8  20 o 22.40409 3.976085 64.70808       21.50044 62.28436       29.66938 67.38847       31.20083 21.97106 5.573045 22.83712 5.672581 -0.8660545     7.952169 
1 1 1 -14 10 1  o 616.1055 7.682125 45957.32       1144.359 47005.28       1654.372 44995.87       1584.617 622.8235 10.97908 609.3874 10.74802 13.43616       15.36425 
1 1 1 -14 10 2  o 382.4088 4.945699 17649.77       456.5341 18454.39       673.5940 16966.12       620.8945 390.4409 7.130838 374.3766 6.854990 16.06436       9.891397 
1 1 1 -14 10 3  f 673.1833 8.350427 54931.05       1359.964 54646.73       1913.162 55221.46       1933.560 671.4263 11.77745 674.9404 11.84104 -3.514038      16.70085 
1 1 1 -14 10 4  o 210.3372 3.100151 5353.443       157.7611 5367.394       223.4134 5339.569       222.8037 210.6105 4.384569 210.0639 4.383981 0.5466003      6.200302 
1 1 1 -14 10 5  o 80.80704 2.490667 790.1407       48.65191 747.9303       68.39807 833.3688       69.21762 78.62204 3.595814 82.99203 3.447291 -4.369995      4.981335 
1 1 1 -14 10 6  o 144.0785 3.610841 2511.828       125.8664 2511.828       125.8664 0.000000       0.000000 144.0785 3.610841 ?        ?        ?              ?        
1 1 1 -14 10 7  o 360.7559 4.694890 15757.93       409.6544 15527.41       571.1503 16002.16       587.8898 358.0430 6.593452 363.4688 6.685385 -5.425812      9.389780 
1 1 1 -14 10 8  o 457.0096 7.068868 25626.77       749.4529 26324.85       942.4449 24425.94       1236.072 465.8380 8.362165 448.1812 11.39955 17.65677       14.13774 
1 1 1 -14 10 9  o 39.96135 3.608728 206.8346       31.72452 275.1487       43.63663 130.2461       46.20385 47.67478 3.783208 32.24793 6.146463 15.42685       7.217456 
1 1 1 -14 10 10 o 184.4505 2.845195 4119.727       126.9669 4140.179       179.5935 4099.291       179.5231 184.9086 4.014498 183.9924 4.032907 0.9161987      5.690390 
1 1 1 -14 10 11 o 243.9254 3.428042 7209.872       202.3039 7202.433       285.7409 7217.348       286.4624 243.7995 4.844371 244.0512 4.851593 -0.2516785     6.856084 
1 1 1 -14 10 12 o 105.5497 2.391463 1347.548       61.03352 1411.048       87.84035 1288.276       84.86536 107.9519 3.363269 103.1476 3.400705 4.804253       4.782925 
1 1 1 -14 10 13 o 267.3972 3.684760 8665.758       238.2598 8866.175       343.6426 8480.228       330.6342 270.3665 5.253537 264.4278 5.168189 5.938690       7.369520 
1 1 1 -14 10 14 o 62.92126 2.738791 482.3173       41.44728 428.4463       59.22718 534.0181       58.02202 59.45259 4.117636 66.38992 3.612338 -6.937328      5.477582 
1 1 1 -14 10 15 f 107.4445 3.352064 1399.205       87.13624 0.000000       0.000000 1399.205       87.13624 ?        ?        107.4445 3.352064 ?              ?        
1 1 1 -14 10 16 o 30.82741 4.188007 118.6761       29.99902 134.6131       44.86179 105.7857       40.34656 32.73179 5.881243 28.92304 5.963940 3.808752       8.376014 
1 1 1 -14 10 17 o 86.39697 2.311514 905.8803       48.23643 920.3885       70.51228 893.1188       66.13151 87.03781 3.348532 85.75614 3.187432 1.281670       4.623028 
1 1 1 -14 10 18 o 139.5096 2.457683 2369.384       82.92941 2407.711       119.0172 2333.216       115.6165 140.5995 3.498834 138.4198 3.452388 2.179764       4.915366 
1 1 1 -14 10 19 o 18.63223 4.296247 46.48476       20.81990 56.17829       22.17513 -25.62760      60.48252 21.00060 4.499868 16.26386 7.319982 4.736746       8.592494 
1 1 1 -14 10 20 o 29.13850 5.379548 99.31396       40.26820 48.18560       51.07015 183.3432       65.47138 21.01704 7.692667 37.25996 7.522036 -16.24292      10.75910 
1 1 1 -14 12 1  o 533.1478 6.707002 34415.65       864.5352 35257.12       1250.883 33646.11       1196.223 539.3711 9.585760 526.9246 9.383428 12.44653       13.41400 
1 1 1 -14 12 2  o 313.0507 4.185132 11862.15       316.9496 11761.05       444.7664 11966.46       451.7848 311.6964 5.897904 314.4050 5.939363 -2.708557      8.370264 
1 1 1 -14 12 3  o 407.4783 7.399257 20110.23       729.4490 20110.23       729.4490 0.000000       0.000000 407.4783 7.399257 ?        ?        ?              ?        
1 1 1 -14 12 4  o 471.9232 5.988389 26990.54       683.7016 26862.61       961.8350 27121.21       972.0461 470.7954 8.444347 473.0510 8.493302 -2.255585      11.97678 
1 1 1 -14 12 5  o 345.9545 4.542803 14482.07       379.9367 14133.37       524.9834 14865.56       550.5511 341.5914 6.352377 350.3177 6.495811 -8.726227      9.085607 
1 1 1 -14 12 6  o 285.6177 3.877289 9857.936       267.5106 9504.267       366.1104 10263.05       391.8322 280.1389 5.401773 291.0966 5.563661 -10.95767      7.754578 
1 1 1 -14 12 7  o 160.8037 2.679012 3128.272       104.1885 3061.839       145.0068 3199.169       149.7996 159.0405 3.768585 162.5668 3.808697 -3.526321      5.358023 
1 1 1 -14 12 8  o 63.09442 3.762250 482.6686       57.29784 524.8067       81.57833 441.6419       80.49529 65.81781 5.123056 60.37103 5.511117 5.446785       7.524501 
1 1 1 -14 12 9  o 136.3064 3.068302 2260.778       96.10351 2216.538       163.1184 2284.299       118.9380 135.2535 4.984852 137.3594 3.578987 -2.105881      6.136603 
1 1 1 -14 12 10 o 130.6824 2.515834 2061.226       79.39589 2177.199       116.7045 1961.303       108.3283 134.0921 3.597345 127.2728 3.518066 6.819298       5.031668 
1 1 1 -14 12 11 f 201.0352 3.034705 4877.391       147.2665 5182.196       217.4140 4618.983       200.1838 206.8122 4.345193 195.2581 4.237575 11.55403       6.069411 
1 1 1 -14 12 12 f 88.37634 2.565525 946.0579       54.85089 941.4854       77.92385 950.5485       77.22266 88.16389 3.653233 88.58879 3.602995 -0.4248962     5.131051 
1 1 1 -14 12 13 o 128.7312 2.569322 2002.179       79.89719 2109.831       117.0354 1908.218       109.3401 131.9611 3.665802 125.5012 3.601050 6.459839       5.138645 
1 1 1 -14 12 14 o 167.7613 2.779675 3386.438       112.3466 3716.780       168.5287 3122.213       150.7225 175.0624 3.979043 160.4602 3.882473 14.60222       5.559351 
1 1 1 -14 12 15 o 109.5666 3.437018 1456.150       91.10924 0.000000       0.000000 1456.150       91.10924 ?        ?        109.5666 3.437018 ?              ?        
1 1 1 -14 12 16 o 178.5400 3.980720 3877.245       171.9489 0.000000       0.000000 3877.245       171.9489 ?        ?        178.5400 3.980720 ?              ?        
1 1 1 -14 12 17 o 74.39090 2.627457 653.7090       46.56795 817.3139       73.63749 544.6741       60.11510 81.91273 3.715739 66.86906 3.715832 15.04366       5.254914 
1 1 1 -14 12 18 o 110.3347 2.437641 1478.638       64.85436 1554.540       96.54990 1416.233       87.54562 112.8816 3.535301 107.7878 3.357085 5.093735       4.875282 
1 1 1 -14 12 19 o 26.24121 5.650831 89.71992       38.28623 81.43962       64.86832 94.14634       47.42818 25.68797 8.733053 26.79445 7.173656 -1.106485      11.30166 
1 1 1 -14 12 20 o 34.51390 4.696986 107.1522       33.21454 68.99692       36.84895 272.4569       76.69917 22.93570 6.398429 46.09209 6.877996 -23.15639      9.393972 
1 1 1 -14 14 1  o 562.2074 7.073230 38311.19       960.3566 39724.61       1409.857 37087.64       1311.743 571.8163 10.19098 552.5984 9.811533 19.21796       14.14646 
1 1 1 -14 14 2  o 154.4431 2.736749 2887.300       102.2379 2889.760       143.1364 2884.738       146.0808 154.5113 3.829021 154.3749 3.911239 0.1363983      5.473498 
1 1 1 -14 14 3  o 238.3425 3.415479 6875.791       196.8784 6765.305       274.0086 6993.703       283.0685 236.3661 4.791557 240.3189 4.868570 -3.952774      6.830958 
1 1 1 -14 14 4  f 226.6483 4.683318 6220.625       256.8080 0.000000       0.000000 6220.625       256.8080 ?        ?        226.6483 4.683318 ?              ?        
1 1 1 -14 14 5  o 504.1258 6.375999 30866.39       777.4976 31247.07       1113.304 30503.96       1086.289 507.1458 9.073579 501.1059 8.960114 6.039856       12.75200 
1 1 1 -14 14 6  o 213.6470 3.172860 5524.002       163.9288 5661.522       236.1998 5396.207       227.6947 216.2088 4.515478 211.0851 4.458544 5.123718       6.345719 
1 1 1 -14 14 7  o 115.9097 2.569157 1626.565       72.04421 1621.246       101.4197 1631.984       102.3586 115.7187 3.622570 116.1007 3.644073 -0.3820267     5.138315 
1 1 1 -14 14 8  o 25.86279 5.040389 78.68856       36.77784 18.81160       52.34382 137.0697       51.68586 18.70977 7.532409 33.01580 6.699618 -14.30603      10.08078 
1 1 1 -14 14 9  o 212.9402 4.482976 5493.924       230.9545 5493.924       230.9545 0.000000       0.000000 212.9402 4.482976 ?        ?        ?              ?        
1 1 1 -14 14 10 o 84.51281 2.663425 866.8358       54.24930 843.1251       79.68048 887.3232       74.06693 83.42817 3.947634 85.59745 3.576524 -2.169281      5.326851 
1 1 1 -14 14 11 o 264.2216 3.679954 8467.155       235.2223 8541.252       335.2395 8395.301       330.1284 265.3577 5.221812 263.0855 5.186611 2.272125       7.359909 
1 1 1 -14 14 12 o 319.0998 4.272171 12369.91       329.7710 12512.42       471.3403 12233.27       461.5471 320.8928 6.071168 317.3068 6.012213 3.585999       8.544342 
1 1 1 -14 14 13 o 124.6142 2.615498 1881.270       78.81966 1933.770       113.5346 1832.426       109.5100 126.2898 3.715845 122.9386 3.681823 3.351219       5.230997 
1 1 1 -14 14 14 f 105.7794 2.615136 1352.108       66.68041 1421.438       99.52079 1295.630       89.82370 108.2204 3.801041 103.3385 3.592746 4.881851       5.230271 
1 1 1 -14 14 15 o 167.9286 2.821376 3417.875       114.3979 3614.855       168.4308 3249.190       155.8650 172.3939 4.038289 163.4633 3.941178 8.930618       5.642753 
1 1 1 -14 14 16 o 96.51751 2.607345 1122.172       60.55401 1265.326       91.46178 1010.452       80.79870 101.9356 3.708611 91.09938 3.665951 10.83626       5.214690 
1 1 1 -14 14 17 o 79.67429 3.358076 800.9923       62.79021 911.7177       83.43659 656.3950       95.34830 86.37086 3.992887 72.97773 5.400330 13.39313       6.716153 
1 1 1 -14 14 18 o 131.1935 3.568290 2104.937       113.2595 0.000000       0.000000 2104.937       113.2595 ?        ?        131.1935 3.568290 ?              ?        
1 1 1 -14 14 19 o 62.26232 3.108954 466.0596       45.69087 540.6221       75.13026 422.2965       57.55837 66.00288 4.704892 58.52176 4.065265 7.481129       6.217908 
1 1 1 -14 14 20 o 55.41462 4.068834 398.7461       52.46496 424.6693       67.22595 358.3581       83.91083 58.19856 4.774440 52.63068 6.589867 5.567879       8.137668 
1 1 1 -14 16 1  o 83.60713 2.858307 847.3009       57.75111 823.3454       82.91636 869.8709       80.48281 82.45581 4.156394 84.75845 3.924803 -2.302635      5.716615 
1 1 1 -14 16 2  o 360.8203 4.735651 15789.87       413.3366 15603.73       578.3123 15984.27       590.9863 358.6517 6.664802 362.9888 6.729485 -4.337158      9.471301 
1 1 1 -14 16 3  o 357.7060 4.700667 15489.94       406.1751 14970.03       555.9660 16085.10       594.8391 351.2982 6.541390 364.1138 6.752429 -12.81561      9.401335 
1 1 1 -14 16 4  o 244.0189 3.495394 7212.999       206.3262 7327.305       294.9866 7103.518       288.6939 245.9099 4.958199 242.1280 4.928224 3.781952       6.990788 
1 1 1 -14 16 5  o 287.4428 3.933593 10004.59       273.3184 10302.38       396.6745 9735.437       377.1270 291.5030 5.624566 283.3827 5.500625 8.120300       7.867186 
1 1 1 -14 16 6  o 122.2503 2.644856 1800.491       78.00718 1636.212       106.3053 1992.153       114.8241 116.2381 3.780108 128.2625 3.700249 -12.02444      5.289713 
1 1 1 -14 16 7  o 168.6766 2.834395 3443.474       115.6170 3540.209       166.5877 3353.578       160.5914 170.9592 4.027618 166.3940 3.989169 4.565216       5.668790 
1 1 1 -14 16 8  o 192.1638 3.029024 4474.092       140.8228 4496.275       199.5943 4452.104       198.7156 192.6381 4.282562 191.6894 4.284810 0.9487457      6.058047 
1 1 1 -14 16 9  o 168.4728 2.870426 3438.891       116.9948 3447.483       166.1553 3430.443       164.7648 168.6807 4.071426 168.2649 4.047329 0.4157867      5.740852 
1 1 1 -14 16 10 o 76.28445 3.077415 704.4696       56.75724 738.3381       81.97598 673.2854       78.66038 78.04350 4.341578 74.52540 4.362641 3.518105       6.154830 
1 1 1 -14 16 11 o 89.90317 2.881550 979.9128       62.61809 978.6027       86.68015 981.3427       90.55776 89.84468 3.987723 89.96166 4.160696 -0.1169815     5.763100 
1 1 1 -14 16 12 o 125.3583 2.705765 1897.941       81.87210 2079.177       120.1138 1740.666       111.8922 130.9268 3.791944 119.7897 3.860805 11.13714       5.411530 
1 1 1 -14 16 13 o 234.3239 3.408392 6648.443       192.6262 7076.292       286.5491 6295.703       260.1846 241.1435 4.911580 227.5043 4.727042 13.63913       6.816784 
1 1 1 -14 16 14 o 96.26030 2.788558 1120.352       64.57985 1188.499       97.63639 1067.350       86.10590 98.82788 4.083475 93.69272 3.798610 5.135162       5.577115 
1 1 1 -14 16 15 o 104.5533 3.726065 1331.414       94.25202 0.000000       0.000000 1331.414       94.25202 ?        ?        104.5533 3.726065 ?              ?        
1 1 1 -14 16 16 o 66.86540 3.320036 534.0350       52.96824 669.7869       82.63831 439.3725       69.00767 73.90163 4.621949 59.82918 4.767404 14.07245       6.640072 
1 1 1 -14 16 17 o 67.72814 3.375076 534.4456       53.72213 717.0659       89.66338 432.1735       67.09948 76.23242 4.861531 59.22387 4.682956 17.00856       6.750152 
1 1 1 -14 16 18 o 63.06383 3.375224 467.9666       50.06379 614.5165       83.55302 385.8810       62.53207 70.32116 4.911045 55.80650 4.631435 14.51466       6.750448 
1 1 1 -14 16 19 o 108.1147 2.848796 1428.773       73.59885 1573.884       115.3302 1329.076       95.59462 112.5452 4.235590 103.6843 3.810817 8.860901       5.697592 
1 1 1 -14 16 20 o 43.60447 6.095482 242.8965       76.05583 581.7966       119.3105 10.91493       98.71196 65.49330 7.529733 21.71563 9.587635 43.77767       12.19096 
1 1 1 -14 18 1  o 228.1826 3.380880 6309.534       186.6254 6354.296       266.1774 6266.252       261.7349 228.9765 4.804831 227.3888 4.757627 1.587677       6.761761 
1 1 1 -14 18 2  o 56.47325 3.847179 386.5057       51.76533 482.1042       75.52902 301.8208       71.08717 63.06675 4.950068 49.87976 5.890669 13.18699       7.694358 
1 1 1 -14 18 3  o 376.2799 4.922650 17160.67       447.4385 17813.15       655.3159 16590.83       612.4081 382.9420 7.073193 369.6178 6.848348 13.32416       9.845300 
1 1 1 -14 18 4  o 196.7043 3.095623 4667.927       146.9519 4407.460       199.3779 4977.717       217.4373 190.7269 4.320787 202.6816 4.434220 -11.95474      6.191245 
1 1 1 -14 18 5  o 337.4261 4.498795 13801.81       366.8708 14254.68       534.0411 13397.09       504.8556 342.6446 6.442116 332.2077 6.281382 10.43692       8.997589 
1 1 1 -14 18 6  o 50.75637 4.260197 314.9795       51.87668 272.1141       74.12652 356.1269       72.62592 47.33384 6.472909 54.17891 5.540629 -6.845062      8.520394 
1 1 1 -14 18 7  o 113.1075 2.817549 1553.137       76.94408 1644.755       107.8691 1458.232       109.7869 116.5171 3.826530 109.6978 4.136667 6.819351       5.635099 
1 1 1 -14 18 8  o 79.06955 3.150134 758.3094       60.16103 815.3860       85.65621 702.7419       84.51633 82.01254 4.316943 76.12656 4.588832 5.885979       6.300268 
1 1 1 -14 18 9  o 146.3219 2.798257 2595.477       99.05977 2594.316       140.2744 2596.631       139.9097 146.2888 3.963374 146.3549 3.951283 -0.6619263E-01 5.596514 
1 1 1 -14 18 10 f 100.9375 2.911852 1236.274       71.03893 1232.762       102.6903 1239.497       98.37691 100.7932 4.211104 101.0818 4.022703 -0.2886124     5.823705 
1 1 1 -14 18 11 o 30.20384 5.962359 115.6950       46.22318 83.94238       67.13227 144.3185       63.73859 26.76551 8.882689 33.64216 7.955925 -6.876648      11.92472 
1 1 1 -14 18 12 o 173.5852 2.960903 3653.660       124.1384 3839.548       182.1493 3492.437       169.6345 177.6857 4.237138 169.4847 4.136962 8.201050       5.921806 
1 1 1 -14 18 13 o 126.5030 2.804558 1933.521       85.37231 2086.612       129.1369 1814.666       113.7845 130.8945 4.077806 122.1114 3.851451 8.783051       5.609116 
1 1 1 -14 18 14 o 168.5686 2.952972 3432.716       119.6536 3795.823       182.3274 3158.041       158.5787 176.2778 4.275156 160.8595 4.074703 15.41830       5.905943 
1 1 1 -14 18 15 o 38.38105 5.826154 195.1410       52.17778 173.7487       78.80195 211.8422       69.62778 36.22351 9.024870 40.53858 7.370753 -4.315071      11.65231 
1 1 1 -14 18 16 o 66.95033 3.577768 531.5490       56.69393 711.0435       90.86823 417.1428       72.54564 75.85470 4.951391 58.04595 5.165794 17.80875       7.155537 
1 1 1 -14 18 17 o 27.30670 6.531958 92.74941       50.00439 112.6799       82.10296 80.99715       63.04644 29.26283 9.825524 25.35057 8.609586 3.912258       13.06392 
1 1 1 -14 18 18 o 43.96878 5.281786 257.9816       52.15384 251.9411       87.07785 261.3605       65.12726 42.65294 8.732289 45.28462 5.944424 -2.631680      10.56357 
1 1 1 -14 18 19 o 25.38223 6.493945 66.42498       53.71862 151.5941       86.74610 13.44777       68.41533 31.68816 10.06651 19.07629 8.206742 12.61186       12.98789 
1 1 1 -14 18 20 o 46.45042 7.745216 375.9502       89.73420 277.3349       133.4994 457.2278       121.1973 37.95923 12.52276 54.94162 9.117785 -16.98238      15.49043 
1 1 1 -14 20 1  o 367.3120 6.843132 16401.62       608.1243 0.000000       0.000000 16401.62       608.1243 ?        ?        367.3120 6.843132 ?              ?        
1 1 1 -14 20 2  o 166.2736 2.980072 3350.542       119.8725 3408.869       170.1688 3293.088       168.8891 167.7115 4.193869 164.8357 4.234946 2.875732       5.960143 
1 1 1 -14 20 3  o 312.8374 4.242087 11831.72       320.0520 11248.14       432.1954 12540.33       476.2482 304.3607 5.869339 321.3141 6.126343 -16.95337      8.484175 
1 1 1 -14 20 4  o 253.4239 3.643167 7777.568       223.0798 7510.793       306.0816 8079.834       325.8063 248.8075 5.084773 258.0403 5.218789 -9.232773      7.286334 
1 1 1 -14 20 5  o 265.9911 3.756516 8587.172       241.7166 8507.076       338.8003 8670.207       344.9608 264.7319 5.289750 267.2502 5.335185 -2.518250      7.513031 
1 1 1 -14 20 6  o 252.0810 3.630086 7700.611       221.1427 8009.185       322.2146 7425.828       304.0604 256.8372 5.185434 247.3249 5.081474 9.512253       7.260172 
1 1 1 -14 20 7  o 348.1982 5.647909 14982.22       456.4802 15438.44       575.1705 14205.83       750.3167 355.9715 6.678502 340.4248 9.110057 15.54675       11.29582 
1 1 1 -14 20 8  o 75.72963 3.334906 696.7977       61.06194 729.3611       86.72980 664.7917       85.98428 77.49033 4.626137 73.96893 4.804712 3.521400       6.669813 
1 1 1 -14 20 9  o 82.94164 3.178829 835.2546       63.75670 869.4211       91.75764 803.3607       88.65363 84.58100 4.484015 81.30228 4.507041 3.278725       6.357658 
1 1 1 -14 20 10 o 163.5094 2.888604 3250.112       114.2602 3238.499       162.5007 3261.468       160.6912 163.2146 4.115227 163.8042 4.054756 -0.5895844     5.777209 
1 1 1 -14 20 11 o 102.5621 2.952942 1269.350       72.93941 1422.169       109.4206 1147.141       97.85027 108.0657 4.185132 97.05841 4.167029 11.00729       5.905883 
1 1 1 -14 20 12 o 128.9968 2.899933 2017.326       90.22606 2201.319       134.0125 1864.774       122.0260 134.3387 4.123269 123.6549 4.078860 10.68383       5.799866 
1 1 1 -14 20 13 o 55.20530 4.243237 378.9952       55.63784 364.2689       86.37676 389.4380       72.73716 54.16044 6.591928 56.25017 5.344785 -2.089729      8.486473 
1 1 1 -14 20 14 o 76.78640 3.503275 723.2028       64.86005 765.5176       96.67522 688.5653       87.46648 78.78605 5.071816 74.78675 4.834089 3.999298       7.006549 
1 1 1 -14 20 15 o 49.59822 5.040493 302.4055       57.65737 415.9055       91.79972 228.4628       74.09540 57.44130 6.605639 41.75514 7.615237 15.68616       10.08099 
1 1 1 -14 20 16 o 86.18263 3.328028 898.8749       68.35043 1069.238       108.7694 787.7007       87.86617 92.68311 4.850696 79.68216 4.557832 13.00095       6.656056 
1 1 1 -14 20 17 o 48.29922 5.492455 316.8821       61.25970 282.8683       92.77407 343.1776       81.57165 45.07521 8.823048 51.52324 6.543857 -6.448036      10.98491 
1 1 1 -14 20 18 o 23.55354 6.481398 38.71295       57.28362 132.6120       89.34081 -26.83972      74.64735 29.73550 10.24535 17.37159 7.941472 12.36391       12.96280 
1 1 1 -14 20 19 o 19.51782 6.616415 -81.60342      89.76512 -60.19036      127.8606 -102.4152      126.0528 20.17021 9.592854 18.86544 9.115093 1.304768       13.23283 
1 1 1 -14 22 1  o 242.8939 3.558558 7169.579       209.1141 7204.761       296.9391 7134.963       294.5395 243.4832 5.040761 242.3046 5.024347 1.178604       7.117115 
1 1 1 -14 22 2  o 117.5696 2.904973 1677.445       82.60583 1729.399       117.1006 1625.982       116.5460 119.3866 4.054163 115.7526 4.161637 3.633995       5.809945 
1 1 1 -14 22 3  o 216.6696 3.327208 5691.248       174.2186 5951.539       253.8073 5459.334       239.5732 221.3381 4.739642 212.0010 4.670871 9.337082       6.654416 
1 1 1 -14 22 4  o 239.2016 3.528702 6935.148       203.8605 7323.923       299.2238 6598.371       278.4954 245.4270 5.039315 232.9763 4.940876 12.45070       7.057404 
1 1 1 -14 22 5  o 57.29018 4.203584 401.2036       57.97541 448.7487       82.23983 354.2328       81.74167 60.69836 5.600192 53.88201 6.270432 6.816357       8.407167 
1 1 1 -14 22 6  o 213.9476 4.687235 5566.903       242.6199 5566.903       242.6199 0.000000       0.000000 213.9476 4.687235 ?        ?        ?              ?        
1 1 1 -14 22 7  o 70.47734 3.711753 613.5225       62.34881 504.2137       89.60294 716.1287       86.81233 64.25463 5.763888 76.70006 4.678250 -12.44543      7.423506 
1 1 1 -14 22 8  o 164.2466 2.955822 3274.353       117.2633 3434.385       171.9775 3135.304       160.3076 167.9748 4.231800 160.5183 4.127882 7.456528       5.911644 
1 1 1 -14 22 9  o 29.11570 6.388456 97.28103       53.78564 163.5483       77.65941 36.19154       74.56375 35.49453 9.023601 22.73687 9.045670 12.75766       12.77691 
1 1 1 -14 22 10 o 38.75874 6.304515 197.1020       58.01356 173.0546       83.59473 219.4438       80.57566 36.33929 9.427578 41.17818 8.373076 -4.838894      12.60903 
1 1 1 -14 22 11 o 100.2627 3.145072 1227.145       76.17645 1299.739       111.4688 1163.535       104.3434 103.0303 4.471836 97.49512 4.423640 5.535233       6.290143 
1 1 1 -14 22 12 o 82.02403 3.325457 807.1193       65.19524 982.2840       101.7290 685.0338       84.92854 89.39453 4.703614 74.65354 4.702198 14.74099       6.650913 
1 1 1 -14 22 13 o 77.48759 3.646546 730.4563       67.75585 860.1628       104.2145 635.4830       89.17599 83.33691 5.168784 71.63828 5.145179 11.69863       7.293092 
1 1 1 -14 22 14 o 56.21362 4.777684 399.5299       64.71288 453.0594       94.98520 353.1608       88.40440 59.78454 6.566966 52.64268 6.941184 7.141857       9.555368 
1 1 1 -14 22 15 f 54.52062 5.054373 381.4931       66.35390 432.4490       99.32176 340.4181       89.17357 57.80114 7.102409 51.24010 7.193230 6.561047       10.10875 
1 1 1 -14 22 16 o 97.13927 3.374671 1189.642       79.14331 1159.982       114.7532 1216.548       109.2971 95.83932 4.949015 98.43922 4.589213 -2.599899      6.749342 
1 1 1 -14 22 17 o 47.10481 6.044577 293.9608       65.21612 484.1401       108.2607 185.6396       81.70447 59.30666 7.545103 34.90296 9.445585 24.40369       12.08915 
1 1 1 -14 24 1  o 44.63547 5.215148 246.2760       54.35746 309.0071       81.35448 195.6858       73.05899 50.15506 6.704469 39.11588 7.990068 11.03919       10.43030 
1 1 1 -14 24 2  o 122.3864 2.911367 1813.056       85.97737 1985.490       126.8922 1666.705       116.9020 127.7399 4.105875 117.0329 4.128684 10.70699       5.822735 
1 1 1 -14 24 3  o 67.78581 3.820251 558.9038       62.48280 616.7853       91.92637 509.1992       85.18612 71.03869 5.348633 64.53294 5.456134 6.505745       7.640502 
1 1 1 -14 24 4  o 222.3958 3.392108 6020.929       182.2431 6316.997       266.7924 5761.926       249.5337 227.4878 4.847447 217.3037 4.746350 10.18405       6.784215 
1 1 1 -14 24 5  o 93.71456 3.166577 1066.455       71.60699 1178.034       105.0880 969.7454       97.83566 98.27962 4.419645 89.14951 4.536030 9.130112       6.333153 
1 1 1 -14 24 6  o 221.8009 3.401548 5973.930       181.7933 6481.688       272.5219 5566.821       244.0217 230.1928 4.893363 213.4090 4.726214 16.78380       6.803095 
1 1 1 -14 24 7  o 116.1940 2.964156 1623.047       82.66315 1865.977       126.9107 1444.037       108.9424 123.6171 4.243432 108.7709 4.139827 14.84628       5.928312 
1 1 1 -14 24 8  o 112.5078 3.114527 1531.187       84.23236 1709.316       128.3079 1396.273       111.6639 118.1683 4.487971 106.8473 4.319634 11.32103       6.229055 
1 1 1 -14 24 9  o 75.85960 3.720465 710.7852       67.81845 693.2905       101.2615 725.0153       91.32575 74.92292 5.586339 76.79628 4.915308 -1.873360      7.440930 
1 1 1 -14 24 10 f 48.34805 5.544019 299.8883       60.38248 450.4749       90.42780 178.7168       81.11648 60.12608 6.216369 36.57001 9.181576 23.55606       11.08804 
1 1 1 -14 24 11 o 75.71605 3.734184 706.4152       68.16574 777.5242       101.5468 648.0918       91.96562 79.15248 5.302727 72.27962 5.259051 6.872864       7.468369 
1 1 1 -14 24 12 o 125.5478 3.102909 1929.765       93.58403 2092.055       142.9423 1808.019       123.8063 130.0313 4.543710 121.0643 4.226921 8.966965       6.205817 
1 1 1 -14 24 13 o 61.61656 6.348930 484.0453       94.64557 0.000000       0.000000 484.0453       94.64557 ?        ?        61.61656 6.348930 ?              ?        
1 1 1 -14 24 14 o 82.25729 3.599804 857.7133       71.23911 799.1494       103.8368 909.7911       97.91814 79.37451 5.407143 85.14006 4.753646 -5.765549      7.199608 
1 1 1 -14 24 15 o 61.76770 5.268791 530.5229       75.35709 654.8545       103.3244 389.2366       110.1443 70.87057 6.026076 52.66484 8.644480 18.20573       10.53758 
1 1 1 -14 24 16 o 22.60982 7.002266 36.39353       73.00501 25.58278       100.3291 48.55909       106.4302 21.83426 9.651620 23.38537 10.14757 -1.551111      14.00453 
1 1 1 -14 26 1  o 93.08482 3.221832 1061.023       72.43959 1068.813       105.6641 1054.114       99.50336 93.37577 4.677254 92.79388 4.432167 0.5818939      6.443664 
1 1 1 -14 26 2  o 90.53447 3.283648 1000.476       71.63887 1049.923       107.0978 960.4358       96.37397 92.51392 4.784880 88.55503 4.498257 3.958885       6.567297 
1 1 1 -14 26 3  o 81.80717 3.511001 820.7107       69.37347 845.8636       101.6502 798.7811       94.91365 82.95305 5.064933 80.66131 4.863636 2.291740       7.022001 
1 1 1 -14 26 4  o 58.24320 4.447753 420.7145       62.40612 424.2337       92.77016 417.8057       84.34184 58.39946 6.565944 58.08694 6.001534 0.3125153      8.895506 
1 1 1 -14 26 5  o 37.89793 6.711349 189.5616       61.37107 218.0790       91.23746 165.9962       82.93850 40.46620 9.484499 35.32965 9.498057 5.136551       13.42270 
1 1 1 -14 26 6  o 111.7175 4.658170 1534.420       125.9039 1534.420       125.9039 0.000000       0.000000 111.7175 4.658170 ?        ?        ?              ?        
1 1 1 -14 26 7  o 29.84920 7.050067 113.2944       61.02724 80.14453       91.67476 139.6752       81.78120 27.29325 10.24755 32.40514 9.685120 -5.111889      14.10013 
1 1 1 -14 26 8  o 43.49791 8.669913 276.5525       105.5003 398.8102       140.2813 117.3706       160.0694 53.63300 11.17364 33.36282 13.25969 20.27018       17.33983 
1 1 1 -14 26 9  o 109.4043 3.176322 1477.387       84.00169 1565.815       120.6686 1394.242       117.0085 112.6094 4.429119 106.1992 4.554008 6.410179       6.352644 
1 1 1 -14 26 10 o 94.94020 3.420451 1114.172       78.30037 1241.319       115.9661 1007.638       106.1507 99.90742 4.797675 89.97298 4.876502 9.934441       6.840903 
1 1 1 -14 26 11 o 26.25007 7.177886 73.00144       65.40115 107.4387       96.73941 44.01242       88.75761 28.86854 10.58435 23.63160 9.698443 5.236937       14.35577 
1 1 1 -14 26 12 o 42.10895 6.423678 251.7463       65.37559 176.1277       91.91897 329.1549       93.00061 34.54799 10.25480 49.66990 7.739095 -15.12191      12.84736 
1 1 1 -14 26 13 f 37.61818 7.353075 219.8268       69.77599 245.9906       96.44293 191.0886       101.0764 40.36066 9.941840 34.87569 10.83654 5.484962       14.70615 
1 1 1 -14 26 14 o 58.59137 6.109423 521.0558       78.63467 627.1660       104.1482 380.3610       119.9258 68.39398 6.294072 48.78875 10.47305 19.60523       12.21885 
1 1 1 -14 28 1  o 110.6660 3.199281 1512.197       85.62420 1483.461       122.0042 1540.089       120.1978 109.5917 4.601450 111.7403 4.446151 -2.148590      6.398563 
1 1 1 -14 28 2  o 96.64760 3.304923 1155.956       77.16840 1123.108       111.0787 1186.599       107.2853 95.25327 4.820017 98.04194 4.522996 -2.788673      6.609845 
1 1 1 -14 28 3  o 22.04528 6.551230 15.62394       61.03237 -28.46016      91.16575 51.42908       82.16057 20.02476 9.002213 24.06580 9.520224 -4.041042      13.10246 
1 1 1 -14 28 4  o 90.19579 3.481253 1007.788       75.77877 1035.167       111.7353 984.4700       103.1175 91.26356 5.060466 89.12801 4.782068 2.135551       6.962506 
1 1 1 -14 28 5  o 50.33499 5.592993 336.5463       65.13524 272.8946       93.78868 395.8492       90.52811 44.87191 8.952998 55.79807 6.705976 -10.92616      11.18599 
1 1 1 -14 28 6  f 25.49674 7.563301 43.25689       72.14032 43.15289       138.0882 43.29593       84.60352 27.53718 11.74761 23.45631 9.529311 4.080873       15.12660 
1 1 1 -14 28 7  o 33.31526 7.284117 156.3293       65.09267 177.8514       92.13625 134.8828       91.97387 35.36304 10.20363 31.26748 10.39804 4.095564       14.56823 
1 1 1 -14 28 8  o 24.11625 6.904899 43.64041       65.23286 -6.864790      93.37313 91.79317       91.17262 20.94876 9.283065 27.28373 10.22425 -6.334970      13.80980 
1 1 1 -14 28 9  o 65.22449 4.548505 551.3978       71.46038 613.5212       101.8553 491.1771       100.2835 69.06558 6.095647 61.38340 6.752680 7.682186       9.097011 
1 1 1 -14 28 10 o 32.04486 7.079535 152.5112       66.94902 223.1707       91.03598 69.28484       98.80032 38.77140 9.722654 25.31832 10.29316 13.45308       14.15907 
1 1 1 -14 28 11 o 73.35623 4.545574 707.8259       79.67723 667.8732       103.7650 765.2269       124.3762 71.27068 6.017797 75.44179 6.814329 -4.171104      9.091147 
1 1 1 -14 28 12 o 26.22705 8.475791 58.57256       119.9637 51.25520       165.0956 66.75788       174.6128 25.82024 11.80633 26.63386 12.16415 -0.8136234     16.95158 
1 1 1 -13 1  1  o 647.3853 9.879916 50978.86       1458.004 51064.84       2528.020 50936.01       1784.736 647.1519 16.14626 647.6186 11.39075 -0.4667358     19.75983 
1 1 1 -13 1  2  o 416.6042 6.078066 21387.78       543.8765 21811.25       639.8808 20285.54       1032.340 424.3755 6.232274 408.8329 10.43697 15.54254       12.15613 
1 1 1 -13 1  4  o 506.3186 7.344264 31156.74       781.0729 31216.03       903.6350 30981.56       1553.260 507.6278 7.357755 505.0094 12.71284 2.618469       14.68853 
1 1 1 -13 1  5  o 356.7119 5.327552 15425.05       398.6696 15438.94       460.7680 15383.70       795.1484 357.1406 5.332622 356.2833 9.224662 0.8572998      10.65510 
1 1 1 -13 1  6  o 246.2287 3.900073 7405.741       203.5663 7480.204       237.0971 7196.906       397.0603 248.6360 3.941486 243.8214 6.731044 4.814621       7.800146 
1 1 1 -13 1  7  o 597.9614 8.634713 43106.41       1072.481 42886.56       1231.767 43795.36       2180.538 595.1300 8.554893 600.7928 15.00156 -5.662842      17.26943 
1 1 1 -13 1  9  o 302.7296 4.040414 11032.80       294.7231 10475.24       395.8225 11726.52       441.5138 294.1962 5.561105 311.2630 5.862926 -17.06686      8.080829 
1 1 1 -13 1  10 o 259.9009 5.111161 8176.247       321.3880 8176.247       321.3880 0.000000       0.000000 259.9009 5.111161 ?        ?        ?              ?        
1 1 1 -13 3  1  o 161.9383 2.549907 3163.515       99.73133 3003.568       136.2694 3348.007       146.3526 157.5447 3.575133 166.3319 3.636828 -8.787170      5.099813 
1 1 1 -13 3  2  o 483.2307 6.093679 28306.10       712.4194 28351.95       1008.536 28260.44       1006.494 483.6210 8.619536 482.8403 8.615991 0.7807007      12.18736 
1 1 1 -13 3  3  o 244.6999 3.379709 7247.790       200.0849 7243.052       282.5964 7252.552       283.3305 244.6199 4.774992 244.7800 4.784265 -0.1600647     6.759418 
1 1 1 -13 3  4  o 260.0032 3.543060 8181.150       222.8494 8099.219       312.3406 8266.105       318.0503 258.6781 4.990758 261.3284 5.030451 -2.650238      7.086121 
1 1 1 -13 3  5  o 333.9323 4.360247 13498.73       352.2582 13437.78       496.0666 13560.73       500.2970 333.1723 6.154160 334.6922 6.178457 -1.519836      8.720493 
1 1 1 -13 3  7  o 391.0284 5.014307 18508.43       474.3710 18559.33       672.5122 18458.03       669.2236 391.5632 7.098980 390.4937 7.083615 1.069550       10.02861 
1 1 1 -13 3  8  o 270.5029 3.659125 8848.227       239.3455 8659.583       332.0279 9052.296       345.3356 267.5046 5.130280 273.5012 5.218909 -5.996643      7.318250 
1 1 1 -13 3  9  o 410.6971 5.249502 20422.54       521.5802 20553.22       742.0607 20294.94       733.2695 411.9945 7.444675 409.3998 7.403100 2.594635       10.49900 
1 1 1 -13 3  10 o 750.2667 9.330786 68364.43       1692.809 67126.04       2348.692 69703.19       2442.021 743.2355 13.06163 757.2980 13.32847 -14.06244      18.66157 
1 1 1 -13 3  11 o 262.1266 5.059305 8325.629       320.7439 8168.947       446.5809 8492.564       460.9615 259.5843 7.110817 264.6690 7.198786 -5.084747      10.11861 
1 1 1 -13 3  12 o 41.56148 2.765018 208.8361       27.74399 213.5634       40.77026 204.7591       37.86274 41.99793 4.012484 41.12502 3.805429 0.8729057      5.530037 
1 1 1 -13 3  13 o 153.3781 3.523272 2848.270       130.7410 2848.270       130.7410 0.000000       0.000000 153.3781 3.523272 ?        ?        ?              ?        
1 1 1 -13 5  1  o 497.5368 6.266623 29954.28       753.3759 30885.27       1099.151 29129.36       1034.642 504.8024 8.999814 490.2713 8.722705 14.53107       12.53325 
1 1 1 -13 5  2  f 239.5351 3.338328 6942.550       193.4311 7040.650       276.6980 6848.787       270.5126 241.1891 4.741830 237.8812 4.700295 3.307907       6.676655 
1 1 1 -13 5  3  o 423.6595 5.394176 21737.42       552.8608 21581.71       776.4916 21897.51       787.3478 422.1227 7.603189 425.1964 7.653759 -3.073700      10.78835 
1 1 1 -13 5  4  o 715.1745 10.88282 61908.23       1764.616 61472.39       2145.396 62819.75       3102.637 711.8368 12.45733 718.5122 17.84821 -6.675415      21.76565 
1 1 1 -13 5  5  o 696.9252 8.629298 58885.36       1454.904 59293.71       2072.135 58488.31       2043.259 699.3022 12.24760 694.5481 12.15959 4.754150       17.25860 
1 1 1 -13 5  6  o 536.1904 6.719266 34819.74       871.6504 34861.58       1234.152 34778.10       1231.252 536.5114 9.507964 535.8694 9.496986 0.6420288      13.43853 
1 1 1 -13 5  7  o 745.2485 9.210014 67336.86       1660.542 67047.72       2337.219 67631.57       2359.664 743.6376 12.99080 746.8595 13.05897 -3.221863      18.42003 
1 1 1 -13 5  8  o 266.5387 3.627611 8597.285       233.9247 8563.904       329.6720 8631.134       331.9791 266.0178 5.122347 267.0596 5.138073 -1.041809      7.255221 
1 1 1 -13 5  9  o 662.9290 8.234702 53303.80       1320.644 53677.35       1881.320 52940.90       1854.317 665.2116 11.68963 660.6462 11.60146 4.565369       16.46940 
1 1 1 -13 5  10 o 776.1039 9.625864 73313.39       1807.359 73684.52       2569.861 72950.18       2542.343 778.0333 13.65240 774.1744 13.57354 3.858887       19.25173 
1 1 1 -13 5  11 o 444.3857 5.663367 23959.15       608.8102 23708.15       852.7631 24220.06       869.4549 442.0185 7.974173 446.7530 8.044097 -4.734467      11.32673 
1 1 1 -13 5  12 o 337.8593 4.427308 13841.98       361.8894 13813.99       510.8402 13870.18       512.7430 337.5172 6.255858 338.2015 6.266455 -0.6843567     8.854616 
1 1 1 -13 5  13 o 149.1558 2.453450 2690.187       88.47696 2593.028       122.4734 2796.242       127.9574 146.3431 3.459131 151.9686 3.480241 -5.625443      4.906900 
1 1 1 -13 5  14 f 57.32510 3.005111 397.8760       41.65250 418.0845       59.69573 378.7032       58.14591 58.74367 4.200296 55.90654 4.298869 2.837132       6.010222 
1 1 1 -13 5  15 o 147.3711 3.450306 2625.949       122.8245 2488.995       168.0848 2782.867       179.9186 143.2627 4.849455 151.4795 4.909302 -8.216827      6.900613 
1 1 1 -13 5  16 o 144.5567 3.398043 2533.696       118.7706 2454.491       164.5359 2619.869       171.6220 142.2029 4.782447 146.9106 4.828560 -4.707718      6.796086 
1 1 1 -13 7  1  f 508.1746 6.389495 31273.36       785.3835 30897.91       1096.657 31668.67       1125.296 505.0491 8.975013 511.3001 9.096799 -6.251038      12.77899 
1 1 1 -13 7  2  o 173.4068 2.718236 3614.885       113.6437 3934.126       169.5092 3354.242       153.1639 180.3157 3.885594 166.4980 3.802289 13.81773       5.436473 
1 1 1 -13 7  3  o 591.8402 7.380213 42423.67       1056.373 43113.13       1518.793 41777.57       1470.262 596.4879 10.52434 587.1925 10.34933 9.295410       14.76043 
1 1 1 -13 7  4  o 421.0654 5.372656 21464.03       547.3116 21397.78       771.5386 21531.14       776.5165 420.4119 7.585433 421.7188 7.610713 -1.306915      10.74531 
1 1 1 -13 7  5  o 450.6846 5.718359 24588.80       623.4526 24785.40       889.2188 24398.72       874.3592 452.4545 8.123280 448.9146 8.050517 3.539856       11.43672 
1 1 1 -13 7  6  f 1179.266 20.60980 170106.8       5877.853 172873.3       8455.083 167519.3       8176.971 1188.420 29.40666 1170.113 28.88433 18.30640       41.21961 
1 1 1 -13 7  7  o 263.2968 3.605978 8387.404       229.6658 8501.082       328.5308 8278.751       321.1866 265.0406 5.123436 261.5528 5.075697 3.487823       7.211956 
1 1 1 -13 7  8  o 257.5397 3.546905 8024.772       220.9535 8140.897       316.5291 7914.411       308.5737 259.3557 5.044471 255.7238 4.987529 3.631805       7.093810 
1 1 1 -13 7  9  o 359.4584 4.671588 15641.79       406.0990 15361.50       564.4614 15942.53       584.6943 356.1260 6.551311 362.7907 6.661475 -6.664703      9.343176 
1 1 1 -13 7  10 o 219.4122 3.148423 5828.481       167.1257 5799.486       235.2505 5858.025       237.4680 218.8618 4.442817 219.9627 4.462248 -1.100967      6.296846 
1 1 1 -13 7  11 o 49.80287 2.526791 298.8150       30.35608 269.5948       41.46212 332.5733       44.56567 47.19078 3.631551 52.41497 3.514332 -5.224194      5.053582 
1 1 1 -13 7  12 o 176.8848 2.748174 3786.678       117.5715 3879.404       168.8470 3699.402       163.8099 178.9850 3.899189 174.7845 3.873780 4.200516       5.496348 
1 1 1 -13 7  13 o 238.6792 3.348916 6903.755       193.3820 6925.947       274.2887 6881.823       272.6854 239.0600 4.742405 238.2984 4.729752 0.7615662      6.697833 
1 1 1 -13 7  14 o 305.0732 4.069731 11291.12       300.3187 11444.40       430.0482 11145.22       419.5751 307.0880 5.788313 303.0584 5.722437 4.029510       8.139462 
1 1 1 -13 7  15 o 149.0023 2.488874 2689.423       89.71684 2654.233       126.1568 2725.430       127.6133 148.0161 3.522893 149.9885 3.516703 -1.972443      4.977748 
1 1 1 -13 7  16 o 47.14865 3.607256 276.3724       39.81239 354.0750       56.09433 197.5015       56.51445 54.01246 4.292623 40.28484 5.798499 13.72762       7.214513 
1 1 1 -13 7  17 o 32.37640 4.430683 132.2031       33.42257 128.1380       46.10735 136.7043       48.51805 31.85008 6.206612 32.90271 6.324694 -1.052633      8.861365 
1 1 1 -13 7  18 o 88.14893 2.889775 945.8320       61.60370 914.2178       85.75974 979.5360       88.54877 86.62751 4.091903 89.67036 4.081609 -3.042847      5.779550 
1 1 1 -13 7  19 o 73.86322 2.708347 664.0833       48.31247 611.8977       66.59337 722.0702       70.19729 70.79795 3.887836 76.92849 3.771645 -6.130539      5.416694 
1 1 1 -13 9  1  o 345.4509 4.523592 14358.70       376.4368 15329.22       565.0893 13584.42       504.7329 355.8788 6.563155 335.0231 6.227082 20.85574       9.047185 
1 1 1 -13 9  2  o 165.9672 2.701808 3322.278       108.3017 3153.885       147.9826 3516.496       158.9256 161.4530 3.788456 170.4814 3.853137 -9.028366      5.403616 
1 1 1 -13 9  3  o 362.2634 4.707828 15884.10       412.6089 15818.50       581.2719 15950.72       585.7884 361.5099 6.645946 363.0169 6.669781 -1.507050      9.415656 
1 1 1 -13 9  4  o 301.4969 4.038180 10970.46       294.0011 10529.05       401.0319 11483.35       432.2855 294.9606 5.619693 308.0332 5.800572 -13.07260      8.076360 
1 1 1 -13 9  5  o 388.8427 5.009050 18303.67       471.2237 18361.99       668.2579 18246.00       664.5793 389.4583 7.092196 388.2270 7.075528 1.231384       10.01810 
1 1 1 -13 9  6  o 541.2333 6.782217 35489.54       888.0673 35652.94       1261.718 35329.10       1250.196 542.4661 9.613627 540.0006 9.569327 2.465454       13.56443 
1 1 1 -13 9  7  o 221.2057 3.193678 5920.848       170.9011 5863.301       239.6037 5980.444       243.8331 220.1121 4.499326 222.2993 4.533696 -2.187225      6.387357 
1 1 1 -13 9  8  o 434.6030 5.536340 22873.43       581.7603 22402.69       805.6705 23386.28       840.9280 429.9434 7.745400 439.2626 7.912838 -9.319183      11.07268 
1 1 1 -13 9  9  o 123.6398 2.373989 1847.518       70.96136 1778.688       98.12455 1922.981       102.7438 121.2294 3.345550 126.0503 3.369064 -4.820938      4.747978 
1 1 1 -13 9  10 o 168.8858 2.703230 3448.981       110.3772 3344.111       152.6712 3563.822       159.7642 166.2002 3.796848 171.5713 3.848864 -5.371048      5.406459 
1 1 1 -13 9  11 o 141.8583 2.502939 2436.410       85.89700 2438.666       120.8085 2434.104       122.1561 141.9254 3.518320 141.7912 3.560932 0.1342316      5.005877 
1 1 1 -13 9  12 o 135.9826 2.483730 2238.140       81.69649 2286.219       116.9398 2192.302       114.1821 137.4084 3.517604 134.5568 3.507437 2.851578       4.967459 
1 1 1 -13 9  13 o 41.17843 3.340917 204.9488       33.23664 218.8031       48.49789 192.6794       45.63962 42.48701 4.718070 39.86985 4.731460 2.617168       6.681833 
1 1 1 -13 9  14 o 240.6230 3.394038 7009.949       197.3650 7256.787       287.5225 6790.006       271.4066 244.6147 4.858328 236.6312 4.740740 7.983566       6.788075 
1 1 1 -13 9  15 o 503.0441 6.404439 30909.91       777.9822 32130.67       1143.261 29857.08       1061.724 512.1587 9.226536 493.9295 8.884729 18.22916       12.80888 
1 1 1 -13 9  16 o 166.3925 2.669135 3357.996       107.4208 3432.711       154.1219 3287.410       149.8022 168.1898 3.787585 164.5952 3.761826 3.594589       5.338271 
1 1 1 -13 9  17 o 167.5950 2.669745 3413.750       108.2386 3443.419       154.4936 3385.148       151.6899 168.3061 3.794096 166.8838 3.756991 1.422241       5.339489 
1 1 1 -13 9  18 o 60.68994 2.516543 396.3982       30.49489 361.5826       33.88123 544.9138       69.97749 54.58111 2.565751 66.79877 4.329997 -12.21767      5.033085 
1 1 1 -13 9  19 o 99.92780 3.165961 1222.390       76.42026 1183.343       104.5941 1267.103       111.9273 98.24294 4.400516 101.6127 4.552876 -3.369713      6.331921 
1 1 1 -13 9  20 o 34.87391 4.393736 151.5399       35.51158 104.2832       46.90721 214.9911       54.35347 28.17542 6.929346 41.57240 5.404058 -13.39698      8.787472 
1 1 1 -13 9  21 o 32.06479 4.049878 132.3164       30.20484 96.39500       41.59307 172.3974       43.93527 26.97311 6.459063 37.15647 4.887385 -10.18336      8.099755 
1 1 1 -13 11 1  o 821.9435 10.15631 81641.85       2012.548 78104.03       2713.006 85970.91       3001.096 802.2977 13.97696 841.5893 14.73932 -39.29163      20.31263 
1 1 1 -13 11 2  o 370.1885 5.907448 16471.34       494.0256 16253.04       597.6504 16942.30       877.8452 366.4162 6.741712 373.9607 9.702633 -7.544495      11.81490 
1 1 1 -13 11 3  o 619.2116 9.303227 47262.16       1366.365 41975.02       2078.134 51288.30       1813.458 588.0089 14.60789 650.4143 11.52432 -62.40540      18.60645 
1 1 1 -13 11 4  o 425.8134 6.633422 22191.84       654.3014 22773.96       820.9055 21177.87       1083.432 433.6514 7.824384 417.9755 10.71392 15.67590       13.26684 
1 1 1 -13 11 5  o 485.1331 7.591984 27970.56       817.8892 27145.90       972.0138 29970.26       1513.618 473.3526 8.487609 496.9136 12.59021 -23.56107      15.18397 
1 1 1 -13 11 6  o 57.68441 6.335361 402.9744       88.41625 0.000000       0.000000 402.9744       88.41625 ?        ?        57.68441 6.335361 ?              ?        
1 1 1 -13 11 7  o 197.9355 3.674639 4805.308       167.2712 4950.083       208.3151 4542.534       280.6484 202.2193 4.257905 193.6516 5.990170 8.567703       7.349278 
1 1 1 -13 11 8  o 214.6868 6.282330 5585.961       326.3086 5585.961       326.3086 0.000000       0.000000 214.6868 6.282330 ?        ?        ?              ?        
1 1 1 -13 11 9  f 141.5545 3.102570 2355.809       97.92150 2251.842       116.3701 2607.971       181.2320 136.3885 3.526642 146.7205 5.105542 -10.33192      6.205140 
1 1 1 -13 11 10 o 170.6703 3.377823 3551.477       131.8142 3598.941       162.4041 3459.845       225.6503 172.3963 3.893738 168.9443 5.520649 3.451996       6.755646 
1 1 1 -13 11 11 o 302.5703 4.967096 11222.88       346.9325 11484.09       433.1652 10755.50       579.4127 307.7094 5.818491 297.4312 8.051916 10.27829       9.934193 
1 1 1 -13 11 12 o 63.75088 3.526991 479.4469       50.34428 459.1013       60.05587 527.5432       92.33696 61.56121 4.032237 65.94055 5.787895 -4.379341      7.053982 
1 1 1 -13 11 13 o 121.4120 3.047684 1766.399       83.86655 1844.140       148.5934 1730.058       101.5949 123.3108 4.980765 119.5131 3.513614 3.797722       6.095367 
1 1 1 -13 11 14 o 142.1774 5.266284 2454.491       181.1495 2454.491       181.1495 0.000000       0.000000 142.1774 5.266284 ?        ?        ?              ?        
1 1 1 -13 11 15 o 219.4588 4.520400 5849.649       240.0116 0.000000       0.000000 5849.649       240.0116 ?        ?        219.4588 4.520400 ?              ?        
1 1 1 -13 11 16 o 81.74363 2.478867 806.0899       48.66436 851.8936       74.21719 771.5440       64.45443 83.75439 3.662643 79.73287 3.341281 4.021515       4.957733 
1 1 1 -13 11 17 o 32.14215 4.319726 129.7118       31.92511 138.9326       50.13666 123.4233       41.40414 33.03203 6.505102 31.25227 5.685401 1.779766       8.639453 
1 1 1 -13 11 18 o 35.00103 3.650809 150.2034       30.61208 153.6802       46.90008 147.6228       40.40617 35.31599 5.489085 34.68607 4.814932 0.6299133      7.301618 
1 1 1 -13 11 19 o 84.80296 2.332382 878.8374       47.76738 817.8810       67.50813 939.9572       67.59850 81.82848 3.409961 87.77745 3.183111 -5.948975      4.664764 
1 1 1 -13 11 20 o 44.34602 3.798810 241.4777       29.08498 239.6102       31.53553 252.1118       75.25354 44.28417 2.943400 44.40786 7.004300 -0.1236916     7.597620 
1 1 1 -13 13 1  o 598.6929 7.496436 43426.91       1084.482 42213.70       1489.696 44794.83       1581.826 589.8391 10.43907 607.5467 10.76160 -17.70758      14.99287 
1 1 1 -13 13 2  o 345.9525 4.560316 14477.76       381.3869 14917.23       553.0358 14079.22       526.6558 350.9485 6.513397 340.9565 6.384480 9.991974       9.120631 
1 1 1 -13 13 3  o 579.9838 7.274857 40775.59       1019.755 41880.72       1483.004 39784.37       1404.500 587.4017 10.43529 572.5659 10.13898 14.83575       14.54971 
1 1 1 -13 13 4  o 182.8561 2.908238 4043.900       128.6059 4168.170       185.1120 3927.955       178.8043 185.5691 4.123125 180.1431 4.102589 5.426071       5.816476 
1 1 1 -13 13 5  o 463.7565 5.903473 26089.29       662.3224 25894.17       930.0171 26290.10       943.4584 462.0017 8.320415 465.5113 8.377032 -3.509552      11.80695 
1 1 1 -13 13 6  o 308.2903 4.134148 11513.65       308.2957 11635.98       441.1002 11396.83       431.0648 309.8875 5.883432 306.6930 5.809470 3.194580       8.268296 
1 1 1 -13 13 7  o 267.4447 3.685438 8665.049       238.4552 8708.040       339.1022 8622.995       335.3817 268.0997 5.227957 266.7897 5.195986 1.309967       7.370875 
1 1 1 -13 13 8  o 197.5379 2.999120 4724.341       143.3061 4794.750       205.1180 4657.202       200.2986 198.9742 4.260933 196.1015 4.221770 2.872681       5.998241 
1 1 1 -13 13 9  o 262.7449 3.639250 8367.003       231.3388 8363.724       327.0417 8370.287       327.2833 262.6935 5.145784 262.7964 5.147569 -0.1028748     7.278500 
1 1 1 -13 13 10 o 212.6780 3.152509 5476.653       162.1451 5610.247       233.4284 5352.093       225.3980 215.1806 4.483821 210.1754 4.432673 5.005188       6.305017 
1 1 1 -13 13 11 o 91.17982 2.607510 1006.698       57.51123 1020.003       82.26620 993.9789       80.43116 91.76841 3.705322 90.59123 3.669744 1.177177       5.215020 
1 1 1 -13 13 12 o 162.1330 2.761255 3184.318       108.2985 3227.820       154.7086 3142.519       151.6517 163.2177 3.917823 161.0483 3.892143 2.169388       5.522510 
1 1 1 -13 13 13 o 234.1791 3.393449 6645.222       192.0764 6453.338       264.6645 6858.748       279.1915 230.6208 4.743458 237.7375 4.854028 -7.116699      6.786898 
1 1 1 -13 13 14 o 211.8418 4.510615 5449.831       231.1797 5449.831       231.1797 0.000000       0.000000 211.8418 4.510615 ?        ?        ?              ?        
1 1 1 -13 13 15 o 188.8114 2.970999 4296.680       135.0075 4691.384       204.0886 3989.563       180.0262 196.4360 4.294331 181.1867 4.106832 15.24927       5.941998 
1 1 1 -13 13 16 o 86.78680 2.628285 913.6699       54.67337 935.2745       83.62030 897.5377       72.25787 87.64960 3.943296 85.92401 3.475909 1.725594       5.256570 
1 1 1 -13 13 17 o 47.20964 3.583243 255.3598       39.43300 349.1693       67.73546 207.2676       48.49872 53.30547 5.252209 41.11381 4.875737 12.19167       7.166485 
1 1 1 -13 13 18 o 23.99554 5.431128 70.98884       34.61104 73.26859       58.33787 69.75051       42.99552 24.57804 8.282166 23.41304 7.028109 1.165001       10.86226 
1 1 1 -13 13 19 o 17.25975 4.962476 18.86080       31.89004 1.380203       54.92003 27.75286       39.17002 17.12167 7.359025 17.39784 6.659537 -0.2761745     9.924953 
1 1 1 -13 13 20 o 37.87930 4.407619 192.5363       37.42890 157.7945       59.50123 215.2852       48.14814 34.24570 7.397729 41.51290 4.793957 -7.267200      8.815238 
1 1 1 -13 15 1  f 190.7191 2.996384 4404.010       138.2576 4418.825       196.1100 4389.370       194.9467 191.0378 4.243050 190.4005 4.231997 0.6373138      5.992769 
1 1 1 -13 15 2  f 88.78590 2.732363 950.4270       58.57251 882.5539       79.99146 1028.885       86.00292 85.38224 3.872342 92.18956 3.855930 -6.807320      5.464726 
1 1 1 -13 15 3  o 423.0895 5.441681 21709.53       556.7899 22149.95       801.4411 21298.64       774.1097 427.2248 7.753769 418.9543 7.637189 8.270477       10.88336 
1 1 1 -13 15 4  o 80.40861 3.969459 782.8230       77.22112 0.000000       0.000000 782.8230       77.22112 ?        ?        80.40861 3.969459 ?              ?        
1 1 1 -13 15 5  o 120.0743 2.617764 1745.533       76.04654 1755.127       107.7536 1736.012       107.3397 120.4031 3.699062 119.7455 3.705090 0.6575928      5.235528 
1 1 1 -13 15 6  o 281.6899 3.859492 9615.763       262.9954 9497.961       368.3417 9738.271       375.6288 279.9323 5.438704 283.4476 5.477518 -3.515228      7.718984 
1 1 1 -13 15 7  o 242.8703 3.466881 7147.144       203.6974 7208.680       290.1647 7087.351       286.0233 243.8997 4.917349 241.8409 4.888429 2.058746       6.933763 
1 1 1 -13 15 8  o 284.4429 3.892158 9809.939       267.8328 9739.398       376.3670 9882.313       381.2253 283.4089 5.489032 285.4769 5.519611 -2.067963      7.784316 
1 1 1 -13 15 9  o 307.1261 4.130332 11441.33       306.8478 11585.57       439.1143 11303.69       428.9605 309.0122 5.873535 305.2399 5.808630 3.772278       8.260665 
1 1 1 -13 15 10 o 97.86452 2.690905 1159.359       63.67851 1214.052       91.30830 1107.571       88.85197 100.1113 3.769859 95.61777 3.840839 4.493477       5.381810 
1 1 1 -13 15 11 o 58.40616 3.451454 416.1035       48.49363 376.3613       69.91675 452.9461       67.31777 55.69330 5.188908 61.11901 4.552512 -5.425709      6.902908 
1 1 1 -13 15 12 o 211.2744 3.195529 5411.771       163.2682 5548.617       235.1986 5284.500       226.8214 213.8466 4.546008 208.7023 4.492153 5.144287       6.391058 
1 1 1 -13 15 13 o 44.32384 4.265645 241.6440       45.14890 223.0654       67.99475 256.2951       60.38147 42.75542 6.573277 45.89226 5.438285 -3.136837      8.531290 
1 1 1 -13 15 14 o 154.3651 2.762113 2883.669       102.8878 3046.648       152.3479 2747.003       139.5090 158.3477 3.976698 150.3826 3.834444 7.965057       5.524227 
1 1 1 -13 15 15 o 48.93085 3.930135 294.0180       46.36837 282.6315       67.59442 304.1384       63.72598 48.00431 5.820071 49.85739 5.283048 -1.853077      7.860269 
1 1 1 -13 15 16 o 74.13206 2.940772 670.8909       52.08896 673.5596       80.27950 668.9504       68.45518 74.20361 4.471748 74.06052 3.820475 0.1430969      5.881544 
1 1 1 -13 15 17 o 100.2772 2.713403 1223.254       65.28122 1277.231       99.80717 1182.896       86.30161 102.1425 4.038805 98.41178 3.624678 3.730751       5.426807 
1 1 1 -13 15 18 o 106.7416 2.682013 1372.857       68.33349 1549.106       107.8311 1254.579       88.33500 112.2929 3.969079 101.1903 3.608210 11.10260       5.364026 
1 1 1 -13 15 19 o 45.38826 5.190689 271.5983       54.89977 281.6745       73.06894 258.5366       83.19242 46.98206 6.428334 43.79446 8.151657 3.187607       10.38138 
1 1 1 -13 15 20 o 22.13640 6.698279 25.17517       63.20929 35.78822       96.67991 17.25164       83.53640 23.25249 9.872328 21.02032 9.055656 2.232166       13.39656 
1 1 1 -13 17 1  o 149.1882 2.791434 2693.307       100.7152 2614.134       140.1389 2777.886       144.8431 146.9225 3.942467 151.4539 3.952893 -4.531372      5.582868 
1 1 1 -13 17 2  o 388.6492 5.057234 18314.67       475.0408 18852.11       690.8846 17832.75       654.2311 394.0309 7.247243 383.2674 7.055488 10.76358       10.11447 
1 1 1 -13 17 3  o 185.8455 4.273016 4183.641       192.1272 0.000000       0.000000 4183.641       192.1272 ?        ?        185.8455 4.273016 ?              ?        
1 1 1 -13 17 4  o 405.1058 5.248983 19934.71       514.4454 19951.95       729.6970 19917.68       725.3933 405.2756 7.442003 404.9360 7.404315 0.3395996      10.49797 
1 1 1 -13 17 5  o 173.5595 2.945039 3642.694       123.5550 3808.257       179.2969 3492.977       170.5010 177.3077 4.179679 169.8113 4.150095 7.496399       5.890077 
1 1 1 -13 17 6  o 125.1129 2.745355 1890.807       82.97750 1801.499       113.6458 1992.781       121.4371 121.9584 3.851581 128.2673 3.913211 -6.308868      5.490710 
1 1 1 -13 17 7  o 149.1479 2.776406 2694.076       100.1681 2665.141       140.1186 2724.319       143.2515 148.3302 3.904487 149.9657 3.948253 -1.635468      5.552812 
1 1 1 -13 17 8  o 141.1862 2.738156 2415.020       93.52024 2402.719       133.0420 2427.034       131.4869 140.8291 3.904758 141.5433 3.839642 -0.7142487     5.476311 
1 1 1 -13 17 9  o 44.10166 5.216654 247.3321       51.97840 145.6150       72.04159 357.7776       75.06895 33.91695 8.728404 54.28637 5.715671 -20.36942      10.43331 
1 1 1 -13 17 10 o 196.4880 4.407361 4682.320       209.5158 0.000000       0.000000 4682.320       209.5158 ?        ?        196.4880 4.407361 ?              ?        
1 1 1 -13 17 11 o 128.9354 2.751740 2015.857       85.82791 2051.679       122.5122 1981.331       120.2767 130.0599 3.893441 127.8110 3.889652 2.248863       5.503479 
1 1 1 -13 17 12 o 79.74149 3.051287 767.0302       58.64193 837.4269       87.71772 710.1428       78.85316 83.02225 4.367074 76.46072 4.262638 6.561531       6.102575 
1 1 1 -13 17 13 o 87.13593 2.935569 912.3174       61.45067 1019.412       93.96448 832.2863       81.22875 91.53959 4.242799 82.73226 4.058192 8.807327       5.871139 
1 1 1 -13 17 14 o 67.47195 3.383766 547.8516       54.77853 624.9645       84.33628 491.5782       72.04477 71.50395 4.875084 63.43994 4.693938 8.064011       6.767532 
1 1 1 -13 17 15 o 44.51282 4.705008 241.2428       48.20667 333.3975       75.13057 176.7517       62.85034 51.96046 5.976424 37.06517 7.268476 14.89529       9.410015 
1 1 1 -13 17 16 o 54.26347 3.857194 359.6904       49.43532 384.3986       80.08765 344.4813       62.83444 55.63843 5.949609 52.88851 4.910595 2.749924       7.714389 
1 1 1 -13 17 17 o 56.58604 3.912398 382.1102       52.23667 480.1853       86.37843 325.5627       65.58923 61.99796 5.758715 51.17412 5.297608 10.82384       7.824797 
1 1 1 -13 17 18 o 54.93848 4.018507 364.8747       51.95650 450.0940       86.64277 317.0228       64.92515 59.61037 6.007699 50.26660 5.338646 9.343769       8.037014 
1 1 1 -13 17 19 f 22.38215 6.293178 47.79821       49.08960 62.07748       83.00673 40.11797       60.87624 24.13638 9.562472 20.62792 8.183854 3.508455       12.58636 
1 1 1 -13 17 20 o 45.32281 7.368145 318.9222       83.77209 465.7942       125.3434 200.3569       112.6188 56.28286 9.204984 34.36276 11.50767 21.92010       14.73629 
1 1 1 -13 19 1  o 200.2912 3.155169 4843.195       152.5465 4597.609       207.3679 5132.836       225.2005 194.7834 4.400351 205.7990 4.522972 -11.01559      6.310338 
1 1 1 -13 19 2  o 184.1962 3.035908 4110.823       135.2856 4141.701       192.4562 4080.662       190.2091 184.8792 4.302704 183.5132 4.284121 1.366074       6.071816 
1 1 1 -13 19 3  o 201.5438 3.157305 4922.160       153.9411 4986.036       219.3512 4860.166       216.0966 202.8317 4.469941 200.2560 4.460261 2.575745       6.314610 
1 1 1 -13 19 4  o 189.0244 3.065469 4318.766       139.9841 4124.301       191.7236 4540.800       204.8639 184.4820 4.295555 193.5667 4.374541 -9.084732      6.130938 
1 1 1 -13 19 5  o 134.6237 2.841786 2194.915       92.52973 2120.892       129.4387 2272.273       132.3225 132.3022 4.043847 136.9453 3.993783 -4.643005      5.683573 
1 1 1 -13 19 6  o 84.09441 3.189628 861.2546       64.57751 942.1753       90.29099 776.5126       92.39825 88.16774 4.232845 80.02106 4.772623 8.146675       6.379256 
1 1 1 -13 19 7  o 222.5680 3.350276 6008.540       180.3994 5996.175       254.1322 6021.100       256.1260 222.3389 4.724349 222.7971 4.751623 -0.4581451     6.700551 
1 1 1 -13 19 8  o 174.2571 4.212925 3682.506       177.6138 0.000000       0.000000 3682.506       177.6138 ?        ?        174.2571 4.212925 ?              ?        
1 1 1 -13 19 9  o 102.7082 2.866277 1272.156       71.01006 1399.264       105.1824 1165.706       96.25694 107.3945 4.048169 98.02197 4.058880 9.372543       5.732554 
1 1 1 -13 19 10 o 131.6190 2.797488 2098.782       88.99218 2225.768       128.9540 1983.314       122.9673 135.4152 3.936089 127.8227 3.976300 7.592491       5.594976 
1 1 1 -13 19 11 o 215.0062 3.272859 5604.982       169.8443 5930.969       250.9834 5329.580       230.6900 220.7314 4.699790 209.2809 4.556139 11.45055       6.545718 
1 1 1 -13 19 12 o 35.15276 5.843543 154.2804       48.43860 194.5244       76.23770 127.0365       62.72693 38.87814 8.354051 31.42738 8.172994 7.450756       11.68709 
1 1 1 -13 19 13 o 113.9213 2.879119 1571.047       79.04848 1734.737       118.1129 1438.244       106.3872 119.2505 4.093879 108.5922 4.049378 10.65829       5.758238 
1 1 1 -13 19 14 o 96.49850 2.978722 1125.074       69.07388 1266.479       105.3955 1018.609       91.45211 101.7298 4.282243 91.26717 4.141683 10.46267       5.957444 
1 1 1 -13 19 15 o 42.87589 5.333772 223.1643       52.09657 391.9332       83.49834 115.5888       66.66353 56.07397 6.154803 29.67780 8.712915 26.39618       10.66754 
1 1 1 -13 19 16 o 31.54838 6.609434 135.9111       53.98714 117.5670       85.71684 147.9725       69.50548 29.98223 10.03958 33.11452 8.599150 -3.132290      13.21887 
1 1 1 -13 19 17 o 70.06989 3.682119 607.0620       61.67283 670.5643       96.53368 563.2679       80.16626 72.99667 5.466048 67.14310 4.935009 5.853577       7.364238 
1 1 1 -13 19 18 o 23.03618 6.375321 56.72843       52.70809 8.709725       91.66998 80.44347       64.42194 21.31584 9.330486 24.75652 8.690275 -3.440680      12.75064 
1 1 1 -13 19 19 o 41.89117 6.387133 262.2052       61.30372 260.5756       99.77081 263.1937       77.70200 40.69591 10.16360 43.08642 7.738418 -2.390514      12.77427 
1 1 1 -13 21 1  o 54.13271 4.401602 356.2402       57.64318 356.2606       81.96048 356.2202       81.08609 54.13281 6.258087 54.13261 6.191346 0.2059937E-03  8.803205 
1 1 1 -13 21 2  o 187.4179 3.096450 4256.080       140.3191 4162.043       194.3941 4358.377       202.7520 185.2628 4.337032 189.5731 4.420651 -4.310303      6.192900 
1 1 1 -13 21 3  o 118.4030 2.914686 1694.632       83.32639 1622.633       113.5324 1778.703       122.6813 115.6894 4.056242 121.1167 4.186703 -5.427254      5.829372 
1 1 1 -13 21 4  o 246.2815 3.584821 7327.245       212.9429 7836.543       316.7165 6907.084       287.6684 254.0371 5.153131 238.5259 4.984876 15.51126       7.169641 
1 1 1 -13 21 5  o 242.4823 3.539807 7132.288       207.5105 7368.816       300.6342 6917.050       286.7837 246.3098 5.044922 238.6549 4.966859 7.654938       7.079614 
1 1 1 -13 21 6  f 169.9715 2.974865 3480.511       121.8797 3838.934       181.8962 3188.476       164.1886 177.8521 4.227293 162.0909 4.186799 15.76115       5.949730 
1 1 1 -13 21 7  o 89.93086 3.805665 1017.631       78.67362 865.0803       127.7525 1110.831       99.85480 84.22045 6.269740 95.64127 4.315403 -11.42082      7.611329 
1 1 1 -13 21 8  o 166.4092 2.949008 3361.021       118.6622 3457.291       171.3603 3272.328       164.4786 168.6917 4.198694 164.1267 4.142168 4.565018       5.898015 
1 1 1 -13 21 9  o 70.55681 3.631088 605.9788       61.90495 650.4005       89.51564 565.2609       85.70245 73.03818 5.065784 68.07543 5.203560 4.962746       7.262176 
1 1 1 -13 21 10 o 73.53587 3.396590 658.1631       60.34328 698.7335       88.15929 622.3998       82.77186 75.66033 4.816123 71.41140 4.790853 4.248932       6.793181 
1 1 1 -13 21 11 o 112.5076 2.978435 1541.103       80.77875 1582.585       120.0980 1506.833       109.1605 113.8527 4.360036 111.1626 4.058865 2.690163       5.956870 
1 1 1 -13 21 12 o 43.92574 5.333190 242.2037       54.97552 262.5694       84.74103 227.4031       72.24080 45.11423 8.059611 42.73724 6.986727 2.376995       10.66638 
1 1 1 -13 21 13 o 50.45531 4.928663 311.6541       59.17391 403.6955       90.83240 243.7895       77.99580 56.87120 6.601552 44.03943 7.320273 12.83177       9.857327 
1 1 1 -13 21 14 o 115.5415 3.030622 1630.563       84.42267 1801.537       125.6291 1489.777       113.9997 121.0239 4.290588 110.0591 4.281300 10.96484       6.061244 
1 1 1 -13 21 15 o 30.58521 6.781960 127.5843       56.20675 106.9846       86.56984 142.5961       73.90155 28.86903 10.07731 32.30140 9.078973 -3.432367      13.56392 
1 1 1 -13 21 16 o 17.21156 5.641570 -72.01868      56.74617 -1.292993      85.97296 -126.6180      75.53822 20.50416 9.003990 13.91896 6.799810 6.585202       11.28314 
1 1 1 -13 21 17 o 40.59039 6.766886 238.1418       65.93206 308.4855       98.74693 181.5558       88.56577 46.36121 9.128624 34.81955 9.991558 11.54166       13.53377 
1 1 1 -13 21 18 o 42.29306 6.764298 287.1867       68.70837 217.2958       108.8344 333.5005       88.59541 35.65500 11.27010 48.93112 7.483828 -13.27612      13.52860 
1 1 1 -13 23 1  o 184.9046 3.102822 4150.453       138.7376 4309.374       199.8036 4002.489       192.7933 188.3198 4.385360 181.4895 4.390745 6.830292       6.205644 
1 1 1 -13 23 2  o 117.0901 2.928090 1663.537       82.90575 1722.229       119.5463 1609.154       115.0744 119.0768 4.149602 115.1034 4.132268 3.973473       5.856180 
1 1 1 -13 23 3  o 101.6489 3.062783 1246.666       74.81108 1470.445       110.5826 1057.816       101.5867 110.0184 4.154501 93.27945 4.501408 16.73898       6.125566 
1 1 1 -13 23 4  o 120.5056 2.885344 1762.439       84.06030 1815.416       121.7514 1714.182       116.2012 122.2293 4.117145 118.7819 4.043507 3.447411       5.770687 
1 1 1 -13 23 5  o 55.25641 4.334271 369.9839       56.75948 484.6700       84.70358 276.5178       76.46692 63.01127 5.556243 47.50154 6.653705 15.50973       8.668542 
1 1 1 -13 23 6  o 81.30327 3.316589 792.3054       64.67033 948.1054       98.57018 674.5579       85.69151 88.21469 4.618515 74.39184 4.761131 13.82285       6.633178 
1 1 1 -13 23 7  o 134.8329 2.938322 2180.940       94.88116 2445.028       147.5124 1994.583       123.9157 141.6578 4.304132 128.0079 4.001173 13.64995       5.876644 
1 1 1 -13 23 8  o 29.34283 6.662840 104.7633       53.46430 124.4832       80.82776 89.42378       71.28756 31.34686 9.682355 27.33880 9.155642 4.008064       13.32568 
1 1 1 -13 23 9  o 61.27660 4.068585 461.9297       60.25784 469.9765       87.46874 454.6610       83.13152 61.76546 5.853355 60.78773 5.652590 0.9777260      8.137170 
1 1 1 -13 23 10 o 20.61584 6.046301 -20.22296      55.37110 71.19183       81.18024 -99.74973      75.71793 26.06541 9.671247 15.16627 7.259339 10.89914       12.09260 
1 1 1 -13 23 11 f 61.39587 4.484471 469.1765       66.46353 428.2633       92.63759 512.5760       95.41100 58.58457 6.535844 64.20718 6.142040 -5.622604      8.968942 
1 1 1 -13 23 12 o 90.51666 3.319099 1010.497       72.66959 1012.991       103.9327 1008.112       101.6461 90.60835 4.741130 90.42499 4.646220 0.1833572      6.638198 
1 1 1 -13 23 13 o 105.9266 3.254073 1382.505       83.20896 1491.678       122.5927 1289.247       113.3057 109.7799 4.615720 102.0733 4.588146 7.706619       6.508146 
1 1 1 -13 23 14 o 84.28194 3.527442 881.0992       71.50603 950.4755       108.4454 827.7347       95.11118 87.10709 5.145828 81.45680 4.826162 5.650284       7.054884 
1 1 1 -13 23 15 o 90.70764 3.560672 1046.032       77.43869 1167.088       107.6060 915.9881       111.5290 96.49741 4.609126 84.91788 5.428583 11.57952       7.121345 
1 1 1 -13 23 16 o 19.52218 6.284822 -24.68715      65.88673 6.859864       93.50987 -55.79012      92.84943 20.96843 9.290914 18.07592 8.466103 2.892511       12.56964 
1 1 1 -13 23 17 o 54.32320 6.033636 443.1566       74.75533 336.9190       106.7178 545.5118       104.7497 45.91098 9.898972 62.73541 6.901406 -16.82443      12.06727 
1 1 1 -13 25 1  o 130.5532 2.939956 2065.745       92.57817 2256.820       137.4248 1906.979       125.2686 136.0431 4.175288 125.0633 4.140090 10.97975       5.879913 
1 1 1 -13 25 2  o 59.94057 4.210136 440.5067       60.93129 461.5404       89.70831 422.4927       83.01959 61.24856 6.053890 58.63258 5.852471 2.615974       8.420273 
1 1 1 -13 25 3  o 77.19489 3.537044 726.1705       65.89201 799.3101       96.76040 662.9230       89.97940 80.81254 4.948990 73.57724 5.054722 7.235298       7.074088 
1 1 1 -13 25 4  o 131.4035 2.942440 2101.928       93.42509 2214.834       136.3380 2001.980       128.2763 134.7160 4.183070 128.0909 4.139290 6.625137       5.884879 
1 1 1 -13 25 5  o 114.0887 2.966365 1573.943       81.47205 1784.221       122.3171 1406.260       109.2284 120.8735 4.182671 107.3038 4.207441 13.56969       5.932731 
1 1 1 -13 25 6  o 145.0382 2.971531 2568.929       104.1378 2615.932       151.7052 2527.044       143.2081 146.2611 4.287156 143.8153 4.115857 2.445847       5.943061 
1 1 1 -13 25 7  o 33.33431 6.929548 139.6923       60.57427 195.7197       92.16348 97.08428       80.37195 38.31679 9.878681 28.35183 9.720401 9.964958       13.85910 
1 1 1 -13 25 8  o 109.8008 3.185419 1481.358       84.42930 1456.969       123.0100 1503.080       116.0922 108.8861 4.669446 110.7155 4.334034 -1.829376      6.370839 
1 1 1 -13 25 9  o 71.29387 3.878648 629.6700       66.82807 671.8687       95.91566 589.8588       93.16278 73.64527 5.383222 68.94246 5.585388 4.702812       7.757296 
1 1 1 -13 25 10 o 57.00829 4.821811 409.6721       66.25414 461.0355       96.20567 363.3366       91.37580 60.48445 6.574378 53.53214 7.055281 6.952312       9.643621 
1 1 1 -13 25 11 o 28.22670 7.217852 97.41895       62.99794 106.7559       94.58530 89.97447       84.45752 29.17613 10.50003 27.27726 9.906508 1.898867       14.43570 
1 1 1 -13 25 12 o 41.22647 6.538935 237.5052       65.65098 298.6722       91.40173 172.3176       94.35783 47.70179 7.919858 34.75114 10.40704 12.95065       13.07787 
1 1 1 -13 25 13 o 32.09848 6.264352 133.6614       58.88143 252.6133       85.72006 27.39517       81.02039 42.59313 8.614403 21.60383 9.097280 20.98930       12.52870 
1 1 1 -13 25 14 o 25.72465 6.812921 72.25313       65.63961 149.6323       87.16022 -29.13300      99.76900 31.48635 10.09987 19.96295 9.146378 11.52341       13.62584 
1 1 1 -13 25 15 o 33.46689 7.776279 189.3576       72.73071 189.7536       107.4255 189.0224       98.82538 33.28656 11.23875 33.64722 10.75047 -0.3606606     15.55256 
1 1 1 -13 27 1  o 99.65410 3.261189 1213.254       78.37385 1318.391       116.6493 1126.738       105.8157 103.5505 4.656156 95.75771 4.567454 7.792770       6.522379 
1 1 1 -13 27 2  o 65.07175 4.224381 522.9176       66.13282 606.7134       97.39397 451.2270       90.08493 69.94130 5.755672 60.20221 6.184968 9.739094       8.448763 
1 1 1 -13 27 3  o 22.79042 6.547674 14.50221       58.68961 82.12030       90.51781 -34.54144      77.08928 27.44042 10.20620 18.14042 8.204978 9.299997       13.09535 
1 1 1 -13 27 4  o 82.84911 3.606219 849.9883       71.69485 831.3749       107.7983 864.7524       96.00667 81.91505 5.439338 83.78316 4.736334 -1.868103      7.212438 
1 1 1 -13 27 5  o 82.31795 3.646090 825.8547       72.05067 956.7189       110.3175 728.5073       95.14733 87.90636 5.187069 76.72955 5.125446 11.17681       7.292180 
1 1 1 -13 27 6  o 95.94556 4.066631 1164.819       91.78035 1230.339       118.9771 1068.531       144.2325 99.71055 4.931966 92.18056 6.467275 7.529991       8.133262 
1 1 1 -13 27 7  o 96.43298 3.465860 1146.360       80.53120 1225.799       120.6928 1082.611       108.1185 99.36903 5.020283 93.49693 4.779696 5.872101       6.931720 
1 1 1 -13 27 8  o 134.4720 6.433190 2292.683       209.2958 0.000000       0.000000 2292.683       209.2958 ?        ?        134.4720 6.433190 ?              ?        
1 1 1 -13 27 9  o 38.98823 6.736306 213.3443       62.96032 204.5846       92.21461 220.9935       86.17100 38.03191 9.918784 39.94454 9.117510 -1.912632      13.47261 
1 1 1 -13 27 10 o 30.83542 7.126553 132.5189       64.00028 81.24858       93.67510 177.4016       87.64560 26.53775 10.26195 35.13309 9.891586 -8.595339      14.25311 
1 1 1 -13 27 11 f 27.62418 7.177189 89.49124       65.88644 32.81902       88.27096 160.7848       99.00514 22.44371 9.475655 32.80466 10.78240 -10.36095      14.35438 
1 1 1 -13 27 12 o 37.03256 7.604918 216.6770       72.16672 212.4297       101.4007 221.0363       102.7306 36.67214 10.73999 37.39299 10.76995 -0.7208519     15.20984 
1 1 1 -13 27 13 o 29.20114 7.525112 138.2726       69.98752 159.4015       94.29214 112.3519       104.4383 31.10810 10.52924 27.29419 10.75381 3.813915       15.05022 
1 1 1 -13 29 1  o 50.76527 8.290737 375.2127       99.23064 371.5645       132.3705 379.8929       149.9310 50.95387 11.05547 50.57668 12.35807 0.3771896      16.58147 
1 1 1 -13 29 2  o 42.48936 8.846933 265.9660       100.4430 181.5586       138.1505 360.6187       146.2947 35.73413 12.70777 49.24459 12.31201 -13.51045      17.69387 
1 1 1 -13 29 3  o 29.11512 8.497640 76.48671       97.44274 55.68114       139.2852 96.43069       136.3707 28.09702 11.88488 30.13321 12.14863 -2.036192      16.99528 
1 1 1 -13 29 4  f 95.35072 5.219109 1177.171       120.1870 1276.621       174.7606 1087.924       165.5531 99.25163 7.277856 91.44981 7.482593 7.801826       10.43822 
1 1 1 -13 29 5  o 58.56545 7.272644 481.7003       100.3463 541.4634       143.8826 425.1042       140.0185 63.01731 9.437266 54.11359 11.06812 8.903728       14.54529 
1 1 1 -13 29 6  f 25.36153 7.915807 -11.92912      99.16605 88.38787       142.7251 -105.5562      137.8840 29.43535 12.21053 21.28772 10.07686 8.147633       15.83161 
1 1 1 -13 29 7  o 37.31336 8.682270 195.1167       101.7588 57.10886       137.8701 360.2617       150.8173 27.27403 11.68940 47.35270 12.84076 -20.07866      17.36454 
1 1 1 -13 29 8  f 87.93971 6.054986 1068.607       128.6304 1113.504       180.4723 1022.249       183.3843 90.18341 8.271449 85.69601 8.845030 4.487404       12.10997 
1 1 1 -13 29 9  o 29.44899 9.062037 100.5695       120.9960 121.4753       159.7575 72.44498       185.2975 30.06596 12.72363 28.83203 12.90702 1.233927       18.12407 
1 1 1 -13 29 10 o 28.87766 8.709532 89.84045       113.5769 230.9340       166.3728 -33.30161      155.4290 34.51016 13.58055 23.24516 10.90837 11.26500       17.41906 
1 1 1 -13 29 11 o 23.78847 7.787185 11.39281       108.1993 74.64605       148.4640 -60.26175      158.0162 25.71008 11.52821 21.86685 10.47194 3.843227       15.57437 
1 1 1 -12 0  1  o 524.1559 6.574094 33311.50       1178.163 33311.50       1178.163 33311.50       1178.163 524.1559 9.297174 524.1559 9.297174 0.000000       0.000000 
1 1 1 -12 0  2  o 234.4633 3.266724 6659.956       261.8329 6659.956       261.8329 6659.956       261.8329 234.4633 4.619845 234.4633 4.619845 0.000000       0.000000 
1 1 1 -12 0  4  o 417.7416 5.323756 21146.81       760.3699 21146.81       760.3699 21146.81       760.3699 417.7416 7.528927 417.7416 7.528927 0.000000       0.000000 
1 1 1 -12 0  6  o 562.5245 7.032637 38347.81       1352.604 38347.81       1352.604 38347.81       1352.604 562.5245 9.945651 562.5245 9.945651 0.000000       0.000000 
1 1 1 -12 0  8  o 471.9211 5.991769 26979.82       966.7761 26979.82       966.7761 26979.82       966.7761 471.9211 8.473641 471.9211 8.473641 0.000000       0.000000 
1 1 1 -12 2  1  o 444.4153 5.633585 23937.48       605.7050 24047.76       860.8843 23829.37       852.3716 445.4265 7.988521 443.4040 7.945607 2.022522       11.26717 
1 1 1 -12 2  3  o 336.9020 4.390609 13744.26       357.8501 13640.23       502.5383 13851.27       509.6906 335.6101 6.189161 338.1938 6.229290 -2.583771      8.781218 
1 1 1 -12 2  4  o 389.7000 4.999067 18393.71       471.2986 18523.91       670.9432 18266.88       662.1770 391.0597 7.091537 388.3404 7.047892 2.719330       9.998135 
1 1 1 -12 2  5  o 534.1865 6.689917 34578.78       864.4621 34958.25       1235.973 34215.36       1209.524 537.0494 9.512450 531.3236 9.409209 5.725769       13.37983 
1 1 1 -12 2  6  o 573.4078 7.153093 39825.39       992.0035 40456.61       1425.370 39232.46       1381.470 577.8045 10.19634 569.0112 10.03502 8.793335       14.30619 
1 1 1 -12 2  7  o 317.2151 4.172016 12174.79       320.1231 12341.36       458.2737 12016.05       447.3682 319.3328 5.931698 315.0975 5.868374 4.235260       8.344031 
1 1 1 -12 2  8  o 121.7869 3.106862 1794.447       91.54292 1794.447       91.54292 0.000000       0.000000 121.7869 3.106862 ?        ?        ?              ?        
1 1 1 -12 2  9  o 451.0354 5.746084 24635.60       627.0250 24639.39       886.5783 24631.81       886.9163 451.0703 8.124013 451.0005 8.128366 0.6970215E-01  11.49217 
1 1 1 -12 2  10 f 484.2584 12.30161 28471.15       1441.257 28471.15       1441.257 0.000000       0.000000 484.2584 12.30161 ?        ?        ?              ?        
1 1 1 -12 2  11 o 76.56596 2.648371 709.3587       49.05878 709.3587       49.05878 0.000000       0.000000 76.56596 2.648371 ?        ?        ?              ?        
1 1 1 -12 4  1  f 297.2616 3.954503 10695.50       284.3433 10554.13       397.2368 10844.05       407.1922 295.2492 5.561071 299.2740 5.623776 -4.024841      7.909006 
1 1 1 -12 4  2  o 155.7673 2.505275 2935.242       94.39896 2989.176       134.9308 2883.536       132.1144 157.1684 3.548490 154.3663 3.537491 2.802048       5.010551 
1 1 1 -12 4  3  f 766.9346 19.05935 71814.40       3536.459 0.000000       0.000000 71814.40       3536.459 ?        ?        766.9346 19.05935 ?              ?        
1 1 1 -12 4  4  o 543.1604 6.798773 35751.35       893.2346 36211.26       1279.483 35314.09       1247.571 546.5601 9.675964 539.7607 9.553479 6.799316       13.59755 
1 1 1 -12 4  5  f 417.6004 5.328766 21111.66       538.2787 21397.20       770.4376 20839.36       752.3663 420.3561 7.575614 414.8448 7.496203 5.511292       10.65753 
1 1 1 -12 4  6  o 560.8282 7.004185 38080.25       949.9328 38785.72       1368.442 37424.15       1319.699 565.8312 9.996254 555.8253 9.813732 10.00598       14.00837 
1 1 1 -12 4  7  o 270.4133 3.662164 8846.848       239.5531 8747.331       335.2419 8950.677       342.4310 268.8602 5.153822 271.9664 5.204219 -3.106171      7.324328 
1 1 1 -12 4  8  o 608.1207 7.571748 44810.08       1114.003 44895.27       1578.255 44725.50       1572.636 608.6959 10.71703 607.5456 10.69910 1.150269       15.14350 
1 1 1 -12 4  9  o 515.3965 6.478332 32178.47       807.7271 31908.41       1132.797 32457.78       1152.044 513.2002 9.123529 517.5927 9.199802 -4.392517      12.95666 
1 1 1 -12 4  10 o 198.5140 2.918540 4768.326       140.1514 4703.067       196.1925 4836.332       200.2787 197.1276 4.113700 199.9003 4.141131 -2.772736      5.837080 
1 1 1 -12 4  11 o 251.1695 3.460876 7626.528       210.0662 7377.815       288.7557 7906.135       306.1650 246.8304 4.835369 255.5087 4.952764 -8.678238      6.921752 
1 1 1 -12 4  12 o 245.2861 3.450900 7288.188       204.7874 7315.079       290.4129 7261.591       288.8198 245.7358 4.884783 244.8363 4.875833 0.8994141      6.901800 
1 1 1 -12 4  13 f 235.3936 4.664095 6721.276       265.5498 6839.977       381.0193 6609.161       370.2984 237.4095 6.633560 233.3778 6.558280 4.031662       9.328191 
1 1 1 -12 4  14 o 141.5923 3.357672 2429.043       115.0008 2384.295       160.7898 2475.907       164.5468 140.2583 4.738356 142.9263 4.758555 -2.668015      6.715345 
1 1 1 -12 6  1  o 312.7415 4.134813 11839.70       312.8437 11914.96       444.7876 11766.02       440.1052 313.7245 5.860059 311.7585 5.834932 1.965942       8.269627 
1 1 1 -12 6  2  o 768.3822 11.65525 71852.58       2043.128 71901.60       2503.940 71754.91       3534.204 769.5026 13.44967 767.2618 19.03907 2.240845       23.31051 
1 1 1 -12 6  3  o 415.2794 5.301256 20873.49       532.4123 20517.01       740.4011 21255.20       766.1481 411.6135 7.434899 418.9453 7.558804 -7.331879      10.60251 
1 1 1 -12 6  4  o 686.5657 8.508667 57153.98       1413.237 57570.41       2013.161 56749.36       1984.388 689.0253 12.07650 684.1062 11.98949 4.919067       17.01733 
1 1 1 -12 6  5  o 861.1112 13.04671 89802.60       2547.776 89192.23       3098.504 91076.74       4476.758 857.3206 14.93848 864.9018 21.39412 -7.581177      26.09342 
1 1 1 -12 6  6  o 262.0707 3.587189 8307.302       227.3770 8459.083       326.4448 8164.278       316.8875 264.3942 5.103352 259.7472 5.042569 4.646973       7.174378 
1 1 1 -12 6  8  o 546.2397 6.843789 36150.42       904.4293 36270.82       1283.590 36031.70       1274.570 547.1413 9.696713 545.3381 9.660411 1.803223       13.68758 
1 1 1 -12 6  9  f 555.2130 6.954169 37374.52       934.1277 37303.23       1319.393 37446.17       1322.725 554.6826 9.831675 555.7434 9.837685 -1.060852      13.90834 
1 1 1 -12 6  10 o 241.2601 3.369313 7040.232       196.5355 6864.735       271.9663 7232.051       284.3322 238.1182 4.720849 244.4019 4.808604 -6.283691      6.738627 
1 1 1 -12 6  11 o 128.5173 2.338721 1998.200       72.69724 1961.168       101.3355 2037.468       104.3496 127.2914 3.290488 129.7432 3.324328 -2.451790      4.677443 
1 1 1 -12 6  12 o 170.5648 2.672331 3522.203       110.2701 3490.604       154.9395 3554.636       156.9711 169.7900 3.771791 171.3397 3.786689 -1.549622      5.344663 
1 1 1 -12 6  13 o 225.9150 3.207192 6183.817       175.2959 6187.092       248.1294 6180.554       247.6830 225.9745 4.538543 225.8555 4.532765 0.1189880      6.414385 
1 1 1 -12 6  14 o 111.0585 2.205178 1492.289       59.23014 1541.082       85.06594 1446.373       82.52018 112.8194 3.116519 109.2976 3.120666 3.521797       4.410357 
1 1 1 -12 6  15 o 112.1621 3.166076 1525.250       85.91299 1539.560       121.6383 1511.005       121.3608 112.6879 4.461602 111.6362 4.493357 1.051697       6.332152 
1 1 1 -12 6  16 o 329.9287 6.192206 13295.00       493.2653 12790.01       672.0940 13884.59       726.2096 323.2311 8.594378 336.6263 8.916856 -13.39511      12.38441 
1 1 1 -12 6  17 o 80.78490 2.812840 784.2441       54.62854 675.5503       73.45792 918.7389       81.71253 74.58001 4.071119 86.98978 3.882560 -12.40977      5.625680 
1 1 1 -12 6  18 o 10.85573 3.062279 7.140945       12.12349 8.141582       17.25499 6.165378       17.03748 11.04685 4.365146 10.66461 4.296012 0.3822327      6.124559 
1 1 1 -12 8  1  o 199.7162 2.982478 4821.570       144.0334 4975.183       207.8468 4679.649       199.7806 202.7733 4.236723 196.6591 4.198914 6.114243       5.964956 
1 1 1 -12 8  2  o 603.3997 7.526577 44088.54       1098.251 44954.08       1582.683 43284.69       1525.233 609.0992 10.73998 597.7002 10.54752 11.39905       15.05315 
1 1 1 -12 8  3  f 673.9332 8.356045 55019.26       1361.882 55962.66       1960.217 54138.98       1893.499 679.5033 11.92367 668.3630 11.70982 11.14026       16.71209 
1 1 1 -12 8  4  o 339.5487 4.452240 13899.03       364.6984 14656.07       541.2142 13269.36       493.5919 347.9807 6.428529 331.1166 6.161477 16.86414       8.904481 
1 1 1 -12 8  5  o 1020.519 17.81839 126922.2       4395.751 130041.6       6373.817 124092.8       6070.344 1032.355 25.51927 1008.682 24.87463 23.67285       35.63678 
1 1 1 -12 8  6  o 431.0363 5.488081 22486.28       572.1512 22156.74       797.6147 22835.58       821.1881 427.7871 7.706606 434.2856 7.815648 -6.498444      10.97616 
1 1 1 -12 8  7  o 640.1968 7.963382 49686.61       1233.408 49883.51       1750.190 49492.34       1738.474 641.4548 11.27760 638.9388 11.24622 2.516052       15.92676 
1 1 1 -12 8  8  o 205.2253 3.037471 5096.520       150.8038 5056.858       211.6907 5137.386       214.8826 204.4151 4.280422 206.0356 4.310788 -1.620529      6.074941 
1 1 1 -12 8  9  o 116.1532 2.341649 1630.515       65.76060 1565.161       91.09262 1701.642       95.03146 113.7258 3.310716 118.5806 3.312467 -4.854759      4.683298 
1 1 1 -12 8  10 o 423.3374 5.409499 21740.53       554.0295 21637.27       779.8580 21845.76       787.2260 422.3253 7.632488 424.3495 7.667845 -2.024261      10.81900 
1 1 1 -12 8  11 o 250.4294 3.479944 7597.340       210.8342 7555.853       296.5075 7639.769       299.8498 249.7389 4.907351 251.1198 4.935378 -1.380875      6.959889 
1 1 1 -12 8  12 o 121.5727 2.365488 1788.169       69.55253 1843.892       99.86224 1735.673       96.92766 123.4109 3.344610 119.7346 3.345999 3.676315       4.730975 
1 1 1 -12 8  13 o 42.12274 2.998972 214.2258       30.46867 223.9855       45.25229 206.1322       41.20934 42.99566 4.350244 41.24982 4.129251 1.745838       5.997944 
1 1 1 -12 8  14 o 101.0086 2.320047 1233.054       56.63948 1299.865       82.27033 1172.855       78.09343 103.6044 3.282182 98.41280 3.279900 5.191620       4.640093 
1 1 1 -12 8  15 o 46.17168 2.846811 259.3888       31.04869 336.8812       45.23162 190.3382       42.69688 52.72827 3.545654 39.61510 4.454849 13.11317       5.693623 
1 1 1 -12 8  16 o 140.0247 3.430298 2377.326       116.2087 0.000000       0.000000 2377.326       116.2087 ?        ?        140.0247 3.430298 ?              ?        
1 1 1 -12 8  17 o 68.45806 2.536392 558.6793       34.47260 551.0452       38.76923 587.5074       75.33857 67.43559 2.376270 69.48054 4.481794 -2.044952      5.072784 
1 1 1 -12 8  18 o 93.66279 3.040690 1066.619       68.77299 1009.161       93.81220 1133.373       101.1175 90.95232 4.263274 96.37325 4.336781 -5.420929      6.081379 
1 1 1 -12 8  19 o 85.18379 2.982943 882.5836       61.28947 810.8269       83.00859 968.5901       90.87773 81.40097 4.214938 88.96662 4.222096 -7.565651      5.965886 
1 1 1 -12 8  20 o 93.86373 2.935570 1075.179       66.43037 969.3040       90.03806 1201.666       98.41306 88.81260 4.190340 98.91486 4.112339 -10.10226      5.871140 
1 1 1 -12 10 1  o 605.3560 7.544451 44391.21       1104.805 44809.71       1577.606 43988.44       1547.685 608.1508 10.72222 602.5612 10.61644 5.589600       15.08890 
1 1 1 -12 10 2  f 167.7069 3.873392 3403.013       157.1610 0.000000       0.000000 3403.013       157.1610 ?        ?        167.7069 3.873392 ?              ?        
1 1 1 -12 10 3  o 865.9135 15.10662 90996.57       3164.783 0.000000       0.000000 90996.57       3164.783 ?        ?        865.9135 15.10662 ?              ?        
1 1 1 -12 10 4  o 398.1185 5.130724 19170.67       493.8657 19664.93       714.3328 18718.08       683.5471 403.0266 7.325960 393.2104 7.185238 9.816284       10.26145 
1 1 1 -12 10 5  o 501.5945 6.317819 30475.69       766.6942 30481.40       1084.308 30469.98       1084.231 501.6415 8.934226 501.5474 8.935266 0.9408569E-01  12.63564 
1 1 1 -12 10 6  o 331.1053 4.364685 13263.52       349.4788 13019.31       485.3956 13526.36       503.5811 327.9449 6.117763 334.2657 6.226948 -6.320770      8.729370 
1 1 1 -12 10 7  o 311.2539 4.145872 11728.45       312.1692 11850.80       445.3163 11610.24       437.7292 312.8487 5.883450 309.6592 5.842776 3.189484       8.291743 
1 1 1 -12 10 8  o 150.1968 3.118186 2688.582       105.9338 2614.990       127.8837 2849.494       189.1015 146.9912 3.596014 153.4023 5.095195 -6.411133      6.236371 
1 1 1 -12 10 9  o 434.7270 5.551253 22916.41       583.5704 22473.38       809.9506 23394.69       841.5418 430.3727 7.778780 439.0813 7.921884 -8.708618      11.10251 
1 1 1 -12 10 10 o 170.7445 2.730064 3529.556       112.7691 3505.503       158.3328 3554.319       160.6517 170.1548 3.846134 171.3343 3.875597 -1.179474      5.460128 
1 1 1 -12 10 11 o 103.0456 2.370766 1285.533       59.10438 1286.108       83.51749 1284.955       83.65511 103.0688 3.349254 103.0224 3.356283 0.4639435E-01  4.741533 
1 1 1 -12 10 12 o 247.4508 3.466443 7419.777       207.4892 7526.794       296.9285 7317.655       290.0602 249.1917 4.925110 245.7099 4.879364 3.481857       6.932886 
1 1 1 -12 10 13 o 266.7221 3.678987 8619.284       237.2334 8854.695       343.5345 8404.680       328.0016 270.1929 5.255261 263.2513 5.149952 6.941589       7.357974 
1 1 1 -12 10 14 o 102.0974 2.439809 1259.051       60.17687 1338.700       87.97821 1189.025       82.49234 105.1225 3.459212 99.07240 3.441586 6.050095       4.879617 
1 1 1 -12 10 15 o 118.4162 2.420986 1691.343       69.18905 1840.319       102.0570 1564.637       94.12035 123.2178 3.423473 113.6145 3.424108 9.603355       4.841971 
1 1 1 -12 10 16 o 64.04791 2.499265 495.8838       38.59662 519.7745       57.46709 476.2508       52.09518 65.44253 3.629584 62.65329 3.436777 2.789234       4.998531 
1 1 1 -12 10 17 o 62.39632 2.507012 466.0763       37.51838 560.1480       56.89568 393.6964       49.90664 67.88953 3.463970 56.90311 3.625100 10.98642       5.014025 
1 1 1 -12 10 18 o 119.6941 2.349053 1743.134       67.99595 1767.159       97.85088 1720.700       94.55535 120.4836 3.356871 118.9047 3.286886 1.578842       4.698106 
1 1 1 -12 10 19 o 71.38171 2.776855 583.7675       42.65325 541.0179       49.22612 712.5521       85.43998 66.63867 3.053282 76.12474 4.639092 -9.486069      5.553711 
1 1 1 -12 10 20 o 37.76889 5.154940 183.0681       44.75049 162.4033       57.60706 214.5152       71.06422 35.18650 7.013173 40.35127 7.557053 -5.164764      10.30988 
1 1 1 -12 12 1  o 406.6151 5.233831 20015.12       514.7676 20268.68       737.2998 19773.97       719.0267 409.1244 7.448802 404.1058 7.354406 5.018524       10.46766 
1 1 1 -12 12 2  o 328.5569 4.355962 13061.02       346.1285 12833.34       481.6349 13304.21       497.7625 325.5989 6.114104 331.5149 6.206073 -5.916016      8.711924 
1 1 1 -12 12 3  o 390.0952 5.036381 18394.70       474.7034 17833.76       651.4652 19029.70       693.1346 383.7715 7.016430 396.4188 7.227050 -12.64725      10.07276 
1 1 1 -12 12 4  o 344.6674 4.528108 14365.48       377.2256 14795.32       548.2506 13979.04       519.8376 349.5531 6.482816 339.7816 6.323617 9.771454       9.056215 
1 1 1 -12 12 5  o 196.1294 3.000810 4655.737       142.3877 4659.777       200.7000 4651.643       202.0400 196.2155 4.227774 196.0434 4.259738 0.1721344      6.001620 
1 1 1 -12 12 6  o 384.5703 4.977283 17923.28       463.0948 17963.10       655.2897 17883.56       654.5409 384.9973 7.035150 384.1433 7.042732 0.8540039      9.954567 
1 1 1 -12 12 7  o 298.2562 4.924868 10661.93       330.4823 10456.88       397.8483 11118.38       593.5823 293.8003 5.597099 302.7120 8.104924 -8.911743      9.849736 
1 1 1 -12 12 8  o 231.1377 4.056508 6434.063       212.4621 6588.935       374.8977 6360.790       257.8705 233.1028 6.647572 229.1726 4.650896 3.930176       8.113016 
1 1 1 -12 12 9  o 176.4827 3.439084 3716.796       137.1624 3930.993       245.1239 3619.156       165.4976 180.0836 5.626120 172.8818 3.956764 7.201813       6.878169 
1 1 1 -12 12 10 o 121.2709 2.476686 1774.281       72.53344 1915.937       106.1738 1650.314       99.32399 125.7939 3.488634 116.7479 3.516436 9.046005       4.953372 
1 1 1 -12 12 11 o 118.4508 3.512778 1699.007       100.6679 0.000000       0.000000 1699.007       100.6679 ?        ?        118.4508 3.512778 ?              ?        
1 1 1 -12 12 12 o 82.21714 2.594619 817.7995       51.57712 858.0776       74.31727 780.3727       71.63859 84.16842 3.649541 80.26586 3.689044 3.902557       5.189239 
1 1 1 -12 12 13 o 234.6404 3.370968 6665.341       191.1340 6922.217       278.7744 6437.474       262.5622 238.8913 4.823366 230.3895 4.710503 8.501877       6.741936 
1 1 1 -12 12 14 o 59.86797 3.095675 436.8045       44.62698 394.5561       63.83284 477.1973       62.41518 57.01314 4.627717 62.72281 4.113035 -5.709663      6.191351 
1 1 1 -12 12 15 o 65.55293 2.847933 519.3293       44.85036 541.5096       68.14493 502.3788       59.57198 66.77023 4.218406 64.33562 3.827262 2.434608       5.695865 
1 1 1 -12 12 16 o 157.7473 2.704556 3003.821       102.7468 3249.769       154.6088 2809.286       137.5026 163.4711 3.909228 152.0235 3.738505 11.44762       5.409111 
1 1 1 -12 12 17 o 89.53309 2.504785 972.8165       53.91399 1002.194       81.44877 949.9063       71.92762 90.70473 3.711524 88.36144 3.364578 2.343292       5.009570 
1 1 1 -12 12 18 o 81.40204 2.519749 802.2159       49.20990 855.9099       75.51163 762.5785       64.87891 83.71785 3.728151 79.08623 3.390786 4.631622       5.039498 
1 1 1 -12 12 19 o 24.00782 4.942366 70.71931       34.45665 17.05096       49.97949 119.3337       47.56804 17.78073 7.285210 30.23492 6.680840 -12.45419      9.884731 
1 1 1 -12 12 20 o 16.56886 5.184060 1.649341       32.73715 7.604154       35.83087 -28.43546      80.53726 14.57207 6.087492 18.56565 8.392874 -3.993586      10.36812 
1 1 1 -12 14 1  o 387.7911 5.033597 18218.33       472.1052 17927.41       657.6192 18527.72       678.1703 384.6033 7.067392 390.9788 7.169407 -6.375519      10.06719 
1 1 1 -12 14 2  o 201.7959 4.354909 4929.644       212.6149 4929.644       212.6149 0.000000       0.000000 201.7959 4.354909 ?        ?        ?              ?        
1 1 1 -12 14 3  o 126.3357 3.731721 1931.856       114.0611 0.000000       0.000000 1931.856       114.0611 ?        ?        126.3357 3.731721 ?              ?        
1 1 1 -12 14 4  o 215.4545 4.516508 5620.646       235.4294 5620.646       235.4294 0.000000       0.000000 215.4545 4.516508 ?        ?        ?              ?        
1 1 1 -12 14 5  o 109.4765 3.600405 1450.765       95.36184 1450.765       95.36184 0.000000       0.000000 109.4765 3.600405 ?        ?        ?              ?        
1 1 1 -12 14 6  o 27.22808 5.493216 89.67471       38.34142 67.77599       51.58113 116.7148       57.31725 24.02517 7.776297 30.43099 7.760856 -6.405819      10.98643 
1 1 1 -12 14 7  o 160.4000 2.722636 3112.905       105.6173 3017.801       147.0742 3214.175       151.7673 157.8722 3.850599 162.9278 3.850178 -5.055573      5.445272 
1 1 1 -12 14 8  o 289.2281 3.931098 10140.68       275.0641 10058.09       386.5853 10225.37       391.4592 288.0367 5.547472 290.4194 5.571327 -2.382629      7.862196 
1 1 1 -12 14 9  f 82.09954 2.588285 816.0494       51.33548 877.2141       73.38454 757.4341       71.83879 85.11378 3.563710 79.08530 3.754577 6.028488       5.176570 
1 1 1 -12 14 10 f 106.6446 2.557546 1376.240       65.93713 1350.794       91.15675 1404.164       95.49268 105.6132 3.567536 107.6760 3.665631 -2.062851      5.115092 
1 1 1 -12 14 11 o 323.6206 4.314686 12715.47       337.8129 12770.00       479.8384 12661.89       475.6680 324.3058 6.115586 322.9355 6.088157 1.370300       8.629372 
1 1 1 -12 14 12 o 280.8517 3.857261 9566.810       261.9180 9815.583       378.9678 9339.309       362.4032 284.3339 5.508982 277.3696 5.400461 6.964325       7.714523 
1 1 1 -12 14 13 o 31.41179 5.511458 125.5085       42.06458 100.9992       59.63910 149.7715       59.33863 28.43330 8.210773 34.39029 7.354445 -5.956984      11.02292 
1 1 1 -12 14 14 o 146.4816 2.690697 2577.845       94.86050 2887.871       143.1587 2335.171       126.6577 154.2498 3.836109 138.7134 3.774079 15.53642       5.381394 
1 1 1 -12 14 15 o 52.80745 3.521615 330.7736       43.88912 454.3505       67.95238 242.3245       57.48874 61.06965 4.599144 44.54525 5.334319 16.52439       7.043230 
1 1 1 -12 14 17 o 49.33582 4.589339 298.9311       54.07309 281.5707       70.22649 324.2118       84.74525 47.67593 6.088348 50.99570 6.868779 -3.319775      9.178678 
1 1 1 -12 14 18 o 54.28701 3.440986 364.7091       44.10524 359.6360       70.18723 368.0197       56.69818 53.85098 5.387188 54.72304 4.282493 -0.8720589     6.881972 
1 1 1 -12 14 19 o 68.21829 2.922126 552.9961       47.25999 690.4612       76.71281 468.9095       59.99773 74.76152 4.241188 61.67506 4.020897 13.08646       5.844252 
1 1 1 -12 14 20 o 17.83627 5.465757 -6.075139      46.23594 32.77728       58.99941 -67.91196      74.43243 19.89800 8.001826 15.77454 7.447738 4.123459       10.93151 
1 1 1 -12 16 1  o 123.1024 3.786212 1834.742       112.7649 1834.742       112.7649 0.000000       0.000000 123.1024 3.786212 ?        ?        ?              ?        
1 1 1 -12 16 2  o 339.0480 4.492008 13929.50       368.2801 13646.56       510.9301 14235.49       531.3216 335.4743 6.295062 342.6217 6.409739 -7.147430      8.984016 
1 1 1 -12 16 3  o 314.0452 5.985707 11956.99       454.7890 11956.99       454.7890 0.000000       0.000000 314.0452 5.985707 ?        ?        ?              ?        
1 1 1 -12 16 4  o 306.9189 4.137890 11420.07       307.2481 11359.04       432.2959 11482.37       436.7675 306.0920 5.837500 307.7458 5.866187 -1.653809      8.275781 
1 1 1 -12 16 5  o 227.6949 3.349563 6265.290       184.2399 6572.323       269.8126 5997.059       252.1884 232.9043 4.788312 222.4856 4.685122 10.41867       6.699127 
1 1 1 -12 16 6  o 257.1432 3.619502 8013.924       225.1714 7963.888       316.9429 8064.917       319.9595 256.3337 5.110614 257.9529 5.126871 -1.619171      7.239005 
1 1 1 -12 16 7  o 119.2505 2.623300 1721.673       75.66906 1672.665       106.1289 1772.348       107.9180 117.5240 3.732542 120.9769 3.687133 -3.452911      5.246601 
1 1 1 -12 16 8  o 181.5441 2.950114 3991.645       129.5499 3931.589       181.0189 4054.700       185.4852 180.1460 4.153337 182.9422 4.190762 -2.796265      5.900229 
1 1 1 -12 16 9  o 147.6211 2.747426 2639.838       98.11864 2628.285       137.9009 2651.683       139.6368 147.2948 3.869699 147.9473 3.901132 -0.6524506     5.494853 
1 1 1 -12 16 10 o 94.15234 2.805507 1073.546       63.88730 1104.885       91.65318 1043.927       89.10143 95.48807 3.967309 92.81661 3.967863 2.671455       5.611014 
1 1 1 -12 16 11 o 195.5785 3.079146 4638.562       145.6911 4694.821       207.1630 4583.508       204.9317 196.7520 4.352019 194.4049 4.357119 2.347061       6.158292 
1 1 1 -12 16 12 o 138.1399 2.720359 2311.005       90.82066 2392.010       132.2155 2238.635       124.9702 140.4238 3.891698 135.8559 3.802118 4.567947       5.440718 
1 1 1 -12 16 13 o 103.7417 2.697284 1300.018       67.52793 1422.963       99.50380 1195.050       91.94169 108.2674 3.798741 99.21590 3.830266 9.051491       5.394568 
1 1 1 -12 16 14 o 105.5579 2.733015 1331.490       69.17458 1551.344       106.6738 1171.952       90.87074 112.9412 3.903937 98.17467 3.825800 14.76656       5.466029 
1 1 1 -12 16 15 o 109.2105 2.699411 1444.698       71.08295 1556.780       105.9915 1353.081       95.82803 113.0257 3.876069 105.3953 3.758107 7.630447       5.398822 
1 1 1 -12 16 16 o 20.10249 5.700756 27.89739       41.60978 13.51786       68.54123 36.28981       52.36284 20.09542 8.409284 20.10957 7.699249 -0.1414680E-01 11.40151 
1 1 1 -12 16 17 o 38.93483 5.361348 198.3638       46.37997 187.5647       80.75793 203.6787       56.65498 37.40826 9.026651 40.46140 5.787551 -3.053135      10.72270 
1 1 1 -12 16 18 o 48.91763 4.271462 282.4234       48.87419 387.4403       82.88171 226.4382       60.51538 55.40089 6.183575 42.43436 5.894484 12.96653       8.542924 
1 1 1 -12 16 19 o 104.5874 2.842089 1330.039       70.78431 1500.454       112.6947 1219.000       90.96755 109.8727 4.239467 99.30204 3.786396 10.57066       5.684178 
1 1 1 -12 16 20 o 74.20071 5.169364 721.2950       89.23554 1034.979       137.6249 493.7537       117.2143 88.62630 6.418477 59.77513 8.105088 28.85117       10.33873 
1 1 1 -12 18 1  o 22.41813 5.772524 30.46896       46.31672 94.78928       64.88329 -36.36348      66.13819 27.98734 8.679959 16.84892 7.612257 11.13842       11.54505 
1 1 1 -12 18 2  o 88.93494 2.959305 958.2368       63.63824 1000.262       90.36729 916.8912       89.63332 90.87180 4.110360 86.99809 4.258508 3.873711       5.918611 
1 1 1 -12 18 3  o 84.22783 4.265033 859.4557       86.91211 0.000000       0.000000 859.4557       86.91211 ?        ?        84.22783 4.265033 ?              ?        
1 1 1 -12 18 4  o 227.3246 3.355500 6224.273       183.8557 5831.582       247.2656 6709.841       274.9557 219.3629 4.659060 235.2863 4.830186 -15.92342      6.711001 
1 1 1 -12 18 5  o 305.7439 4.160841 11238.50       305.8835 10459.45       406.0441 12260.73       465.1177 293.6308 5.715699 317.8569 6.048239 -24.22614      8.321683 
1 1 1 -12 18 6  o 55.89840 3.953058 378.8179       53.39893 405.0327       76.57706 354.0054       74.50074 57.78270 5.477703 54.01409 5.701003 3.768616       7.906116 
1 1 1 -12 18 7  o 254.7208 3.620944 7866.935       223.1026 7989.957       319.3758 7749.687       311.7905 256.6621 5.143253 252.7794 5.098224 3.882751       7.241888 
1 1 1 -12 18 8  o 358.4584 4.724349 15619.46       409.6761 15490.73       574.5540 15752.60       584.3081 356.9637 6.652801 359.9530 6.709556 -2.989349      9.448698 
1 1 1 -12 18 9  o 165.6046 2.891535 3323.898       115.8339 3264.502       162.1084 3385.860       165.5742 164.0940 4.083293 167.1152 4.095195 -3.021194      5.783070 
1 1 1 -12 18 10 o 31.47183 6.208542 123.3737       49.39316 100.5073       67.64938 149.4819       72.28587 28.66524 8.858578 34.27842 8.701126 -5.613182      12.41708 
1 1 1 -12 18 11 o 91.38287 2.968744 1014.079       65.61897 1012.851       93.83210 1015.253       91.79974 91.32474 4.246789 91.44100 4.149523 -0.1162643     5.937488 
1 1 1 -12 18 12 o 72.41341 3.320683 638.9119       58.11516 606.7367       82.33730 670.8536       82.03802 70.58270 4.821654 74.24413 4.567207 -3.661438      6.641365 
1 1 1 -12 18 13 o 131.2501 2.776571 2091.044       88.04156 2211.010       128.7342 1985.628       120.6753 134.7726 3.948116 127.7275 3.905096 7.045074       5.553143 
1 1 1 -12 18 14 o 92.38248 2.986887 1038.781       66.62611 1096.857       98.08731 989.0312       90.78312 94.76058 4.278414 90.00439 4.169069 4.756195       5.973773 
1 1 1 -12 18 15 o 74.05182 3.311484 669.7241       59.00451 775.4745       86.61009 578.1335       80.60329 79.51986 4.501845 68.58377 4.857683 10.93609       6.622967 
1 1 1 -12 18 16 o 63.57647 3.698348 485.7384       56.02543 602.6573       88.73677 408.2384       72.24571 69.73947 5.259236 57.41346 5.201110 12.32601       7.396696 
1 1 1 -12 18 17 o 28.86945 6.291070 92.74558       50.40833 182.9847       83.15655 40.32289       63.38095 36.41564 9.380907 21.32327 8.385036 15.09237       12.58214 
1 1 1 -12 18 18 o 23.27683 5.728148 48.48085       50.49374 -79.90295      82.18739 126.3211       63.99590 16.35420 7.752572 30.19946 8.434710 -13.84526      11.45630 
1 1 1 -12 18 19 o 46.82613 5.371795 277.3365       57.17383 422.1601       96.41650 198.7928       71.00476 56.15215 7.097129 37.50011 8.065698 18.65204       10.74359 
1 1 1 -12 18 20 o 27.30384 7.823744 88.64725       88.24946 217.9655       129.0999 -24.78287      120.9095 33.73892 12.24879 20.86876 9.737101 12.87016       15.64749 
1 1 1 -12 20 1  o 217.6072 3.329304 5740.774       175.2699 5774.930       249.3748 5707.431       246.3903 218.2453 4.722863 216.9691 4.693787 1.276199       6.658609 
1 1 1 -12 20 2  o 349.2773 4.640590 14777.95       391.2794 15474.94       577.0637 14184.79       532.3431 356.8487 6.684014 341.7058 6.439275 15.14285       9.281180 
1 1 1 -12 20 3  o 71.73764 3.441219 623.3049       59.64855 609.5356       81.94373 638.8237       86.99420 70.89925 4.777182 72.57603 4.954442 -1.676773      6.882439 
1 1 1 -12 20 4  o 511.1195 6.512539 31885.38       805.0749 32391.33       1156.315 31409.39       1121.575 515.0168 9.280093 507.2222 9.139614 7.794617       13.02508 
1 1 1 -12 20 5  o 199.3625 3.156325 4818.537       152.2220 4767.788       213.3128 4871.196       217.2912 198.2949 4.446345 200.4301 4.481022 -2.135178      6.312650 
1 1 1 -12 20 6  o 150.1908 2.891476 2735.094       105.0451 2754.500       147.3825 2715.056       149.7584 150.7362 4.041348 149.6454 4.136428 1.090790       5.782952 
1 1 1 -12 20 7  o 57.05625 4.846768 382.6969       65.35152 335.6331       82.33762 462.8198       107.4318 52.50431 6.481881 61.60819 7.207626 -9.103886      9.693537 
1 1 1 -12 20 8  o 182.0910 4.261286 4024.568       187.7290 0.000000       0.000000 4024.568       187.7290 ?        ?        182.0910 4.261286 ?              ?        
1 1 1 -12 20 9  o 221.6608 3.345926 5952.003       179.0343 6295.024       264.2223 5660.825       243.4384 227.5278 4.799906 215.7938 4.662810 11.73399       6.691853 
1 1 1 -12 20 10 o 112.3093 2.883337 1531.109       78.28766 1613.037       112.8676 1455.145       108.6819 115.2046 4.049459 109.4139 4.105656 5.790688       5.766675 
1 1 1 -12 20 11 o 123.8934 2.827896 1852.969       84.33824 2016.834       127.3184 1724.844       112.5812 128.7183 4.088356 119.0685 3.908109 9.649796       5.655791 
1 1 1 -12 20 12 o 37.10494 6.217984 182.3478       54.92028 153.7866       83.64035 203.9957       72.81754 34.37549 9.657537 39.83439 7.834877 -5.458900      12.43597 
1 1 1 -12 20 13 o 100.7897 3.053407 1236.399       74.26360 1353.880       109.5238 1136.416       101.0379 105.2028 4.303074 96.37667 4.333213 8.826134       6.106814 
1 1 1 -12 20 14 o 82.60728 3.272786 836.0308       65.25365 878.1971       96.40260 800.3742       88.64938 84.49829 4.715617 80.71627 4.539545 3.782021       6.545572 
1 1 1 -12 20 15 o 48.59811 4.879762 287.1524       56.23576 367.2727       90.85564 237.3953       71.59919 53.85698 6.972807 43.33923 6.828490 10.51776       9.759524 
1 1 1 -12 20 16 o 34.98203 6.427449 157.7847       57.42162 256.8597       89.33340 88.03040       74.95789 43.43580 8.802364 26.52825 9.368393 16.90755       12.85490 
1 1 1 -12 20 17 o 33.42628 6.429650 149.4903       56.84514 242.2836       86.27603 78.30408       75.56660 41.61622 8.841676 25.23635 9.337364 16.37987       12.85930 
1 1 1 -12 20 18 o 18.50573 5.930474 -23.70175      57.64264 9.136489       84.51603 -52.26263      78.81974 20.32637 8.926609 16.68509 7.810106 3.641279       11.86095 
1 1 1 -12 20 19 o 21.42278 7.097548 -24.79635      92.41498 -32.37359      133.9727 -17.91791      127.6457 21.37706 10.06202 21.46850 10.01282 -0.9143829E-01 14.19510 
1 1 1 -12 22 1  o 162.1532 2.975672 3177.935       116.5104 3436.208       170.8628 2953.471       159.2867 168.2886 4.196531 156.0178 4.219909 12.27081       5.951345 
1 1 1 -12 22 2  o 127.6704 2.898224 1974.365       89.44915 1893.922       123.5913 2062.853       129.6246 124.9447 4.088537 130.3961 4.108854 -5.451439      5.796448 
1 1 1 -12 22 3  o 169.3428 3.005157 3479.653       123.1053 3560.240       175.4263 3401.464       172.7978 171.2763 4.233456 167.4093 4.266348 3.866989       6.010314 
1 1 1 -12 22 4  o 208.2689 3.255601 5217.611       163.1772 5784.672       246.6778 4776.417       217.5853 218.2207 4.672311 198.3171 4.534893 19.90361       6.511202 
1 1 1 -12 22 5  o 208.5107 3.248341 5279.142       163.8101 5419.070       235.4609 5147.893       228.0422 211.1836 4.608465 205.8377 4.579183 5.345978       6.496681 
1 1 1 -12 22 6  o 265.5121 3.771551 8315.340       237.2427 9929.536       386.4170 7338.776       300.5580 285.4547 5.595213 245.5694 5.058850 39.88539       7.543101 
1 1 1 -12 22 7  o 141.1246 2.913606 2406.125       99.16795 2613.703       147.4764 2234.798       133.9821 146.6416 4.156838 135.6076 4.083761 11.03395       5.827213 
1 1 1 -12 22 8  f 73.82855 3.652644 671.6942       64.57634 601.6699       94.96973 731.9128       88.06960 70.15824 5.595053 77.49886 4.697085 -7.340614      7.305287 
1 1 1 -12 22 9  o 76.22275 3.462451 710.5104       63.77674 678.0688       90.79370 742.1086       89.60589 74.48148 5.038544 77.96400 4.750508 -3.482521      6.924901 
1 1 1 -12 22 10 o 44.39442 5.417102 249.4808       56.79223 237.2153       81.73262 260.9316       78.97122 42.92153 8.169219 45.86731 7.116447 -2.945782      10.83420 
1 1 1 -12 22 11 o 81.38815 3.378456 808.5363       66.37039 877.6691       97.77123 749.4518       90.38689 84.60008 4.776810 78.17621 4.778907 6.423874       6.756912 
1 1 1 -12 22 12 o 36.46796 6.640819 178.4166       59.29535 153.2545       86.30380 200.9140       81.60586 33.97608 9.896249 38.95984 8.858112 -4.983757      13.28164 
1 1 1 -12 22 13 o 70.09130 3.691312 601.5252       62.16574 670.6183       94.97022 549.7253       82.23074 73.53400 5.338226 66.64860 5.099656 6.885406       7.382625 
1 1 1 -12 22 14 f 45.86181 5.791727 276.4539       62.69248 280.2844       92.70681 273.2262       85.10169 45.65893 8.710190 46.06468 7.636033 -0.4057503     11.58345 
1 1 1 -12 22 15 o 39.23167 6.506573 217.2484       60.63350 192.5019       91.20410 236.8484       81.16809 36.75279 9.993587 41.71056 8.334877 -4.957767      13.01315 
1 1 1 -12 22 16 f 87.36089 3.411592 955.9679       71.87507 1040.193       106.9573 886.6151       97.05590 90.81652 4.867919 83.90526 4.781129 6.911263       6.823183 
1 1 1 -12 22 17 o 52.47963 6.095575 391.7828       71.97301 585.9983       108.0659 236.9597       96.48605 66.02348 6.765312 38.93579 10.14173 27.08768       12.19115 
1 1 1 -12 24 1  o 134.3692 2.900056 2192.382       94.19308 2281.224       136.7893 2112.268       129.8961 136.9490 4.128488 131.7894 4.073928 5.159592       5.800113 
1 1 1 -12 24 2  o 95.84647 3.108649 1116.086       72.01141 1170.699       104.7425 1067.133       99.16525 98.06299 4.414846 93.62995 4.377664 4.433037       6.217299 
1 1 1 -12 24 3  o 144.6261 4.187279 2545.462       146.5146 2545.462       146.5146 0.000000       0.000000 144.6261 4.187279 ?        ?        ?              ?        
1 1 1 -12 24 4  o 199.0912 3.184658 4761.423       152.1432 5389.158       234.1615 4302.816       200.1463 210.2513 4.603355 187.9310 4.401967 22.32034       6.369316 
1 1 1 -12 24 5  f 120.4321 2.878147 1759.807       83.69974 1909.042       122.4695 1629.009       114.6552 125.2110 4.042807 115.6532 4.097639 9.557808       5.756295 
1 1 1 -12 24 6  o 256.1861 3.713773 8021.146       229.8711 8359.882       335.9485 7722.932       315.2147 261.2227 5.315689 251.1494 5.187666 10.07329       7.427545 
1 1 1 -12 24 7  o 59.02046 4.350595 422.9374       61.17090 466.3041       96.98719 394.2907       78.82668 61.42448 6.526354 56.61644 5.754775 4.808037       8.701191 
1 1 1 -12 24 8  o 59.64232 4.387502 438.1903       63.16782 465.8730       93.23722 414.7035       85.88107 61.36071 6.280535 57.92393 6.128259 3.436775       8.775003 
1 1 1 -12 24 9  o 59.82939 4.324368 446.3128       62.15466 414.2990       91.26871 474.0007       84.87865 57.71411 6.536385 61.94467 5.663596 -4.230560      8.648736 
1 1 1 -12 24 10 o 70.83565 3.986937 615.1346       67.79707 674.3442       104.0247 571.4131       89.38985 73.70789 5.833380 67.96341 5.436391 5.744484       7.973875 
1 1 1 -12 24 11 o 23.08175 6.474321 38.82097       54.89916 72.05450       79.97916 9.210987       75.49318 25.72355 9.588534 20.43995 8.702146 5.283600       12.94864 
1 1 1 -12 24 12 o 72.59360 4.053905 669.4392       69.76952 605.0052       106.6000 717.7246       92.27998 69.20116 6.367096 75.98603 5.019627 -6.784866      8.107809 
1 1 1 -12 24 13 o 73.69318 3.906631 684.1169       69.56202 646.1927       98.44230 721.9385       98.30894 71.56693 5.685479 75.81941 5.359328 -4.252480      7.813262 
1 1 1 -12 24 14 f 30.61414 7.268355 131.0455       63.76762 160.1585       94.52660 106.7319       86.38448 33.08058 10.50820 28.14771 10.04458 4.932869       14.53671 
1 1 1 -12 24 15 o 32.43389 7.399636 161.8320       66.07439 161.0055       92.26536 162.7020       94.66756 32.38694 10.39173 32.48084 10.53710 -0.9390259E-01 14.79927 
1 1 1 -12 24 16 o 39.27924 7.534298 263.5167       75.95107 316.5587       102.5597 199.0997       113.0231 44.99412 9.706542 33.56435 11.52587 11.42976       15.06860 
1 1 1 -12 26 1  o 69.62698 3.910187 601.3155       65.35670 545.0482       95.39181 651.0961       89.72491 66.44154 5.934294 72.81244 5.093369 -6.370903      7.820374 
1 1 1 -12 26 2  o 100.9762 3.144886 1240.882       76.60110 1343.966       113.7607 1155.374       103.6100 104.7807 4.487545 97.17162 4.407173 7.609070       6.289772 
1 1 1 -12 26 3  o 26.91933 6.750918 75.61312       56.17554 120.4859       85.11520 40.98174       74.77402 30.86615 9.989068 22.97251 9.083948 7.893648       13.50184 
1 1 1 -12 26 4  o 115.1866 3.025374 1619.729       84.07738 1674.877       124.3981 1573.352       114.0778 116.9501 4.396539 113.4232 4.157163 3.526932       6.050749 
1 1 1 -12 26 5  f 144.9543 3.032398 2570.966       106.2675 2633.592       153.8809 2513.870       146.9298 146.6196 4.338011 143.2890 4.238327 3.330505       6.064796 
1 1 1 -12 26 6  f 132.1320 4.160607 2138.742       133.0047 0.000000       0.000000 2138.742       133.0047 ?        ?        132.1320 4.160607 ?              ?        
1 1 1 -12 26 7  f 121.1788 4.267193 1802.469       125.1040 0.000000       0.000000 1802.469       125.1040 ?        ?        121.1788 4.267193 ?              ?        
1 1 1 -12 26 8  o 140.5746 3.847520 2447.145       123.6156 2478.287       213.3257 2431.402       151.6767 140.6423 6.269382 140.5068 4.461894 0.1355438      7.695040 
1 1 1 -12 26 9  o 29.10585 7.167869 106.5817       62.29262 125.2230       88.54996 88.31857       87.64710 30.77682 10.20113 27.43487 10.07226 3.341955       14.33574 
1 1 1 -12 26 10 o 30.41992 6.912021 106.0737       64.09061 209.6437       96.23618 23.52769       85.91505 38.59211 10.16566 22.24772 9.368212 16.34439       13.82404 
1 1 1 -12 26 11 f 36.28172 7.077456 187.8032       63.85038 188.6164       96.65981 187.1737       85.04694 36.16579 10.45571 36.39763 9.541472 -0.2318382     14.15491 
1 1 1 -12 26 12 o 40.18752 6.496016 230.0141       64.75739 149.9390       91.06711 311.9216       92.10323 32.08266 10.32718 48.29239 7.883042 -16.20973      12.99203 
1 1 1 -12 26 13 o 30.31922 7.470652 138.3386       69.56914 173.4794       93.02200 93.73689       104.7987 33.57491 10.38982 27.06353 10.73752 6.511375       14.94130 
1 1 1 -12 26 14 o 91.43514 3.923036 1105.800       85.65395 1263.809       119.2829 937.5931       123.0718 98.92509 4.983903 83.94520 6.059831 14.97989       7.846072 
1 1 1 -12 28 1  f 40.34853 6.433280 220.9570       61.54174 185.3210       87.89495 255.2288       86.19623 36.84076 9.720310 43.85631 8.429941 -7.015553      12.86656 
1 1 1 -12 28 2  o 70.90450 4.115254 624.2289       70.37400 691.9094       104.0797 567.2250       95.51831 74.43937 5.779109 67.36962 5.860305 7.069748       8.230509 
1 1 1 -12 28 3  o 73.59586 4.068343 671.0425       71.97801 786.6331       106.8020 574.8536       97.42730 79.43269 5.557477 67.75904 5.943073 11.67365       8.136686 
1 1 1 -12 28 4  o 114.6660 3.256812 1618.393       90.15118 1747.698       132.7712 1507.783       122.7981 118.8916 4.615833 110.4405 4.595801 8.451180       6.513625 
1 1 1 -12 28 5  o 24.07641 6.635541 42.86271       61.45246 -40.70374      95.12215 102.7245       80.50831 19.83510 9.027585 28.31772 9.727505 -8.482624      13.27108 
1 1 1 -12 28 6  o 52.47129 6.889672 410.1001       75.98441 291.9691       136.4389 463.2108       91.48446 44.45238 12.27980 60.49021 6.251150 -16.03783      13.77934 
1 1 1 -12 28 7  o 101.6208 3.408664 1287.060       83.77625 1332.102       119.0828 1242.922       117.8814 103.4188 4.759344 99.82283 4.881047 3.595993       6.817329 
1 1 1 -12 28 8  o 32.69790 7.502337 152.0166       68.65375 124.7686       97.87063 178.4134       96.32983 30.28301 10.70377 35.11279 10.51521 -4.829775      15.00467 
1 1 1 -12 28 9  o 21.11610 6.563812 -2.717865      65.05605 -31.89561      88.06136 32.33912       96.52655 18.99613 8.661331 23.23607 9.864879 -4.239943      13.12762 
1 1 1 -12 28 10 o 49.26118 5.921359 339.0214       68.30045 365.4318       93.63634 308.9925       99.84518 52.22152 7.411270 46.30085 9.237047 5.920662       11.84272 
1 1 1 -12 28 11 o 26.63176 7.437181 92.96139       72.35913 125.6161       99.14814 55.74854       105.8421 28.88638 10.69399 24.37714 10.33853 4.509237       14.87436 
1 1 1 -12 28 12 o 51.50017 8.529676 473.1277       110.9994 321.5943       153.9127 637.3587       160.2315 39.86868 13.45250 63.13165 10.49056 -23.26297      17.05935 
1 1 1 -11 1  1  f 471.1185 7.276465 27032.37       786.0153 27231.72       969.8443 26650.80       1341.779 473.9173 8.458573 468.3196 11.84231 5.597748       14.55293 
1 1 1 -11 1  2  o 394.2651 5.867963 18627.92       477.5330 18432.54       546.1356 19262.34       984.1334 390.1453 5.785911 398.3849 10.21054 -8.239563      11.73593 
1 1 1 -11 1  3  o 79.31268 2.181390 762.3369       36.28780 763.5131       41.94039 758.8340       72.37484 79.44028 2.182174 79.18508 3.777826 0.2551956      4.362781 
1 1 1 -11 1  4  o 219.0763 3.590117 5711.561       161.8622 5625.351       184.6486 5997.621       336.3528 215.6072 3.539813 222.5454 6.247039 -6.938187      7.180235 
1 1 1 -11 1  5  o 185.5430 3.179780 4202.291       124.6522 4240.739       144.8950 4092.802       244.5122 187.2116 3.199029 183.8744 5.496383 3.337189       6.359560 
1 1 1 -11 1  6  o 484.0792 7.047415 28390.27       714.3371 28383.15       824.6241 28411.66       1429.827 484.1735 7.039675 483.9848 12.21095 0.1887207      14.09483 
1 1 1 -11 1  7  o 652.0020 9.389140 51453.26       1278.678 51358.10       1473.768 51743.01       2571.657 651.1857 9.354529 652.8183 16.28240 -1.632629      18.77828 
1 1 1 -11 1  8  o 636.4424 7.986413 49055.23       1229.320 50118.00       1767.010 48058.34       1711.368 643.1132 11.35662 629.7716 11.23202 13.34161       15.97283 
1 1 1 -11 1  9  o 228.5799 4.593131 6322.560       254.0090 6322.560       254.0090 0.000000       0.000000 228.5799 4.593131 ?        ?        ?              ?        
1 1 1 -11 3  1  o 157.6681 2.510502 3002.330       95.66326 2875.325       131.6615 3144.361       139.2323 154.1433 3.530463 161.1928 3.570197 -7.049438      5.021003 
1 1 1 -11 3  2  o 445.6709 5.652901 24070.94       609.4727 23904.59       855.5599 24242.34       868.4335 444.1111 7.962629 447.2307 8.026065 -3.119598      11.30580 
1 1 1 -11 3  3  o 124.7070 2.231833 1881.678       67.33443 1904.666       95.65408 1859.097       94.80219 125.4621 3.151293 123.9520 3.161276 1.510017       4.463665 
1 1 1 -11 3  4  o 241.6501 3.347256 7065.593       195.6490 6961.963       273.1285 7174.809       280.3934 239.8316 4.707152 243.4686 4.760170 -3.636978      6.694512 
1 1 1 -11 3  5  o 276.1379 3.715692 9229.384       248.2370 9249.258       351.6207 9209.637       350.5023 276.4342 5.257513 275.8416 5.252048 0.5925293      7.431383 
1 1 1 -11 3  6  o 508.8110 6.388156 31355.75       786.3184 31592.76       1120.717 31125.96       1103.527 510.7018 9.070393 506.9202 8.997896 3.781616       12.77631 
1 1 1 -11 3  7  o 1038.497 25.66318 131588.3       6447.896 0.000000       0.000000 131588.3       6447.896 ?        ?        1038.497 25.66318 ?              ?        
1 1 1 -11 3  8  o 840.2737 10.37061 85655.80       2108.062 86370.52       3007.094 84965.16       2956.060 843.7086 14.73168 836.8387 14.60055 6.869934       20.74123 
1 1 1 -11 3  9  o 375.8622 4.872412 17103.20       443.0707 17137.50       627.7070 17069.14       625.4922 376.2375 6.895926 375.4868 6.885332 0.7507019      9.744823 
1 1 1 -11 3  10 o 152.4533 2.468617 2789.074       90.65722 2555.712       121.5687 3081.433       136.0708 145.3294 3.457531 159.5773 3.524451 -14.24797      4.937234 
1 1 1 -11 3  11 o 226.1114 4.513018 6170.387       246.2579 5860.797       334.0367 6538.965       364.4730 219.9298 6.277805 232.2930 6.485251 -12.36324      9.026036 
1 1 1 -11 3  12 o 357.7455 6.619503 15534.68       572.2785 15086.26       786.9186 16038.07       833.7590 352.2982 9.232452 363.1927 9.488577 -10.89453      13.23901 
1 1 1 -11 3  13 o 138.7246 3.334331 2322.068       111.6736 2176.086       152.1477 2492.564       164.4268 134.0183 4.692443 143.4309 4.738357 -9.412567      6.668662 
1 1 1 -11 5  1  o 610.7921 9.345984 45280.06       1300.103 45161.21       1589.246 45520.52       2260.542 610.0606 10.76752 611.5236 15.27908 -1.462952      18.69197 
1 1 1 -11 5  2  o 500.2257 6.293896 30327.55       761.6315 30069.32       1068.078 30594.70       1086.374 498.0638 8.863712 502.3875 8.937958 -4.323730      12.58779 
1 1 1 -11 5  3  o 109.6383 2.173795 1454.224       57.65643 1438.400       80.90940 1470.551       82.18252 109.0324 3.067192 110.2441 3.081213 -1.211716      4.347590 
1 1 1 -11 5  4  o 452.3425 5.727962 24776.18       626.6830 25141.13       899.2004 24431.50       873.8696 455.5760 8.158181 449.1090 8.042528 6.467010       11.45592 
1 1 1 -11 5  5  o 101.6182 2.145658 1249.363       52.75021 1259.015       74.59541 1239.709       74.60472 102.0108 3.022481 101.2256 3.046308 0.7852554      4.291315 
1 1 1 -11 5  6  o 425.9859 5.424473 21959.06       558.8582 22326.04       803.3324 21614.89       777.9675 429.4305 7.732146 422.5413 7.610095 6.889282       10.84895 
1 1 1 -11 5  7  o 306.1656 4.063957 11343.94       301.0237 11394.18       427.2083 11294.39       424.2310 306.8388 5.754760 305.4925 5.739838 1.346313       8.127914 
1 1 1 -11 5  8  o 340.7434 4.459729 14053.16       367.6404 14118.23       522.5341 13989.38       517.3486 341.5238 6.323992 339.9630 6.289981 1.560852       8.919458 
1 1 1 -11 5  9  o 598.7294 7.465841 43426.60       1080.837 44337.89       1560.832 42587.02       1498.161 604.7464 10.66794 592.7123 10.44750 12.03412       14.93168 
1 1 1 -11 5  10 o 403.0887 5.170080 19688.77       504.1907 19624.59       710.8860 19753.72       715.2001 402.4288 7.301442 403.7487 7.321737 -1.319916      10.34016 
1 1 1 -11 5  11 o 315.4245 4.173779 12050.89       318.4211 11869.77       443.8978 12242.86       457.0197 312.9877 5.862103 317.8613 5.942852 -4.873566      8.347559 
1 1 1 -11 5  12 o 175.5407 2.697303 3730.594       114.5481 3764.924       162.9992 3697.096       161.0101 176.3383 3.820644 174.7431 3.808471 1.595169       5.394606 
1 1 1 -11 5  13 o 189.0052 2.825077 4324.785       129.1528 4248.147       180.2683 4405.610       185.1280 187.2865 3.978420 190.7240 4.012034 -3.437500      5.650154 
1 1 1 -11 5  14 o 215.3537 4.381816 5620.458       228.0787 5443.188       314.1806 5817.966       331.6303 211.7767 6.131955 218.9308 6.261020 -7.154083      8.763632 
1 1 1 -11 5  15 o 159.0904 3.601412 3061.706       138.3999 2922.070       189.3457 3221.892       202.8005 155.2107 5.042331 162.9701 5.143499 -7.759415      7.202825 
1 1 1 -11 5  16 o 53.67234 2.719112 347.9095       35.24077 325.2826       48.12865 374.0630       51.74340 51.79834 3.840480 55.54634 3.850324 -3.747997      5.438224 
1 1 1 -11 7  1  o 492.3648 6.203630 29353.51       738.6807 28880.08       1027.108 29860.72       1063.128 488.2610 8.694839 496.4685 8.850983 -8.207520      12.40726 
1 1 1 -11 7  2  o 275.9157 3.743779 9187.548       249.4017 8823.442       339.7583 9612.983       367.2593 270.0074 5.201062 281.8240 5.386324 -11.81662      7.487558 
1 1 1 -11 7  3  o 764.5415 11.51456 71667.10       2039.408 73346.91       2557.400 68732.90       3379.971 777.4705 13.59604 751.6125 18.58731 25.85791       23.02913 
1 1 1 -11 7  4  o 1209.529 29.92002 179298.0       8755.491 0.000000       0.000000 179298.0       8755.491 ?        ?        1209.529 29.92002 ?              ?        
1 1 1 -11 7  5  o 891.9187 13.45652 96884.71       2745.802 97294.70       3377.561 96085.66       4715.216 895.4001 15.59135 888.4374 21.93676 6.962708       26.91304 
1 1 1 -11 7  6  o 160.3192 2.608285 3109.676       101.1663 3134.681       143.3595 3084.872       142.7837 160.9612 3.681316 159.6772 3.696014 1.284042       5.216570 
1 1 1 -11 7  7  o 165.6813 2.662502 3321.190       106.7226 3295.550       150.3657 3347.219       151.4977 165.0369 3.765869 166.3257 3.764823 -1.288727      5.325004 
1 1 1 -11 7  8  o 422.1345 5.383438 21576.04       549.7471 21784.18       784.6891 21375.39       770.4266 424.1317 7.647061 420.1373 7.579450 3.994354       10.76688 
1 1 1 -11 7  9  o 270.1450 3.682974 8834.849       240.7120 8828.016       340.2848 8841.692       340.5518 270.0404 5.208485 270.2495 5.208540 -0.2090759     7.365949 
1 1 1 -11 7  10 o 72.98643 2.266361 645.0712       39.99273 658.4919       55.92458 631.0244       57.21399 73.76455 3.133666 72.20831 3.275011 1.556244       4.532722 
1 1 1 -11 7  11 o 174.5768 2.723114 3689.050       115.0022 3744.211       164.1286 3635.848       161.1868 175.8583 3.857615 173.2953 3.844503 2.563004       5.446228 
1 1 1 -11 7  12 o 292.1620 3.922495 10344.38       277.1976 10200.23       387.0296 10496.20       397.2017 290.0765 5.514794 294.2475 5.579509 -4.170959      7.844990 
1 1 1 -11 7  13 o 218.2183 3.141794 5767.614       165.8340 5862.648       237.6246 5677.383       231.5430 219.9683 4.465077 216.4682 4.421150 3.500076       6.283588 
1 1 1 -11 7  14 f 136.3198 2.414203 2240.268       79.43948 2418.533       117.1424 2088.486       108.0915 141.3173 3.426228 131.3223 3.402127 9.994995       4.828406 
1 1 1 -11 7  15 o 182.4045 2.784143 4029.875       122.8220 3941.663       170.9405 4124.014       176.5903 180.3440 3.917788 184.4650 3.956860 -4.121002      5.568286 
1 1 1 -11 7  16 f 360.6125 5.464478 15977.27       416.6806 16060.42       484.3857 15740.63       817.1575 363.3733 5.509802 357.8518 9.438439 5.521454       10.92896 
1 1 1 -11 7  17 o 177.2894 3.880233 3825.327       166.2204 3684.711       228.1057 3984.533       242.7162 173.8392 5.423582 180.7397 5.550640 -6.900497      7.760466 
1 1 1 -11 7  18 o 47.36586 3.126081 272.4650       35.71875 258.6556       48.31230 289.1136       53.04688 46.05548 4.335848 48.67624 4.504437 -2.620758      6.252162 
1 1 1 -11 7  19 o 29.94996 3.479619 110.4462       24.12398 81.24926       32.32026 147.1743       36.24978 25.21786 5.455946 34.68206 4.320144 -9.464199      6.959238 
1 1 1 -11 9  1  f 475.7214 6.019842 27338.85       691.6172 28429.20       1015.377 26395.14       944.6381 484.5414 8.661524 466.9014 8.362535 17.63995       12.03968 
1 1 1 -11 9  3  o 857.5613 10.60014 88901.11       2192.639 93178.30       3255.891 85351.52       2966.054 876.3064 15.35718 838.8163 14.61537 37.49011       21.20029 
1 1 1 -11 9  4  o 743.6317 9.206196 67032.20       1656.075 67797.27       2366.157 66297.55       2318.653 747.7826 13.07874 739.4809 12.96004 8.301697       18.41239 
1 1 1 -11 9  5  o 259.9131 3.592266 8174.865       225.8886 8213.902       320.3339 8136.253       318.5828 260.5302 5.082092 259.2960 5.078369 1.234283       7.184531 
1 1 1 -11 9  6  o 390.9600 5.031323 18499.61       475.7968 18260.49       664.5076 18751.17       681.5735 388.3702 7.072155 393.5497 7.158316 -5.179474      10.06265 
1 1 1 -11 9  7  o 178.8435 3.963727 3870.358       171.5059 3870.358       171.5059 0.000000       0.000000 178.8435 3.963727 ?        ?        ?              ?        
1 1 1 -11 9  8  o 207.1551 3.055797 5189.649       153.0632 5072.633       212.1131 5316.784       221.0943 204.7218 4.282538 209.5885 4.360212 -4.866760      6.111594 
1 1 1 -11 9  9  o 157.8045 2.608001 3014.088       99.56959 3029.047       141.0323 2999.222       140.5940 158.1949 3.684884 157.4140 3.691654 0.7809143      5.216002 
1 1 1 -11 9  10 o 241.2037 3.385550 7044.809       197.5387 7151.279       282.3270 6942.697       276.4883 242.9877 4.802482 239.4197 4.773255 3.568054       6.771100 
1 1 1 -11 9  11 o 110.3550 2.357834 1474.927       62.92031 1501.692       88.12820 1447.098       89.86266 111.3782 3.270485 109.3318 3.397272 2.046402       4.715669 
1 1 1 -11 9  12 o 315.8932 4.197222 12096.55       320.6305 12349.79       462.0272 11861.29       445.3145 319.0732 5.985148 312.7132 5.885973 6.359955       8.394444 
1 1 1 -11 9  13 o 293.5714 3.958992 10454.84       281.1903 10442.06       397.7156 10467.61       397.6107 293.3914 5.603031 293.7514 5.594687 -0.3599854     7.917984 
1 1 1 -11 9  14 o 151.8871 2.596332 2773.184       95.00758 3040.640       142.5208 2559.269       127.4593 158.4246 3.718378 145.3497 3.624558 13.07486       5.192663 
1 1 1 -11 9  15 o 329.0364 4.355566 13124.06       345.8383 13794.99       511.8213 12560.36       469.1398 336.7104 6.282891 321.3624 6.033995 15.34802       8.711132 
1 1 1 -11 9  16 o 172.2219 2.729830 3595.441       113.6685 3722.832       164.4269 3478.836       157.3121 175.1373 3.880537 169.3065 3.840484 5.830780       5.459660 
1 1 1 -11 9  17 o 189.7516 2.876776 4370.038       131.8735 4567.382       192.9929 4197.193       180.6162 193.7477 4.117205 185.7554 4.018953 7.992218       5.753552 
1 1 1 -11 9  18 o 122.1139 2.925410 1853.702       80.96229 1922.734       99.59666 1719.215       139.0147 125.7274 3.274256 118.5004 4.848849 7.226997       5.850820 
1 1 1 -11 9  19 o 68.65848 3.287010 569.3379       54.12312 505.0565       71.09504 657.9417       83.46857 64.14070 4.581453 73.17625 4.714662 -9.035545      6.574021 
1 1 1 -11 9  20 o 55.04066 3.506233 363.0115       45.89931 294.2296       59.24590 466.2701       72.59130 48.71545 5.026773 61.36586 4.889399 -12.65041      7.012465 
1 1 1 -11 9  21 o 67.48372 3.094427 560.9748       50.09543 467.4598       67.94777 672.3379       74.14899 61.28603 4.582594 73.68140 4.159538 -12.39537      6.188855 
1 1 1 -11 11 1  o 687.9082 12.09271 57495.54       2012.596 57501.49       2845.705 57489.59       2846.775 687.9445 17.09756 687.8719 17.10579 0.7257080E-01  24.18543 
1 1 1 -11 11 2  f 700.4182 8.713573 59237.79       1471.598 62347.10       2191.902 56686.08       1985.656 717.0416 12.63498 683.7949 12.00262 33.24664       17.42715 
1 1 1 -11 11 3  o 603.6011 9.203752 44363.25       1274.985 43640.69       2171.171 44743.56       1575.188 599.5760 14.96744 607.6262 10.71504 -8.050232      18.40750 
1 1 1 -11 11 4  o 248.3833 6.970715 7469.364       418.8919 7469.364       418.8919 0.000000       0.000000 248.3833 6.970715 ?        ?        ?              ?        
1 1 1 -11 11 5  o 715.2316 10.82144 62625.03       1787.784 60582.99       2989.187 63762.28       2230.733 705.5859 17.51059 724.8773 12.71981 -19.29138      21.64289 
1 1 1 -11 11 6  o 529.0670 8.116968 34227.02       991.3306 33123.14       1660.117 34838.79       1235.868 522.1085 13.14243 536.0255 9.529812 -13.91693      16.23394 
1 1 1 -11 11 7  o 452.2748 7.026216 24988.54       732.1291 24306.96       1232.908 25359.80       909.9341 447.2325 11.39449 457.3171 8.224134 -10.08459      14.05243 
1 1 1 -11 11 8  f 349.4626 6.477731 14716.35       544.5599 15871.50       825.1688 13825.10       724.8038 361.4766 9.435399 337.4485 8.877907 24.02808       12.95546 
1 1 1 -11 11 9  o 187.7083 3.525977 4334.948       153.8862 4015.467       250.5053 4528.581       195.0222 182.0273 5.688242 193.3893 4.168206 -11.36201      7.051953 
1 1 1 -11 11 10 o 147.9967 3.148677 2662.068       106.9306 2624.628       182.2846 2681.710       132.0348 147.1691 5.119543 148.8244 3.667008 -1.655350      6.297354 
1 1 1 -11 11 11 o 82.79837 3.062096 843.9537       57.83154 789.1731       98.37777 872.8804       71.48798 80.69081 5.039304 84.90592 3.480108 -4.215111      6.124193 
1 1 1 -11 11 12 o 61.80431 3.481021 456.3437       49.81928 485.9012       84.80804 440.7697       61.56071 63.29283 5.538348 60.31579 4.218618 2.977039       6.962043 
1 1 1 -11 11 13 o 200.4973 3.722037 4898.290       170.6983 4810.232       292.5461 4943.747       210.1888 199.0297 6.075389 201.9649 4.301613 -2.935272      7.444074 
1 1 1 -11 11 14 o 152.1007 3.265388 2765.940       111.4256 2914.932       201.6746 2700.476       133.6821 154.9281 5.380452 149.2734 3.701592 5.654739       6.530777 
1 1 1 -11 11 15 o 183.4024 3.550460 4028.284       145.9439 4251.041       264.6427 3930.930       174.9526 186.8275 5.854865 179.9773 4.017912 6.850220       7.100920 
1 1 1 -11 11 16 o 171.5154 2.767013 3557.098       114.4766 3799.946       170.1355 3356.198       154.7452 176.8257 3.976924 166.2051 3.848314 10.62057       5.534027 
1 1 1 -11 11 17 o 77.30202 2.483736 717.0052       46.12096 816.1547       70.47758 642.7414       60.99499 81.90733 3.556525 72.69672 3.467983 9.210602       4.967472 
1 1 1 -11 11 18 f 95.09164 3.463371 1102.025       79.67898 1102.025       79.67898 0.000000       0.000000 95.09164 3.463371 ?        ?        ?              ?        
1 1 1 -11 11 19 o 32.20143 5.091784 173.6161       33.72463 199.8958       37.13446 49.91077       80.56763 40.40400 3.798835 23.99886 9.448487 16.40514       10.18357 
1 1 1 -11 11 20 o 20.29539 5.377776 31.93124       25.81348 25.96594       27.64553 72.51636       72.10948 15.63032 5.669137 24.96046 9.140174 -9.330145      10.75555 
1 1 1 -11 13 1  o 178.1374 2.904983 3834.462       125.0570 3725.226       171.9699 3957.062       182.1865 175.4499 4.051323 180.8249 4.164431 -5.375031      5.809966 
1 1 1 -11 13 2  o 259.8931 3.645019 8176.341       229.1881 8192.006       323.5496 8160.565       324.6952 260.1434 5.140741 259.6427 5.168892 0.5006409      7.290039 
1 1 1 -11 13 3  o 366.9965 4.801927 16204.21       424.1654 17360.27       640.3257 15300.29       566.2095 378.5675 6.991257 355.4255 6.584552 23.14200       9.603854 
1 1 1 -11 13 4  o 398.9779 5.153031 19279.93       497.2228 19622.35       715.1218 18959.47       691.8157 402.4001 7.345472 395.5557 7.229037 6.844360       10.30606 
1 1 1 -11 13 5  o 265.0118 3.673589 8499.530       235.4382 8334.710       327.2533 8676.369       338.9759 262.3524 5.155807 267.6714 5.234373 -5.319000      7.347177 
1 1 1 -11 13 6  o 158.9372 2.691140 3057.284       103.4710 3019.716       145.0524 3096.205       147.6423 157.9436 3.795952 159.9309 3.815716 -1.987289      5.382280 
1 1 1 -11 13 7  o 322.7016 4.286647 12610.70       334.4391 12913.31       484.0241 12334.25       462.6371 326.3956 6.129434 319.0076 5.994283 7.388000       8.573295 
1 1 1 -11 13 8  o 234.9369 3.358814 6681.923       190.8219 6819.155       275.1052 6554.674       264.9093 237.2572 4.792665 232.6165 4.707110 4.640671       6.717628 
1 1 1 -11 13 9  o 249.9821 4.968783 7572.741       300.5116 0.000000       0.000000 7572.741       300.5116 ?        ?        249.9821 4.968783 ?              ?        
1 1 1 -11 13 10 o 389.8629 5.046887 18456.26       475.9408 18220.98       665.1422 18703.13       681.3129 387.3261 7.097989 392.3997 7.176548 -5.073608      10.09377 
1 1 1 -11 13 11 o 135.6951 2.592863 2229.409       85.10943 2276.373       121.6080 2184.320       119.1553 137.0953 3.666377 134.2948 3.667347 2.800568       5.185726 
1 1 1 -11 13 12 o 232.0399 3.351380 6528.540       188.1427 6509.459       265.6935 6547.730       266.4561 231.6999 4.739720 232.3800 4.739413 -0.6801605     6.702759 
1 1 1 -11 13 13 o 78.88620 2.772145 754.8934       52.85727 791.0515       74.63034 718.4995       74.87319 80.78718 3.818305 76.98522 4.019913 3.801956       5.544291 
1 1 1 -11 13 14 o 262.7890 3.670774 8372.960       232.9327 8771.623       342.6217 8030.335       317.6293 268.5675 5.273016 257.0106 5.108193 11.55695       7.341549 
1 1 1 -11 13 15 o 128.9590 2.591990 2006.521       80.54628 2158.878       120.6898 1884.163       108.1572 133.3354 3.741302 124.5826 3.588357 8.752838       5.183980 
1 1 1 -11 13 16 o 50.00127 3.536551 309.4749       41.36591 289.2919       66.47491 322.2292       52.84379 48.58248 5.655562 51.42007 4.247750 -2.837593      7.073102 
1 1 1 -11 13 17 f 82.05959 2.669315 817.0229       52.47094 850.7977       80.72816 792.3170       69.04441 83.47977 3.997067 80.63940 3.538987 2.840370       5.338631 
1 1 1 -11 13 18 o 35.39178 4.549085 157.2843       36.81921 178.4801       59.26421 143.9604       46.98757 37.21793 6.833522 33.56563 6.006635 3.652302       9.098169 
1 1 1 -11 13 19 o 20.08800 5.280311 37.93984       32.87511 59.72176       56.63170 26.86875       40.37445 22.73240 8.130660 17.44361 6.739368 5.288792       10.56062 
1 1 1 -11 13 20 o 60.19299 3.001765 432.2342       42.78093 541.5278       69.80988 366.5043       54.13785 66.00327 4.371687 54.38271 4.114697 11.62056       6.003531 
1 1 1 -11 15 1  o 337.6381 4.468541 13815.33       364.9944 13712.80       512.3725 13920.97       520.0738 336.3687 6.296047 338.9074 6.342809 -2.538727      8.937082 
1 1 1 -11 15 2  o 124.1847 2.628992 1866.397       78.94358 1854.829       109.6694 1878.836       113.7274 123.7867 3.661922 124.5827 3.773158 -0.7959824     5.257984 
1 1 1 -11 15 3  o 272.3996 3.776638 8972.690       248.5911 8672.218       341.4385 9311.637       362.6403 267.5603 5.274588 277.2389 5.406543 -9.678528      7.553276 
1 1 1 -11 15 4  o 198.6628 3.069981 4751.993       147.0590 4458.193       198.2721 5111.260       219.2525 191.8793 4.271017 205.4463 4.411070 -13.56702      6.139961 
1 1 1 -11 15 5  o 116.1078 2.606543 1631.633       73.19963 1578.393       102.6714 1686.671       104.3898 114.1812 3.716657 118.0343 3.655506 -3.853050      5.213086 
1 1 1 -11 15 6  f 244.7392 3.479778 7256.599       206.0353 7309.760       292.9157 7204.540       289.8640 245.6257 4.929087 243.8527 4.913198 1.772995       6.959556 
1 1 1 -11 15 7  o 106.4491 2.583582 1371.710       66.51571 1421.984       94.82298 1323.008       93.32963 108.3699 3.616618 104.5284 3.690481 3.841515       5.167164 
1 1 1 -11 15 8  o 192.9480 3.003443 4505.209       140.1236 4373.297       194.1784 4648.538       202.4071 190.0056 4.224081 195.8905 4.270809 -5.884903      6.006885 
1 1 1 -11 15 9  o 261.1525 3.652802 8254.309       230.5262 8566.530       336.0316 7976.730       316.8406 265.8024 5.225391 256.5027 5.105598 9.299713       7.305604 
1 1 1 -11 15 11 o 74.99883 2.923640 679.0229       52.89882 716.5707       78.48454 647.7667       71.60792 76.88817 4.219124 73.10948 4.048416 3.778687       5.847280 
1 1 1 -11 15 12 o 246.5367 3.521943 7377.648       210.0478 7455.367       299.7842 7302.700       294.3940 247.8085 5.000234 245.2650 4.961250 2.543518       7.043887 
1 1 1 -11 15 13 f 107.3173 2.697603 1393.153       69.93682 1490.278       102.0852 1307.252       96.00573 110.8322 3.807100 103.8023 3.822856 7.029953       5.395205 
1 1 1 -11 15 14 o 175.5128 2.902950 3712.162       122.6302 4057.887       185.3175 3442.842       163.5632 182.7031 4.192454 168.3224 4.016440 14.38065       5.805899 
1 1 1 -11 15 15 o 161.0761 2.792705 3133.730       108.3466 3429.510       162.8976 2899.072       145.0938 167.8221 4.012020 154.3302 3.885935 13.49193       5.585409 
1 1 1 -11 15 16 f 62.70334 3.262004 468.3192       48.75196 562.1745       77.47569 406.7947       62.72777 67.74503 4.727001 57.66165 4.496458 10.08338       6.524007 
1 1 1 -11 15 17 o 49.38482 4.072929 294.1391       47.63133 341.9150       77.54386 265.1908       60.36073 52.44367 6.111559 46.32597 5.385521 6.117702       8.145858 
1 1 1 -11 15 18 o 156.0364 3.842239 2988.618       145.0483 0.000000       0.000000 2988.618       145.0483 ?        ?        156.0364 3.842239 ?              ?        
1 1 1 -11 15 19 f 72.74959 3.124127 650.4294       53.55376 686.0113       87.07211 628.7792       67.91960 74.14120 4.854193 71.35797 3.934144 2.783234       6.248254 
1 1 1 -11 15 20 o 34.01841 7.282033 168.9024       65.62271 219.0363       99.22170 129.9227       87.49043 38.08331 10.45202 29.95352 10.14235 8.129797       14.56407 
1 1 1 -11 17 1  o 75.84104 3.094898 696.6326       56.61582 626.1144       79.00693 771.0660       81.17062 71.89248 4.542338 79.78960 4.204847 -7.897125      6.189795 
1 1 1 -11 17 2  o 502.6090 6.401517 30553.50       774.8472 28981.97       1037.639 32534.42       1164.982 488.1671 8.785681 517.0509 9.312868 -28.88376      12.80303 
1 1 1 -11 17 3  o 190.8023 3.036746 4399.761       140.0113 4616.904       204.2457 4207.266       192.3050 195.2318 4.324143 186.3729 4.264867 8.858810       6.073492 
1 1 1 -11 17 4  o 146.6293 2.754161 2599.766       97.62608 2500.074       134.8573 2709.538       141.5111 143.6809 3.879476 149.5776 3.910405 -5.896652      5.508321 
1 1 1 -11 17 5  o 443.4102 5.689130 23890.39       610.0635 23475.50       848.1754 24335.09       878.1238 439.4424 7.977769 447.3779 8.112952 -7.935577      11.37826 
1 1 1 -11 17 6  o 335.8087 4.463702 13675.09       362.4450 13379.67       502.3837 13995.75       523.4122 332.0396 6.253790 339.5776 6.370924 -7.537994      8.927404 
1 1 1 -11 17 7  o 108.3549 2.745395 1422.074       71.96416 1395.618       101.4114 1448.911       102.1379 107.3389 3.905056 109.3708 3.859963 -2.031914      5.490791 
1 1 1 -11 17 8  o 248.6741 3.550437 7459.809       212.9318 7026.430       287.4861 7986.485       316.9236 240.7249 4.936208 256.6233 5.104534 -15.89842      7.100874 
1 1 1 -11 17 9  o 67.21415 3.400900 548.1022       55.11524 608.6827       78.85907 490.2521       77.06145 70.85364 4.600311 63.57466 5.010151 7.278980       6.801799 
1 1 1 -11 17 10 o 107.1167 2.761799 1390.559       71.54197 1447.956       101.8673 1334.695       100.4979 109.3005 3.852213 104.9330 3.958609 4.367500       5.523597 
1 1 1 -11 17 11 o 185.8734 3.019800 4191.977       135.7918 4144.307       190.8551 4240.848       193.2444 184.8036 4.268655 186.9431 4.272627 -2.139572      6.039599 
1 1 1 -11 17 12 o 106.7760 2.802576 1375.119       72.15447 1532.759       106.8513 1242.978       97.82837 112.3680 3.930380 101.1841 3.996230 11.18398       5.605153 
1 1 1 -11 17 13 o 109.5571 2.752522 1443.438       72.51001 1600.456       110.2706 1323.825       96.24392 114.7400 3.972304 104.3742 3.811341 10.36581       5.505045 
1 1 1 -11 17 14 o 61.76144 3.623443 458.6400       53.66911 539.0723       82.51094 399.6548       70.65904 66.37141 5.138403 57.15147 5.110202 9.219940       7.246886 
1 1 1 -11 17 15 o 48.49667 4.471139 287.3565       51.36974 378.7707       77.20958 214.7514       68.80945 55.42322 5.758072 41.57012 6.841708 13.85310       8.942279 
1 1 1 -11 17 16 o 18.28369 5.435430 1.063010       43.43391 -54.74096      69.14053 37.44096       55.82379 16.02057 7.437478 20.54680 7.928401 -4.526234      10.87086 
1 1 1 -11 17 17 o 21.49994 6.097733 34.59472       46.74432 41.53887       77.88898 30.68577       58.43808 22.95327 9.206837 20.04661 7.997724 2.906664       12.19547 
1 1 1 -11 17 18 o 95.14595 2.940387 1103.558       66.88434 1225.640       104.7034 1019.399       86.93343 99.42433 4.352769 90.86758 3.954354 8.556755       5.880775 
1 1 1 -11 17 19 o 45.96056 5.024403 259.7438       52.25836 402.1908       87.81487 181.6367       65.02595 55.56829 6.531888 36.35284 7.636291 19.21545       10.04881 
1 1 1 -11 17 20 o 22.49049 6.992852 0.2179574      78.91879 -97.37062      112.0307 96.34741       111.1901 18.27218 8.768146 26.70879 10.89585 -8.436607      13.98570 
1 1 1 -11 19 1  o 201.2979 3.162659 4901.726       153.8727 5103.876       223.7952 4720.479       211.9088 205.2245 4.507329 197.3713 4.437750 7.853256       6.325317 
1 1 1 -11 19 2  o 263.0315 3.722001 8379.130       236.6606 8640.312       343.3353 8142.697       326.6640 266.9254 5.316505 259.1376 5.210369 7.787720       7.444003 
1 1 1 -11 19 3  o 166.1247 2.916192 3340.318       117.1381 3251.890       162.2912 3436.485       169.2440 163.8337 4.094392 168.4158 4.153632 -4.582153      5.832384 
1 1 1 -11 19 4  o 320.3223 4.309655 12415.35       333.2288 13036.26       491.8515 11888.55       453.0496 327.6808 6.204127 312.9637 5.983419 14.71704       8.619310 
1 1 1 -11 19 5  o 37.82713 5.764091 181.4541       51.15678 192.3166       70.62409 169.4632       74.20166 39.08206 7.742955 36.57221 8.540822 2.509853       11.52818 
1 1 1 -11 19 6  o 230.7687 3.416079 6446.822       190.5320 6215.940       262.3329 6704.589       277.1862 226.4082 4.789148 235.1291 4.872623 -8.720886      6.832159 
1 1 1 -11 19 7  o 311.4836 4.223239 11781.32       318.1707 11977.54       456.6162 11596.14       443.5893 313.9952 6.010713 308.9720 5.934165 5.023132       8.446478 
1 1 1 -11 19 8  o 151.9942 2.870873 2794.664       105.4251 2684.388       144.5233 2920.082       154.1269 148.8006 4.014497 155.1878 4.105053 -6.387192      5.741746 
1 1 1 -11 19 9  o 74.88480 3.248164 680.2153       58.78420 693.4920       85.47250 668.2987       80.97642 75.57269 4.674759 74.19690 4.510976 1.375786       6.496328 
1 1 1 -11 19 10 o 186.0847 3.044245 4200.797       136.9662 4336.623       198.0918 4076.384       189.5869 188.9587 4.333086 183.2107 4.277157 5.747971       6.088490 
1 1 1 -11 19 11 o 280.1346 3.901738 9540.784       263.7747 10028.78       390.1873 9130.068       357.9604 286.6617 5.626019 273.6075 5.407602 13.05414       7.803477 
1 1 1 -11 19 12 o 67.90762 3.625149 562.1740       59.48438 588.2473       86.82035 539.1060       81.66352 69.38239 5.172136 66.43284 5.080927 2.949554       7.250298 
1 1 1 -11 19 13 o 92.96429 2.993350 1040.192       66.39200 1140.434       104.6324 972.6294       85.89968 96.61272 4.476408 89.31587 3.975215 7.296852       5.986699 
1 1 1 -11 19 14 o 27.30326 6.302045 89.41616       50.31551 45.85748       72.76351 129.3294       69.65216 23.15305 9.018847 31.45347 8.804742 -8.300417      12.60409 
1 1 1 -11 19 15 o 52.92093 4.302970 345.7764       54.80040 399.0703       81.60457 302.0028       73.95746 56.63437 5.955690 49.20750 6.212243 7.426868       8.605940 
1 1 1 -11 19 16 o 32.51086 6.507414 144.2505       52.74942 133.9395       86.31459 150.3971       66.64232 31.56228 10.04303 33.45945 8.277885 -1.897167      13.01483 
1 1 1 -11 19 17 o 25.64017 6.500594 72.73364       50.69239 119.0892       82.96405 45.11667       64.03643 29.61794 9.876870 21.66240 8.454484 7.955545       13.00119 
1 1 1 -11 19 18 o 22.80655 6.161913 6.533365       53.26308 141.0828       88.56378 -69.70833      66.66709 31.06785 10.19734 14.54525 6.920333 16.52260       12.32383 
1 1 1 -11 19 19 o 76.82124 3.823085 744.8610       69.63608 886.3746       113.0394 658.3118       88.40206 82.24487 5.680923 71.39762 5.117718 10.84724       7.646171 
1 1 1 -11 21 1  o 196.2110 3.152966 4667.061       149.6411 4604.860       209.0020 4732.485       214.3481 194.8727 4.432993 197.5492 4.484790 -2.676437      6.305932 
1 1 1 -11 21 2  o 122.1305 2.906125 1809.488       85.80228 1875.977       120.6796 1741.518       122.0170 124.4072 4.009461 119.8538 4.207905 4.553360       5.812249 
1 1 1 -11 21 3  o 82.26994 3.296455 821.2719       65.58978 845.2610       92.66225 797.1834       92.85396 83.47791 4.588058 81.06197 4.734574 2.415939       6.592911 
1 1 1 -11 21 4  o 191.6944 3.126695 4456.321       144.9876 4411.342       202.9171 4503.235       207.2380 190.7092 4.397894 192.6797 4.445607 -1.970520      6.253391 
1 1 1 -11 21 5  o 293.7162 4.057800 10466.03       287.9384 10893.51       421.1668 10090.87       394.5480 299.3156 5.815973 288.1169 5.660162 11.19879       8.115601 
1 1 1 -11 21 6  o 197.7618 3.158142 4747.263       151.0928 4714.597       212.1254 4780.904       215.2642 197.0740 4.448987 198.4496 4.483522 -1.375641      6.316285 
1 1 1 -11 21 7  o 77.17853 4.028828 726.8359       71.26847 720.5235       121.8807 730.1157       87.85332 76.84119 6.555995 77.51588 4.684521 -0.6746902     8.057655 
1 1 1 -11 21 8  o 81.43996 3.209403 809.3152       62.98801 742.9769       90.33543 872.0857       87.87260 78.15816 4.777288 84.72176 4.287026 -6.563599      6.418807 
1 1 1 -11 21 9  o 33.37514 5.705479 143.1377       52.29675 36.29181       77.40399 232.8734       70.93610 23.16904 9.216739 43.58123 6.727682 -20.41219      11.41096 
1 1 1 -11 21 10 o 100.8106 2.978017 1226.266       72.29614 1375.887       108.5145 1106.848       96.94524 106.2875 4.219910 95.33372 4.203176 10.95382       5.956033 
1 1 1 -11 21 11 o 34.90269 6.260982 160.4041       53.72902 122.4601       78.30858 194.1554       73.85544 31.03452 9.521080 38.77087 8.133179 -7.736341      12.52196 
1 1 1 -11 21 12 o 88.73175 3.205922 964.5701       68.59644 957.6542       100.9807 970.4960       93.47365 88.39086 4.722030 89.07265 4.337530 -0.6817856     6.411843 
1 1 1 -11 21 13 o 47.98212 5.156203 286.6433       57.40987 374.6104       87.73251 220.7667       75.92181 54.78281 6.619328 41.18142 7.907605 13.60139       10.31241 
1 1 1 -11 21 14 o 74.37355 3.541934 676.1951       63.06388 740.0046       98.00222 631.0989       82.38788 77.25250 5.243497 71.49460 4.763079 5.757904       7.083868 
1 1 1 -11 21 15 o 39.86423 6.307912 218.7132       59.31076 192.2896       87.33620 241.3302       80.80070 37.24230 9.623765 42.48617 8.157337 -5.243870      12.61582 
1 1 1 -11 21 16 o 38.28386 6.758179 208.5655       62.39614 198.5054       91.29851 217.3825       85.47228 37.19343 9.950988 39.37429 9.147120 -2.180859      13.51636 
1 1 1 -11 21 17 o 21.28758 6.383412 8.990245       62.60772 -81.23826      96.50761 74.55784       82.26864 17.71239 8.397700 24.86277 9.616155 -7.150383      12.76682 
1 1 1 -11 21 18 o 24.90314 7.062448 73.68362       65.49665 125.3232       99.65477 34.41508       86.90186 28.27880 10.67045 21.52747 9.254951 6.751329       14.12490 
1 1 1 -11 23 1  o 63.38341 3.954003 491.2693       60.29361 432.4792       85.38135 549.7484       85.15520 59.55920 5.925321 67.20763 5.237093 -7.648430      7.908007 
1 1 1 -11 23 2  f 113.1538 2.962565 1554.424       81.08656 1524.776       113.2792 1585.578       116.1211 112.0488 4.178692 114.2587 4.200680 -2.209831      5.925131 
1 1 1 -11 23 3  o 64.07290 3.858592 500.4319       59.77230 486.2427       85.28802 514.1282       83.79340 63.16951 5.580566 64.97630 5.330311 -1.806789      7.717184 
1 1 1 -11 23 4  o 79.51376 3.347553 767.3545       64.30794 803.1496       94.03828 735.9099       88.13847 81.24677 4.784056 77.78076 4.683721 3.466003       6.695105 
1 1 1 -11 23 5  f 106.5991 2.959519 1381.511       76.31658 1354.544       107.8617 1408.544       107.9943 105.5525 4.223733 107.6457 4.146695 -2.093193      5.919037 
1 1 1 -11 23 6  o 63.19734 3.922180 493.1568       59.31372 430.0958       86.41534 549.3301       81.55964 59.28035 6.025288 67.11433 5.022937 -7.833977      7.844360 
1 1 1 -11 23 7  o 144.2420 2.971144 2484.882       102.6681 2929.134       158.9589 2166.915       134.4809 155.0822 4.236629 133.4017 4.166745 21.68051       5.942288 
1 1 1 -11 23 8  o 107.6289 3.023358 1413.793       78.61622 1391.073       113.6968 1434.607       108.8235 106.7738 4.401305 108.4841 4.146237 -1.710388      6.046715 
1 1 1 -11 23 9  o 53.54961 4.594893 354.2179       59.44918 361.8492       86.70883 347.4484       81.66533 54.06967 6.628379 53.02956 6.365279 1.040112       9.189787 
1 1 1 -11 23 10 o 57.84810 4.318609 415.5060       60.21782 381.4838       86.10584 448.0746       84.24631 55.45464 6.417893 60.24156 5.780327 -4.786922      8.637218 
1 1 1 -11 23 11 o 91.17632 3.403732 1018.909       74.68715 881.6813       102.5609 1173.846       108.9781 84.60040 5.010799 97.75224 4.607977 -13.15184      6.807464 
1 1 1 -11 23 12 o 51.89671 5.113155 345.2343       60.04308 476.0045       88.41188 233.2907       81.80047 61.78183 5.914902 42.01158 8.342142 19.77025       10.22631 
1 1 1 -11 23 13 o 155.0668 3.047991 2945.615       113.8774 3213.469       170.7897 2731.213       152.8016 161.3203 4.375932 148.8134 4.244081 12.50691       6.095983 
1 1 1 -11 23 14 o 36.45288 6.410588 191.5613       58.99413 113.7284       88.05132 254.9593       79.46796 29.25941 10.16601 43.64635 7.812472 -14.38694      12.82118 
1 1 1 -11 23 15 o 42.55294 6.175660 253.1607       61.33450 245.2526       83.77570 262.2963       90.04318 41.93944 8.546487 43.16645 8.916986 -1.227009      12.35132 
1 1 1 -11 23 16 o 47.47054 6.005022 327.1550       65.57495 235.4790       94.21040 413.3120       91.33060 39.30236 9.909979 55.63871 6.784798 -16.33635      12.01004 
1 1 1 -11 23 17 o 56.41615 5.423365 455.4066       73.87070 435.6127       105.7643 474.2596       103.2201 54.87623 7.966220 57.95606 7.361445 -3.079830      10.84673 
1 1 1 -11 25 1  o 60.68520 4.190062 452.6983       61.32912 447.6139       90.04005 457.0987       83.76451 60.32854 6.168941 61.04186 5.671918 -0.7133217     8.380124 
1 1 1 -11 25 2  o 98.54135 3.148417 1185.876       74.99801 1157.525       107.4373 1212.822       104.7405 97.37061 4.560633 99.71209 4.341746 -2.341484      6.296835 
1 1 1 -11 25 3  o 147.1197 2.934203 2634.212       104.3309 2748.473       151.8245 2531.980       143.6104 150.1283 4.180007 144.1111 4.118947 6.017197       5.868405 
1 1 1 -11 25 4  o 107.8033 3.002531 1410.168       78.06935 1525.551       116.0828 1314.882       105.4894 111.7964 4.291782 103.8102 4.200165 7.986252       6.005063 
1 1 1 -11 25 5  o 133.6196 2.931603 2162.670       94.40061 2389.015       141.1359 1979.431       126.9874 139.8905 4.170105 127.3487 4.121579 12.54174       5.863207 
1 1 1 -11 25 6  o 108.3893 4.528798 1438.005       118.7604 1438.005       118.7604 0.000000       0.000000 108.3893 4.528798 ?        ?        ?              ?        
1 1 1 -11 25 7  o 47.64225 5.603135 285.3394       62.86448 330.6315       95.35262 250.5172       83.60818 51.32485 7.678964 43.95965 8.161739 7.365200       11.20627 
1 1 1 -11 25 8  o 33.78359 6.527473 146.0781       63.67165 28.38070       92.54995 251.8441       87.73360 23.73810 9.838732 43.82908 8.580850 -20.09098      13.05495 
1 1 1 -11 25 9  o 74.10770 3.874431 682.4465       69.08228 598.7769       97.29329 767.5197       98.10596 69.40942 5.793782 78.80598 5.145575 -9.396561      7.748861 
1 1 1 -11 25 10 o 32.31742 6.613355 136.7049       61.65926 41.13065       90.13156 220.7805       84.53590 24.08815 9.816437 40.54670 8.864728 -16.45855      13.22671 
1 1 1 -11 25 11 o 34.68469 7.259818 167.2677       65.22033 165.8186       91.86095 168.7408       92.61461 34.54618 10.25095 34.82321 10.28289 -0.2770309     14.51964 
1 1 1 -11 25 12 o 29.17156 7.135241 110.0536       63.99853 154.6715       88.47057 61.07608       92.69213 33.12572 10.11265 25.21740 10.06882 7.908319       14.27048 
1 1 1 -11 25 13 o 34.31624 6.758744 168.4981       60.27498 224.6014       86.23755 114.9135       84.27956 39.78788 9.149648 28.84459 9.950196 10.94329       13.51749 
1 1 1 -11 25 14 o 21.47297 6.600625 9.010123       66.51996 57.52161       90.57134 -47.80401      98.01593 23.92338 9.805156 19.02256 8.839225 4.900824       13.20125 
1 1 1 -11 25 15 o 26.09680 7.043163 78.44199       68.77825 175.1329       99.43449 -10.25529      95.23560 32.36570 10.81324 19.82789 9.027653 12.53781       14.08633 
1 1 1 -11 27 1  o 70.00975 4.028658 611.6189       67.67591 548.1973       98.44418 668.4492       93.18832 66.41515 6.126615 73.60434 5.233060 -7.189186      8.057316 
1 1 1 -11 27 2  o 24.22575 6.652008 48.29684       58.17253 1.448300       88.03323 84.61027       77.50546 21.54900 9.289766 26.90250 9.523500 -5.353500      13.30402 
1 1 1 -11 27 3  o 33.24892 7.056152 145.6711       60.96027 155.6295       92.00170 137.8772       81.39170 34.18482 10.28508 32.31301 9.663036 1.871803       14.11230 
1 1 1 -11 27 4  o 85.95630 3.567666 915.5479       73.84866 859.9978       107.5316 965.1352       101.5965 83.37941 5.330585 88.53319 4.743188 -5.153778      7.135333 
1 1 1 -11 27 5  o 70.45297 4.057905 609.3010       68.60665 679.9863       105.5574 557.6023       90.27427 73.88892 5.904826 67.01703 5.567709 6.871887       8.115809 
1 1 1 -11 27 6  o 49.34892 5.682294 326.7241       63.75252 248.9930       95.06018 390.2651       85.94647 42.93357 9.411232 55.76427 6.370445 -12.83070      11.36459 
1 1 1 -11 27 7  o 105.4543 3.354147 1373.643       85.49846 1445.537       123.9553 1308.398       118.0844 108.0833 4.740282 102.8254 4.746677 5.257820       6.708294 
1 1 1 -11 27 8  o 45.32310 8.719205 302.4653       100.5563 225.4610       141.9050 380.1309       142.5131 39.27121 12.90883 51.37500 11.72434 -12.10379      17.43841 
1 1 1 -11 27 9  o 47.71735 5.703559 306.1852       63.26890 257.4875       91.99401 349.8930       87.15355 43.24326 9.082009 52.19144 6.902135 -8.948177      11.40712 
1 1 1 -11 27 10 o 23.50403 6.797152 41.40728       62.38948 10.77650       87.37858 73.26474       89.11104 21.31292 9.221395 25.69514 9.988541 -4.382221      13.59430 
1 1 1 -11 27 11 o 68.08231 4.475022 597.1452       73.45807 538.2195       99.72931 667.0307       108.6085 64.38014 6.402780 71.78447 6.253614 -7.404327      8.950044 
1 1 1 -11 27 12 o 68.03101 4.872916 618.3086       80.10632 655.5552       114.0195 582.0034       112.5692 70.22001 6.711446 65.84200 7.066664 4.378014       9.745832 
1 1 1 -11 27 13 o 40.13791 7.243938 267.2191       73.35999 335.3173       100.3857 189.1710       107.4696 47.09467 9.140097 33.18116 11.24087 13.91351       14.48788 
1 1 1 -11 29 1  o 95.66206 3.459453 1136.088       79.92099 1185.443       117.3938 1093.452       109.1109 97.54841 4.974194 93.77572 4.809227 3.772690       6.918907 
1 1 1 -11 29 2  o 50.46581 5.527767 330.9061       67.42899 334.0125       97.62684 328.0724       93.24217 50.62272 7.971159 50.30890 7.660644 0.3138237      11.05553 
1 1 1 -11 29 3  o 92.33894 3.648631 1070.699       81.09199 993.9988       117.7548 1139.883       111.8367 88.99512 5.469027 95.68276 4.831127 -6.687645      7.297263 
1 1 1 -11 29 4  o 60.70828 6.418685 518.1910       84.09846 563.9192       104.2957 433.1945       142.1919 66.46957 6.485466 54.94698 11.07866 11.52259       12.83737 
1 1 1 -11 29 5  o 47.96221 8.279920 341.8201       96.79738 429.2683       139.3154 260.2023       134.5911 54.59022 10.92955 41.33421 12.44079 13.25601       16.55984 
1 1 1 -11 29 6  o 29.65576 8.533639 94.45277       97.41036 55.64545       142.4983 128.4949       133.4632 27.85236 11.90918 31.45915 12.22552 -3.606789      17.06728 
1 1 1 -11 29 7  o 28.88271 8.386910 89.78130       95.12425 121.4753       128.1924 50.94587       141.9018 30.48957 11.94476 27.27585 11.77640 3.213718       16.77382 
1 1 1 -11 29 8  o 32.09603 9.320162 140.0596       115.2241 113.8965       153.3878 173.9441       174.5607 30.35443 12.63060 33.83763 13.70874 -3.483196      18.64032 
1 1 1 -11 29 9  f 38.88006 9.783952 277.5107       115.9950 264.7234       165.6011 289.8275       162.5255 38.01267 13.86165 39.74745 13.81149 -1.734776      19.56790 
1 1 1 -11 29 10 o 29.72885 8.849916 131.8417       109.2693 86.49613       151.7078 180.7258       157.5159 27.43489 12.00619 32.02280 13.00521 -4.587915      17.69983 
1 1 1 -11 29 11 o 32.14730 8.757123 185.8895       115.4835 340.8685       152.5529 -22.12968      176.7403 40.53716 13.38725 23.75745 11.29293 16.77970       17.51425 
1 1 1 -10 0  1  o 96.70872 2.000487 1134.418       66.06584 1134.418       66.06584 1134.418       66.06584 96.70872 2.829116 96.70872 2.829116 0.000000       0.000000 
1 1 1 -10 0  2  o 541.6047 9.618723 35657.35       1779.909 35657.35       1779.909 35657.35       1779.909 541.6047 13.60293 541.6047 13.60293 0.000000       0.000000 
1 1 1 -10 0  3  o 37.67361 1.830016 174.1270       23.33339 174.1270       23.33339 174.1270       23.33339 37.67361 2.588033 37.67361 2.588033 0.000000       0.000000 
1 1 1 -10 0  4  o 38.95114 1.784693 185.8506       23.55583 185.8506       23.55583 185.8506       23.55583 38.95114 2.523937 38.95114 2.523937 0.000000       0.000000 
1 1 1 -10 0  6  o 124.7810 2.199106 1887.194       93.75664 1887.194       93.75664 1887.194       93.75664 124.7810 3.110006 124.7810 3.110006 0.000000       0.000000 
1 1 1 -10 0  7  o 193.5275 2.851752 4537.044       188.6453 4537.044       188.6453 4537.044       188.6453 193.5275 4.032987 193.5275 4.032987 0.000000       0.000000 
1 1 1 -10 2  2  o 258.0252 3.517102 8059.738       219.5530 8017.561       309.2086 8102.624       311.7972 257.3448 4.966312 258.7057 4.981543 -1.360931      7.034204 
1 1 1 -10 2  3  o 674.4803 16.81548 55502.68       2743.979 55502.68       2743.979 0.000000       0.000000 674.4803 16.81548 ?        ?        ?              ?        
1 1 1 -10 2  5  o 149.5402 2.423316 2699.987       87.57444 2578.329       120.4375 2836.477       127.5678 145.9738 3.410238 153.1066 3.443853 -7.132889      4.846632 
1 1 1 -10 2  6  o 441.8199 5.604031 23638.46       598.9976 23785.80       852.4104 23494.74       841.9083 443.1783 7.950015 440.4615 7.900499 2.716827       11.20806 
1 1 1 -10 2  7  o 457.3933 5.791124 25329.77       640.8259 25466.20       910.8605 25196.06       901.7377 458.6118 8.209267 456.1749 8.170461 2.436890       11.58225 
1 1 1 -10 2  8  o 813.3536 14.30615 80431.34       2813.911 79369.42       3911.441 81570.49       4051.179 807.8394 20.01287 818.8679 20.44868 -11.02844      28.61230 
1 1 1 -10 2  9  o 369.6050 6.766363 16547.79       605.0131 16418.80       849.5148 16680.55       861.8541 368.1453 9.537827 371.0646 9.600235 -2.919312      13.53273 
1 1 1 -10 2  10 o 204.3309 4.199689 5051.390       207.5247 5165.973       298.8460 4944.676       288.4011 206.5662 5.979789 202.0957 5.898446 4.470535       8.399378 
1 1 1 -10 4  1  o 247.5219 3.429614 7416.160       205.3680 7383.077       288.5241 7450.132       292.3826 246.9632 4.828893 248.0807 4.871428 -1.117462      6.859229 
1 1 1 -10 4  2  o 403.5567 5.165594 19691.16       503.5404 19061.74       689.0529 20412.51       737.6564 396.6607 7.180110 410.4527 7.428287 -13.79202      10.33119 
1 1 1 -10 4  4  o 163.0938 3.636793 3218.737       143.5021 0.000000       0.000000 3218.737       143.5021 ?        ?        163.0938 3.636793 ?              ?        
1 1 1 -10 4  5  o 255.1380 3.494558 7878.220       215.7090 7894.836       305.5446 7861.710       304.5750 255.4062 4.944712 254.8699 4.939390 0.5362701      6.989117 
1 1 1 -10 4  6  o 90.31693 2.045111 986.7241       44.67887 1014.823       63.59224 959.3329       62.78641 91.58659 2.869920 89.04726 2.914357 2.539330       4.090223 
1 1 1 -10 4  7  o 291.2415 3.896303 10262.70       274.5027 10385.37       392.2549 10144.96       384.2789 292.9463 5.534495 289.5368 5.485806 3.409515       7.792606 
1 1 1 -10 4  9  o 475.3329 6.009672 27358.54       690.9426 27740.42       990.6157 26996.76       964.2005 478.5579 8.555954 472.1079 8.441580 6.449951       12.01934 
1 1 1 -10 4  10 o 414.7905 5.307672 20842.64       532.5808 20643.50       746.3793 21049.21       760.1763 412.7751 7.473839 416.8058 7.538384 -4.030670      10.61534 
1 1 1 -10 4  11 o 269.9895 3.666554 8827.964       239.4910 8884.501       340.5869 8772.668       336.8272 270.8437 5.197649 269.1353 5.172902 1.708466       7.333107 
1 1 1 -10 4  12 o 243.6591 4.784553 7194.610       281.8744 7024.390       390.3253 7380.131       407.4896 240.6559 6.703906 246.6623 6.828281 -6.006439      9.569106 
1 1 1 -10 4  13 o 486.2090 8.772714 28910.49       1031.785 28602.02       1443.632 29232.60       1475.210 483.5875 12.33897 488.8304 12.47364 -5.242950      17.54543 
1 1 1 -10 4  14 o 142.0269 3.369830 2434.890       115.5407 2291.493       157.2336 2603.212       170.3521 137.5021 4.726435 146.5518 4.804564 -9.049667      6.739660 
1 1 1 -10 4  15 o 216.6596 4.438135 5692.392       232.4087 5505.057       320.0960 5901.250       337.9841 212.9043 6.214321 220.4149 6.338011 -7.510590      8.876270 
1 1 1 -10 6  1  f 180.9820 2.762419 3962.944       120.9420 3913.518       169.4707 4014.240       172.6492 179.8324 3.895150 182.1315 3.918116 -2.299072      5.524837 
1 1 1 -10 6  2  o 393.6632 7.147672 18768.59       680.7563 0.000000       0.000000 18768.59       680.7563 ?        ?        393.6632 7.147672 ?              ?        
1 1 1 -10 6  3  o 233.1684 3.278131 6578.244       184.8986 6497.312       258.7753 6662.659       264.2840 231.7039 4.616226 234.6328 4.655645 -2.928848      6.556262 
1 1 1 -10 6  4  o 590.6337 7.361845 42280.90       1051.965 42417.38       1492.423 42146.13       1483.027 591.5792 10.42742 589.6882 10.39500 1.890930       14.72369 
1 1 1 -10 6  5  o 505.2539 6.351385 30918.15       776.3907 30909.83       1097.516 30926.47       1098.449 505.1861 8.979603 505.3217 8.984827 -0.1355591     12.70277 
1 1 1 -10 6  6  o 1097.749 19.15636 147157.6       5087.229 148245.1       7251.310 146103.5       7138.865 1101.699 27.20516 1093.800 26.97672 7.899048       38.31271 
1 1 1 -10 6  7  o 453.3438 5.745850 24878.49       630.0925 25170.13       901.5654 24600.03       880.9624 455.9379 8.173145 450.7496 8.078295 5.188263       11.49170 
1 1 1 -10 6  8  o 514.3639 6.458887 32048.03       803.7651 32089.43       1138.342 32006.86       1135.056 514.6946 9.141569 514.0332 9.126915 0.6614380      12.91777 
1 1 1 -10 6  9  o 374.8502 4.843797 17015.54       439.2831 17045.27       622.1907 16986.00       620.2939 375.1763 6.854659 374.5240 6.845665 0.6523132      9.687593 
1 1 1 -10 6  10 o 375.6661 4.852354 17101.43       441.0184 17111.95       623.8673 17090.91       623.5212 375.7816 6.862058 375.5506 6.862471 0.2310486      9.704707 
1 1 1 -10 6  11 o 240.2389 3.355776 6989.767       195.0466 6996.495       275.8902 6983.043       275.7849 240.3545 4.744405 240.1232 4.747162 0.2313385      6.711552 
1 1 1 -10 6  12 o 145.5179 2.459681 2563.558       86.59553 2553.688       122.2482 2573.499       122.6821 145.2368 3.479072 145.7991 3.477957 -0.5623322     4.919363 
1 1 1 -10 6  13 o 247.0090 3.428598 7393.852       204.8882 7434.460       291.2177 7354.050       288.3154 247.6795 4.859878 246.3385 4.837636 1.341034       6.857196 
1 1 1 -10 6  14 o 179.8569 2.747754 3918.264       119.5605 3950.828       170.0794 3886.452       168.1059 180.5952 3.892631 179.1187 3.879178 1.476517       5.495508 
1 1 1 -10 6  15 o 160.5046 2.998836 3040.852       98.07575 2973.739       111.2242 3275.431       207.9406 156.7128 2.933544 164.2965 5.231290 -7.583694      5.997673 
1 1 1 -10 6  16 o 290.1221 5.545016 10266.26       388.6926 9941.702       533.2618 10634.15       567.7462 285.2815 7.726177 294.9628 7.955815 -9.681335      11.09003 
1 1 1 -10 6  17 o 167.0550 3.716113 3394.740       150.0819 3293.278       207.4134 3506.246       217.4369 164.4472 5.213244 169.6628 5.297176 -5.215576      7.432226 
1 1 1 -10 6  18 o 43.93249 2.840979 233.8992       30.12589 215.5860       41.08110 255.2052       44.31087 42.07941 4.035247 45.78556 4.000180 -3.706142      5.681959 
1 1 1 -10 8  1  f 639.1240 7.944169 49445.54       1226.997 50899.39       1787.108 48149.02       1687.633 647.9800 11.39953 630.2680 11.06752 17.71198       15.88834 
1 1 1 -10 8  2  o 905.2317 13.65635 100091.7       2838.642 100945.1       3509.594 98477.10       4827.201 911.6816 15.91151 898.7818 22.19927 12.89978       27.31271 
1 1 1 -10 8  3  o 448.9582 5.698263 24398.60       618.7975 24098.74       863.9250 24714.52       886.7449 446.1290 8.004113 451.7873 8.112643 -5.658264      11.39653 
1 1 1 -10 8  4  o 655.5326 8.146467 52069.01       1291.921 52514.00       1840.294 51636.60       1814.092 658.2904 11.55493 652.7747 11.48666 5.515686       16.29293 
1 1 1 -10 8  5  o 661.3384 8.208759 52995.39       1313.297 53416.42       1872.688 52587.94       1842.252 663.9177 11.65867 658.7590 11.55900 5.158752       16.41752 
1 1 1 -10 8  6  o 384.4080 4.952504 17885.55       460.5475 18047.90       657.0591 17728.76       645.7141 386.1214 7.033610 382.6945 6.974060 3.426819       9.905008 
1 1 1 -10 8  7  o 297.9816 3.991204 10744.48       287.6887 10868.69       411.4301 10625.66       402.4259 299.6654 5.674886 296.2978 5.613778 3.367615       7.982408 
1 1 1 -10 8  8  o 135.9460 2.467512 2234.442       81.11354 2183.632       112.4778 2289.501       117.0846 134.3373 3.460730 137.5547 3.518211 -3.217392      4.935024 
1 1 1 -10 8  9  o 446.7386 5.682034 24186.54       613.9440 23840.68       855.6858 24553.49       881.3799 443.4557 7.975571 450.0215 8.095201 -6.565735      11.36407 
1 1 1 -10 8  10 o 141.8970 3.518003 2437.125       120.7735 0.000000       0.000000 2437.125       120.7735 ?        ?        141.8970 3.518003 ?              ?        
1 1 1 -10 8  11 o 247.0989 3.443807 7396.296       205.8729 7450.526       292.5205 7343.073       289.7950 247.9959 4.875391 246.2019 4.865162 1.794067       6.887614 
1 1 1 -10 8  12 o 334.4648 4.400250 13568.95       356.0291 13456.28       499.2115 13685.59       507.9032 333.0561 6.195337 335.8736 6.250328 -2.817444      8.800500 
1 1 1 -10 8  13 o 171.1860 2.719357 3538.307       112.4270 3738.818       165.0934 3364.906       153.5276 175.6923 3.883960 166.6798 3.807160 9.012512       5.438714 
1 1 1 -10 8  14 o 91.38426 2.300138 1009.578       50.80746 1052.376       73.80556 971.0286       70.04688 93.22139 3.272436 89.54713 3.233217 3.674255       4.600275 
1 1 1 -10 8  15 o 122.9843 2.369696 1821.656       70.29558 2016.590       103.8823 1656.999       95.47492 129.0192 3.328011 116.9494 3.374342 12.06986       4.739392 
1 1 1 -10 8  16 o 135.5632 2.397649 2226.019       78.59865 2304.481       113.2865 2153.197       109.1399 137.8637 3.396456 133.2627 3.385110 4.601013       4.795298 
1 1 1 -10 8  17 o 126.1181 2.745935 1938.353       71.23727 1943.259       81.61864 1922.665       145.9581 126.6072 2.664580 125.6290 4.802150 0.9781342      5.491870 
1 1 1 -10 8  18 o 104.4453 3.138002 1331.451       79.21229 1321.832       109.3808 1342.058       114.8666 104.0689 4.344281 104.8217 4.529398 -0.7528000     6.276004 
1 1 1 -10 8  19 o 54.17993 3.305020 355.5990       42.97995 324.9257       56.59828 397.3825       66.05796 51.47662 4.544550 56.88325 4.799969 -5.406635      6.610041 
1 1 1 -10 8  20 o 19.47519 4.554470 45.00550       27.28568 67.90006       34.49532 6.737657       44.59754 22.89924 6.112245 16.05114 6.753758 6.848108       9.108940 
1 1 1 -10 10 1  f 525.6620 6.609418 33462.85       840.5322 33291.96       1182.284 33637.50       1195.206 524.3068 9.320386 527.0173 9.373795 -2.710449      13.21884 
1 1 1 -10 10 2  o 270.9127 3.710303 8868.155       242.9407 9170.018       353.4127 8597.728       334.5064 275.2756 5.306549 266.5497 5.187092 8.725983       7.420605 
1 1 1 -10 10 3  o 225.3705 3.252695 6142.024       177.2727 6021.864       246.1945 6271.403       255.4653 223.0834 4.561512 227.6576 4.638180 -4.574142      6.505390 
1 1 1 -10 10 4  o 727.4843 9.008245 64113.52       1584.329 62746.24       2190.583 65613.17       2294.164 719.3794 12.58634 735.5891 12.89101 -16.20966      18.01649 
1 1 1 -10 10 5  o 532.2161 6.689591 34310.28       861.3029 34553.63       1227.294 34074.10       1209.043 534.0725 9.498305 530.3597 9.422565 3.712830       13.37918 
1 1 1 -10 10 6  o 462.8533 5.864021 25945.09       656.5971 26180.46       936.5133 25717.53       920.8225 464.9153 8.326026 460.7912 8.259798 4.124084       11.72804 
1 1 1 -10 10 7  o 334.0413 4.397202 13487.32       354.9055 13064.46       487.0638 13965.98       518.2070 328.4741 6.128900 339.6086 6.306993 -11.13449      8.794405 
1 1 1 -10 10 8  o 422.8159 5.404607 21663.66       552.6917 21330.73       770.0944 22017.31       793.6876 419.4738 7.588166 426.1580 7.697978 -6.684235      10.80921 
1 1 1 -10 10 9  o 40.38474 3.225952 196.1860       31.40692 181.9749       42.30064 213.6437       46.88438 38.76624 4.510150 42.00325 4.613632 -3.237011      6.451903 
1 1 1 -10 10 10 o 327.2128 4.318663 12972.87       341.7408 13245.03       492.1209 12719.40       474.9266 330.5196 6.154209 323.9060 6.060455 6.613647       8.637326 
1 1 1 -10 10 11 o 302.3239 4.050776 11082.38       296.2856 11118.37       419.8744 11046.68       418.1532 302.8124 5.731171 301.8353 5.726155 0.9771423      8.101553 
1 1 1 -10 10 12 o 124.0481 2.466974 1860.795       73.98375 1958.476       106.7592 1770.540       102.6211 127.1767 3.469730 120.9195 3.507824 6.257141       4.933949 
1 1 1 -10 10 13 f 159.6291 2.678850 3081.628       103.3712 3223.199       149.8762 2953.181       142.7611 163.1196 3.797733 156.1387 3.779176 6.980881       5.357700 
1 1 1 -10 10 14 o 143.8707 2.579696 2490.498       89.46356 2722.938       133.6292 2301.684       120.4377 149.9099 3.684415 137.8314 3.611704 12.07855       5.159391 
1 1 1 -10 10 15 o 119.6827 2.426362 1732.207       70.16512 1817.371       102.4770 1657.047       96.27052 122.4435 3.459300 116.9219 3.403260 5.521599       4.852725 
1 1 1 -10 10 16 o 142.0426 2.511192 2439.734       86.11728 2583.043       126.9153 2317.450       117.2362 145.8889 3.595748 138.1963 3.506413 7.692657       5.022384 
1 1 1 -10 10 17 o 28.70901 4.260294 101.5942       28.27290 125.2526       44.94356 86.10017       36.37115 31.42440 6.131643 25.99362 5.916367 5.430779       8.520589 
1 1 1 -10 10 18 o 20.59103 5.175432 43.73834       27.74775 42.32503       31.06499 49.31588       61.71270 18.73457 6.031772 22.44748 8.411783 -3.712910      10.35086 
1 1 1 -10 10 19 o 79.93135 2.837457 774.0958       43.93985 768.4649       49.08985 796.7877       98.54526 79.50225 2.552172 80.36044 5.068636 -0.8581924     5.674914 
1 1 1 -10 10 20 o 53.94790 4.007280 342.9632       50.57916 251.1600       63.81794 498.0369       82.94361 44.73116 5.896989 63.16463 5.427586 -18.43347      8.014560 
1 1 1 -10 12 1  o 245.6207 3.494109 7284.742       207.3491 7606.759       303.1548 7001.673       284.2311 250.7085 4.997962 240.5329 4.884215 10.17564       6.988217 
1 1 1 -10 12 2  o 109.3862 3.651197 1447.774       96.62733 0.000000       0.000000 1447.774       96.62733 ?        ?        109.3862 3.651197 ?              ?        
1 1 1 -10 12 3  o 118.5798 2.545122 1701.470       72.99525 1705.699       102.0710 1697.044       104.4312 118.7310 3.553333 118.4286 3.644779 0.3023605      5.090245 
1 1 1 -10 12 4  o 551.9109 6.924025 36884.48       923.7872 36025.02       1275.599 37832.37       1339.616 545.1709 9.671172 558.6510 9.911453 -13.48010      13.84805 
1 1 1 -10 12 5  o 226.6029 4.018880 6211.162       207.6635 6199.601       254.1492 6234.384       360.2101 226.3186 4.641584 226.8872 6.562110 -0.5685883     8.037761 
1 1 1 -10 12 6  o 265.7559 3.684776 8535.466       236.5589 8274.855       323.9984 8833.004       346.1932 261.4238 5.122658 270.0880 5.297987 -8.664215      7.369552 
1 1 1 -10 12 7  o 106.4978 2.919319 1353.090       71.59078 1437.240       123.3248 1310.320       87.92173 108.9474 4.678766 104.0482 3.492686 4.899193       5.838639 
1 1 1 -10 12 8  o 302.6604 4.988181 11026.54       341.3991 11346.82       605.4363 10877.22       413.3910 305.7189 8.185473 299.6019 5.703142 6.117035       9.976362 
1 1 1 -10 12 9  o 121.2151 2.452124 1774.985       71.83425 1882.818       104.2929 1677.653       99.08496 124.7107 3.456599 117.7195 3.479020 6.991165       4.904249 
1 1 1 -10 12 10 o 63.68066 2.696970 494.6252       41.21214 557.7595       57.64747 428.6291       58.93954 67.87212 3.510642 59.48919 4.095117 8.382923       5.393940 
1 1 1 -10 12 11 o 190.8458 4.163972 4412.279       192.2617 0.000000       0.000000 4412.279       192.2617 ?        ?        190.8458 4.163972 ?              ?        
1 1 1 -10 12 12 o 140.8032 2.590938 2401.401       88.25829 2395.616       125.2735 2407.103       124.3636 140.6339 3.681857 140.9724 3.646338 -0.3385162     5.181877 
1 1 1 -10 12 13 o 279.5453 3.826609 9475.255       258.6164 9740.832       374.4971 9233.146       357.5677 283.2766 5.464311 275.8140 5.358456 7.462616       7.653218 
1 1 1 -10 12 14 o 122.0425 2.523702 1802.528       74.44402 1870.751       108.2379 1741.284       102.5516 124.2281 3.601282 119.8568 3.536531 4.371292       5.047403 
1 1 1 -10 12 15 o 45.81213 3.575266 255.0579       39.28447 257.8061       59.74681 252.9649       52.14009 46.01223 5.367093 45.61203 4.724873 0.4002037      7.150532 
1 1 1 -10 12 16 o 100.3727 2.502986 1219.643       60.62754 1284.448       89.71653 1165.175       82.24982 102.8093 3.606930 97.93606 3.471283 4.873260       5.005971 
1 1 1 -10 12 17 o 107.8337 2.462229 1376.135       63.30264 1669.728       100.3493 1182.082       81.58324 117.1102 3.541746 98.55721 3.421451 18.55299       4.924458 
1 1 1 -10 12 18 o 72.10881 2.587700 617.5960       44.50879 749.9961       70.37099 529.3143       57.46254 78.36573 3.711634 65.85188 3.606736 12.51385       5.175401 
1 1 1 -10 12 19 o 45.16343 3.383756 247.3257       36.31185 277.1442       58.21773 228.3388       46.45575 47.28598 5.088861 43.04087 4.461245 4.245106       6.767511 
1 1 1 -10 12 20 o 34.17867 6.160890 141.9037       43.01366 128.6326       47.91266 197.0256       97.64687 31.22680 6.550950 37.13055 10.43606 -5.903744      12.32178 
1 1 1 -10 14 1  o 532.4483 6.706197 34360.20       863.0657 35298.28       1253.873 33515.58       1189.767 539.3243 9.609511 525.5723 9.356795 13.75208       13.41239 
1 1 1 -10 14 2  o 261.4557 3.656568 8275.305       231.2540 8186.168       323.2420 8368.761       330.9804 260.0154 5.138383 262.8960 5.203745 -2.880646      7.313136 
1 1 1 -10 14 3  o 231.5874 3.364338 6492.573       188.4769 6437.557       263.9724 6549.789       269.1974 230.5879 4.731729 232.5870 4.783912 -1.999130      6.728675 
1 1 1 -10 14 4  o 419.9070 5.390387 21382.76       547.6110 21340.13       772.6944 21425.78       776.1954 419.4878 7.613531 420.3262 7.632773 -0.8384094     10.78077 
1 1 1 -10 14 5  o 337.4756 6.302125 13803.67       514.5549 0.000000       0.000000 13803.67       514.5549 ?        ?        337.4756 6.302125 ?              ?        
1 1 1 -10 14 6  o 275.3048 3.787000 9174.600       252.0812 9410.634       364.4224 8958.038       349.0665 278.6930 5.404763 271.9166 5.306036 6.776428       7.574000 
1 1 1 -10 14 7  o 248.6291 3.506559 7489.166       210.9271 7505.792       298.9622 7472.688       297.6342 248.9034 4.964588 248.3547 4.953454 0.5486603      7.013119 
1 1 1 -10 14 8  o 261.2268 3.635446 8268.529       229.7337 8172.459       321.8315 8368.344       328.0426 259.6817 5.122533 262.7719 5.159992 -3.090179      7.270891 
1 1 1 -10 14 9  o 199.4722 3.036648 4818.672       146.5214 4743.229       204.8512 4897.697       209.6576 197.8752 4.279026 201.0693 4.309855 -3.194107      6.073295 
1 1 1 -10 14 10 o 234.8590 3.377574 6683.130       191.8766 6564.021       267.9971 6808.401       274.8412 232.7144 4.759974 237.0036 4.793190 -4.289185      6.755147 
1 1 1 -10 14 11 o 248.9631 3.529610 7516.380       212.6000 7499.231       300.4318 7533.581       300.8924 248.6784 4.993505 249.2477 4.989738 -0.5693359     7.059219 
1 1 1 -10 14 12 o 120.4369 2.614126 1757.424       76.16837 1742.622       107.2079 1772.512       108.2362 119.9250 3.695002 120.9489 3.698862 -1.023911      5.228252 
1 1 1 -10 14 13 o 209.8628 3.168068 5344.602       160.8428 5401.810       229.1290 5289.026       225.8390 210.9684 4.489111 208.7571 4.471522 2.211319       6.336136 
1 1 1 -10 14 14 o 108.7428 2.575122 1425.384       67.51550 1555.775       100.6493 1318.712       91.03560 113.2316 3.674011 104.2540 3.609244 8.977646       5.150243 
1 1 1 -10 14 15 o 122.2726 2.587065 1805.587       76.23990 1943.578       114.0709 1694.182       102.4948 126.4584 3.728421 118.0869 3.587546 8.371445       5.174129 
1 1 1 -10 14 16 o 159.5119 2.753381 3055.857       105.3494 3450.519       162.4985 2769.709       138.3670 168.2376 3.992306 150.7861 3.792878 17.45151       5.506762 
1 1 1 -10 14 17 o 54.01080 3.430412 331.1696       42.74204 522.1596       71.51044 225.0148       53.31311 65.26299 4.528977 42.75861 5.153569 22.50438       6.860825 
1 1 1 -10 14 18 o 110.1950 3.074647 1416.995       75.16544 1687.091       142.2303 1312.328       88.53957 116.8010 5.033190 103.5890 3.532820 13.21198       6.149294 
1 1 1 -10 14 19 o 44.83144 3.931830 251.7901       40.93541 253.2486       68.12188 250.9658       51.21321 44.70678 6.298120 44.95611 4.708591 -0.2493286     7.863660 
1 1 1 -10 14 20 o 28.10465 6.469313 98.84609       50.73331 62.30952       64.47653 158.2392       82.20641 23.07116 8.607385 33.13815 9.660278 -10.06699      12.93863 
1 1 1 -10 16 1  o 102.6375 2.678441 1275.327       66.50895 1283.097       94.45282 1267.686       93.66781 102.9474 3.792251 102.3275 3.783517 0.6199493      5.356881 
1 1 1 -10 16 3  o 475.4075 6.060683 27443.60       696.7200 26960.90       966.5941 27965.57       1005.159 471.0811 8.480983 479.7339 8.660279 -8.652832      12.12137 
1 1 1 -10 16 4  o 331.2257 4.404244 13304.11       352.9358 13341.44       500.0444 13267.05       498.2139 331.6883 6.231262 330.7630 6.225821 0.9252930      8.808489 
1 1 1 -10 16 5  o 201.9197 3.111381 4915.868       151.6014 5258.578       224.5078 4628.621       205.5394 208.3556 4.453731 195.4838 4.345922 12.87177       6.222762 
1 1 1 -10 16 6  o 344.7466 4.551334 14416.65       379.5339 14609.39       543.4989 14233.21       530.2311 346.9887 6.474123 342.5044 6.398774 4.484344       9.102669 
1 1 1 -10 16 7  o 99.72484 2.636741 1204.371       63.61598 1211.945       89.95363 1196.792       89.97953 100.0389 3.716614 99.41079 3.741174 0.6280975      5.273481 
1 1 1 -10 16 8  o 69.58987 3.198256 582.3453       53.46718 492.5230       72.50524 689.4135       79.16032 63.74801 4.701111 75.43175 4.337615 -11.68374      6.396511 
1 1 1 -10 16 9  o 365.6348 4.788256 16243.04       423.5718 16260.05       599.3154 16226.07       598.7271 365.8261 6.771401 365.4436 6.771833 0.3825073      9.576512 
1 1 1 -10 16 10 o 156.0561 2.812120 2948.640       106.1283 2865.651       147.5055 3037.707       152.8112 153.7823 3.964601 158.3300 3.989238 -4.547653      5.624240 
1 1 1 -10 16 11 o 141.5147 2.783550 2425.334       95.25515 2501.864       137.3554 2354.427       132.2139 143.6623 3.951852 139.3672 3.921157 4.295090       5.567101 
1 1 1 -10 16 12 o 59.98364 3.559316 437.3693       51.63705 424.7996       73.05219 449.9207       72.99946 59.11803 5.107531 60.84925 4.958634 -1.731224      7.118632 
1 1 1 -10 16 13 o 62.25908 3.386107 470.0197       50.83700 489.1912       75.56985 454.1718       68.70781 63.40498 4.926323 61.11317 4.646960 2.291813       6.772215 
1 1 1 -10 16 14 o 58.74840 3.457586 415.5379       48.56549 455.9846       75.91901 387.5217       63.18500 61.11118 5.134848 56.38562 4.631732 4.725567       6.915172 
1 1 1 -10 16 15 o 63.59454 3.427161 490.2900       51.94659 620.7135       77.35732 383.1772       70.10422 71.27827 4.485820 55.91080 5.182582 15.36748       6.854322 
1 1 1 -10 16 16 o 57.49271 3.488756 400.6955       47.81222 437.5062       75.54408 376.0968       61.75459 59.60852 5.238292 55.37690 4.609335 4.231628       6.977512 
1 1 1 -10 16 17 o 90.00568 2.858781 959.2724       61.08019 1186.804       98.66714 817.8979       77.77456 98.32603 4.147647 81.68533 3.935421 16.64070       5.717562 
1 1 1 -10 16 18 o 56.11497 3.707642 383.8144       49.61190 448.4971       78.74036 341.2312       63.88852 59.87983 5.435188 52.35013 5.044322 7.529697       7.415285 
1 1 1 -10 16 19 o 61.64301 3.738920 469.4680       54.58327 529.0889       88.47961 432.8379       69.35262 64.54511 5.666012 58.74092 4.880001 5.804195       7.477841 
1 1 1 -10 16 20 o 51.73771 6.717344 393.2851       81.58762 455.0863       115.4312 331.5883       115.3336 57.08392 8.358088 46.39149 10.51823 10.69243       13.43469 
1 1 1 -10 18 1  o 298.2515 4.071478 10787.57       293.7812 10717.82       413.5195 10858.66       417.4471 297.2792 5.749488 299.2238 5.766377 -1.944580      8.142956 
1 1 1 -10 18 2  o 142.0715 2.784274 2444.638       95.70041 2427.713       135.3286 2461.569       135.3530 141.5791 3.950829 142.5640 3.924241 -0.9849548     5.568547 
1 1 1 -10 18 3  o 73.08410 3.249393 649.2459       57.27109 685.6189       79.45207 609.9066       82.62838 75.22746 4.365425 70.94073 4.814279 4.286728       6.498785 
1 1 1 -10 18 4  o 196.6059 3.094769 4682.493       147.1908 4632.657       206.3184 4734.147       210.0501 195.5419 4.361097 197.6700 4.392177 -2.128113      6.189538 
1 1 1 -10 18 5  o 247.2048 5.014265 7408.374       299.8930 7408.374       299.8930 0.000000       0.000000 247.2048 5.014265 ?        ?        ?              ?        
1 1 1 -10 18 6  o 61.36721 3.685612 455.7144       54.62675 440.8579       74.67071 472.8206       80.12518 60.29622 5.118680 62.43821 5.304155 -2.141991      7.371224 
1 1 1 -10 18 7  o 166.6814 4.078654 3366.351       164.4774 0.000000       0.000000 3366.351       164.4774 ?        ?        166.6814 4.078654 ?              ?        
1 1 1 -10 18 8  f 270.1007 3.774739 8852.186       246.6531 8915.525       351.2539 8790.571       346.4362 271.0509 5.356339 269.1505 5.320174 1.900452       7.549478 
1 1 1 -10 18 9  o 172.7963 2.966983 3613.307       123.9003 3475.144       170.3936 3768.318       180.4844 169.3014 4.159972 176.2913 4.231618 -6.989929      5.933967 
1 1 1 -10 18 10 o 111.2971 2.813810 1502.394       75.76580 1514.971       107.3450 1489.909       106.9541 111.7619 3.969957 110.8322 3.988678 0.9296646      5.627620 
1 1 1 -10 18 11 o 64.48711 3.270380 504.0809       50.95771 533.0197       74.35590 478.4526       69.97375 66.22686 4.640652 62.74735 4.609326 3.479507       6.540760 
1 1 1 -10 18 12 o 26.07257 5.904653 81.27143       45.89617 18.58836       73.82687 120.7575       58.59507 21.40462 8.821883 30.74052 7.850737 -9.335905      11.80931 
1 1 1 -10 18 13 o 201.8307 3.176635 4893.822       153.6944 5518.768       237.8561 4445.846       201.3822 212.6807 4.622574 190.9808 4.358421 21.69995       6.353269 
1 1 1 -10 18 14 o 131.1290 2.793882 2066.910       87.98704 2390.621       134.2843 1823.378       116.4728 139.9912 3.964807 122.2669 3.937437 17.72437       5.587763 
1 1 1 -10 18 15 o 63.45097 3.653634 494.5345       55.65276 506.7600       84.53543 485.1828       73.93517 64.07652 5.453026 62.82541 4.864223 1.251114       7.307267 
1 1 1 -10 18 16 o 91.52145 3.029401 1026.804       66.32192 1049.206       102.1778 1010.495       87.18344 92.27810 4.576731 90.76481 3.970217 1.513290       6.058803 
1 1 1 -10 18 17 o 47.14487 4.680672 276.6246       52.27092 311.9639       84.67194 254.8635       66.44320 49.35705 7.090683 44.93268 6.112035 4.424366       9.361343 
1 1 1 -10 18 18 o 20.94016 6.163500 28.16280       51.03626 13.36113       82.91413 37.19170       64.75761 20.98344 9.030870 20.89688 8.390370 0.8656120E-01  12.32700 
1 1 1 -10 18 19 o 65.43317 4.021674 549.9606       61.34138 569.7097       101.7208 538.6746       76.89652 65.78896 6.390786 65.07738 4.883985 0.7115784      8.043348 
1 1 1 -10 18 20 o 23.26350 7.343940 33.57365       86.06460 83.93813       119.6275 -20.46401      123.9131 25.38444 10.88432 21.14257 9.862325 4.241869       14.68788 
1 1 1 -10 20 1  o 206.9810 3.221086 5192.988       161.2978 5207.298       228.8630 5178.865       227.3634 207.2635 4.564050 206.6985 4.546539 0.5649872      6.442171 
1 1 1 -10 20 2  o 196.7236 3.142928 4688.088       149.5349 4592.593       208.1453 4789.947       214.9682 194.6566 4.419724 198.7906 4.469677 -4.134003      6.285855 
1 1 1 -10 20 3  o 236.6021 3.476503 6782.521       198.9008 6979.562       287.0208 6600.472       275.8861 239.9017 4.945129 233.3025 4.887740 6.599258       6.953007 
1 1 1 -10 20 4  o 227.6326 3.396536 6283.001       187.0396 6232.967       262.3883 6334.690       266.6920 226.7137 4.783705 228.5515 4.823069 -1.837875      6.793072 
1 1 1 -10 20 5  o 115.0277 2.891934 1603.811       80.46412 1644.894       113.9775 1562.992       113.6103 116.4988 4.043850 113.5566 4.135263 2.942268       5.783868 
1 1 1 -10 20 6  o 134.7589 2.823686 2201.210       92.05517 2236.061       130.5730 2166.770       129.8018 135.8207 3.973610 133.6970 4.012883 2.123627       5.647372 
1 1 1 -10 20 7  o 90.85048 3.758291 967.1148       77.99238 901.2932       94.30392 1109.578       138.7383 86.18530 4.522664 95.51565 6.003708 -9.330345      7.516582 
1 1 1 -10 20 8  o 87.62772 3.033559 932.5048       64.25005 883.5212       90.72632 981.7852       91.00087 85.31066 4.395696 89.94479 4.181839 -4.634125      6.067118 
1 1 1 -10 20 9  o 254.8371 3.645942 7889.243       224.5571 8183.622       326.7772 7625.848       309.1027 259.3187 5.208534 250.3555 5.103209 8.963196       7.291884 
1 1 1 -10 20 10 o 45.91781 5.028426 258.1276       51.14585 422.1490       78.96529 139.5893       67.12978 58.81952 5.548971 33.01610 8.387442 25.80342       10.05685 
1 1 1 -10 20 11 o 182.0102 3.061604 4013.239       134.3516 4298.548       200.4538 3780.541       181.0311 187.8273 4.411164 176.1931 4.246800 11.63417       6.123209 
1 1 1 -10 20 12 o 46.91782 5.199026 276.1063       56.73366 344.9635       83.19592 216.2520       77.56658 52.86370 6.504923 40.97194 8.112057 11.89176       10.39805 
1 1 1 -10 20 13 o 37.48137 6.216194 186.8423       55.13391 165.6311       84.52769 202.5484       72.73637 35.41696 9.616898 39.54578 7.879058 -4.128819      12.43239 
1 1 1 -10 20 14 o 70.84373 3.677315 616.5405       62.83905 657.9329       93.39851 582.3073       84.93839 72.98114 5.289650 68.70633 5.109813 4.274811       7.354630 
1 1 1 -10 20 15 o 87.23712 3.274330 927.5443       68.64410 1082.261       103.7508 807.0880       91.54558 93.64331 4.579441 80.83093 4.681203 12.81238       6.548659 
1 1 1 -10 20 16 o 30.49623 6.249637 110.7008       54.91628 215.2918       83.09432 29.59101       73.17468 39.63195 8.885580 21.36051 8.790808 18.27144       12.49927 
1 1 1 -10 20 17 o 40.71815 5.917074 230.0867       56.89298 199.2476       84.89824 255.2248       76.65012 37.31564 9.406606 44.12067 7.180727 -6.805035      11.83415 
1 1 1 -10 20 18 o 26.89755 6.992666 101.8969       59.88963 91.45237       89.65490 110.3131       80.47952 26.19219 10.06344 27.60291 9.711677 -1.410717      13.98533 
1 1 1 -10 20 19 o 66.75243 6.830540 697.5118       110.1471 658.4176       150.9299 742.0583       161.1111 64.81180 9.625402 68.69307 9.694160 -3.881271      13.66108 
1 1 1 -10 22 1  o 74.00978 3.549940 663.6906       63.23899 575.1982       87.20138 761.8610       91.84618 68.80508 5.238422 79.21448 4.792413 -10.40939      7.099880 
1 1 1 -10 22 2  o 332.5349 4.477410 13464.03       360.2119 13543.55       511.3491 13385.70       507.5057 333.5076 6.337375 331.5621 6.326649 1.945496       8.954820 
1 1 1 -10 22 3  o 133.2511 2.919163 2154.045       94.08735 2146.132       131.5442 2162.335       134.6286 133.0043 4.087933 133.4978 4.168317 -0.4934998     5.838327 
1 1 1 -10 22 4  o 318.8644 4.319905 12357.15       332.7147 11925.83       455.0257 12852.70       487.7347 312.9341 6.010088 324.7949 6.206863 -11.86081      8.639810 
1 1 1 -10 22 5  o 239.4602 3.515873 6944.140       203.2139 7372.147       300.2092 6582.168       276.0803 246.2274 5.039476 232.6930 4.903993 13.53435       7.031747 
1 1 1 -10 22 6  o 234.8334 3.477522 6670.085       196.9004 7167.047       293.6876 6264.313       265.3780 242.7118 5.001408 226.9549 4.833069 15.75691       6.955044 
1 1 1 -10 22 7  o 123.0784 2.900004 1840.953       86.10403 1837.848       126.6156 1843.625       117.4404 122.9606 4.256169 123.1963 3.940193 -0.2356796     5.800009 
1 1 1 -10 22 8  f 77.97241 3.425148 740.6724       64.46242 747.1829       94.63101 735.0358       88.05142 78.27283 4.997124 77.67198 4.685648 0.6008530      6.850296 
1 1 1 -10 22 9  o 34.88056 6.553415 151.1677       57.67973 218.8511       87.34032 98.81728       76.81287 41.10933 9.028592 28.65179 9.501239 12.45753       13.10683 
1 1 1 -10 22 10 o 31.65067 6.689031 130.1763       55.28690 106.7432       87.60925 145.6841       71.27061 29.83569 10.14901 33.46566 8.716090 -3.629971      13.37806 
1 1 1 -10 22 11 f 26.41983 6.616013 78.02287       52.66363 94.08771       79.78063 65.61713       70.10852 28.10181 9.681720 24.73786 9.019469 3.363955       13.23203 
1 1 1 -10 22 12 o 38.31606 6.201516 196.9845       59.01158 117.9745       86.00962 267.2583       81.11523 30.49585 10.05113 46.13626 7.267043 -15.64041      12.40303 
1 1 1 -10 22 13 o 59.12899 4.212796 434.8895       59.81472 511.3435       87.16187 366.8350       82.23459 64.12643 5.618070 54.13155 6.279163 9.994884       8.425591 
1 1 1 -10 22 14 o 25.03043 6.853849 63.06898       59.56440 40.07257       91.79880 79.79119       78.28054 23.98598 9.855784 26.07488 9.527041 -2.088900      13.70770 
1 1 1 -10 22 15 o 61.72733 4.238146 474.0623       62.52010 590.6132       95.81454 387.6437       82.50442 68.29428 5.798890 55.16037 6.182267 13.13391       8.476293 
1 1 1 -10 22 16 o 62.18975 5.089383 521.9686       68.19028 782.2137       100.0318 296.0503       93.20136 78.46405 5.269445 45.91545 8.708630 32.54860       10.17877 
1 1 1 -10 22 17 o 27.82648 6.778223 79.66342       66.75098 222.6102       99.41142 -37.70063      90.07756 37.27952 10.54822 18.37344 8.515414 18.90608       13.55645 
1 1 1 -10 24 1  o 47.97218 5.179345 288.7243       57.95478 237.9966       81.72768 340.0342       82.19521 43.25885 8.106812 52.68550 6.448416 -9.426655      10.35869 
1 1 1 -10 24 2  f 36.50404 5.609617 173.7995       54.63583 35.83113       78.51466 303.3319       76.07647 23.24100 9.270882 49.76709 6.318382 -26.52609      11.21923 
1 1 1 -10 24 3  o 53.50272 4.451176 352.6542       57.21641 331.0586       84.41796 371.0045       77.81696 51.93176 6.718921 55.07367 5.840203 -3.141911      8.902352 
1 1 1 -10 24 4  o 125.4630 2.862889 1904.566       86.65537 2096.373       127.9821 1742.191       117.7542 131.2669 4.029877 119.6590 4.067509 11.60786       5.725778 
1 1 1 -10 24 5  o 131.2947 2.895513 2099.443       91.95376 2065.586       130.7506 2132.576       129.3453 130.2356 4.149652 132.3538 4.039353 -2.118225      5.791027 
1 1 1 -10 24 6  o 75.93176 5.056382 705.3010       92.88931 705.3010       92.88931 0.000000       0.000000 75.93176 5.056382 ?        ?        ?              ?        
1 1 1 -10 24 7  o 44.04453 5.645932 234.8066       57.79862 320.4121       93.05991 181.0454       73.74730 50.74371 7.580154 37.34535 8.369434 13.39836       11.29186 
1 1 1 -10 24 8  o 85.24678 3.509723 895.5410       71.99105 840.5270       105.3402 943.7535       98.61381 82.70502 5.264533 87.78855 4.642987 -5.083534      7.019447 
1 1 1 -10 24 9  f 96.60965 3.262724 1141.075       76.04392 1191.386       112.7199 1099.051       103.0184 98.52448 4.728836 94.69483 4.496620 3.829643       6.525449 
1 1 1 -10 24 10 o 61.97560 4.453075 488.7709       65.11999 416.8397       98.74697 544.1271       86.62604 57.61341 7.084315 66.33779 5.397407 -8.724377      8.906151 
1 1 1 -10 24 11 o 31.71111 6.037300 116.9223       56.48386 242.7439       82.90160 7.906256       77.16685 42.86673 8.293424 20.55549 8.775824 22.31124       12.07460 
1 1 1 -10 24 12 o 76.50003 3.876858 723.3926       71.10828 873.7503       106.1289 600.9066       95.78874 83.74375 5.238164 69.25632 5.716797 14.48743       7.753717 
1 1 1 -10 24 13 o 53.71537 5.152463 372.1931       66.62156 426.0204       97.16144 324.4297       91.52519 57.51170 6.982893 49.91903 7.578307 7.592670       10.30493 
1 1 1 -10 24 14 o 45.65388 6.065347 285.7173       65.44244 326.3882       94.64025 248.4517       90.59163 49.44369 7.911570 41.86407 9.195695 7.579617       12.13069 
1 1 1 -10 24 15 o 35.99637 6.623235 195.5379       66.89646 314.2333       93.21227 69.46880       96.06393 47.01037 8.508781 24.98237 10.15232 22.02800       13.24647 
1 1 1 -10 24 16 o 32.72657 7.697917 184.0712       73.31883 220.3038       100.0248 141.9973       107.7867 36.19471 10.68591 29.25844 11.08345 6.936264       15.39583 
1 1 1 -10 26 1  o 23.99166 6.589334 46.75844       56.28680 10.57731       84.64748 75.43730       75.36226 21.89119 9.262751 26.09213 9.374365 -4.200937      13.17867 
1 1 1 -10 26 2  o 35.36578 6.316432 169.9763       55.87663 106.0770       85.02049 218.5618       74.13599 29.53442 9.998173 41.19714 7.721774 -11.66272      12.63286 
1 1 1 -10 26 3  f 73.36302 3.677538 664.7009       64.92724 617.8200       94.52258 706.5804       89.33853 70.82975 5.515914 75.89630 4.865370 -5.066551      7.355075 
1 1 1 -10 26 4  o 43.11333 5.859725 234.9424       59.38672 320.9250       89.28722 166.7281       79.52836 50.67944 7.282077 35.54723 9.182423 15.13221       11.71945 
1 1 1 -10 26 5  o 148.0419 3.006351 2664.877       107.2465 2885.297       160.7140 2487.925       143.9981 153.4920 4.327785 142.5918 4.174070 10.90021       6.012702 
1 1 1 -10 26 6  o 125.2705 3.015071 1909.314       91.01934 2084.217       136.2938 1768.520       122.2843 130.3901 4.320453 120.1510 4.206697 10.23909       6.030142 
1 1 1 -10 26 7  o 65.92723 4.264408 547.5623       67.12038 474.4488       98.31049 611.3994       91.86234 61.57110 6.599646 70.28336 5.402349 -8.712261      8.528815 
1 1 1 -10 26 8  o 111.6991 3.925830 1495.216       98.44276 1702.558       180.5546 1407.506       117.4328 116.5138 6.405141 106.8843 4.541226 9.629524       7.851660 
1 1 1 -10 26 9  o 95.22127 3.305270 1111.338       75.65199 1305.440       112.5156 951.1866       102.2026 102.8079 4.523599 87.63466 4.820405 15.17321       6.610541 
1 1 1 -10 26 10 o 36.10677 6.744858 186.0478       62.40905 117.8310       93.71214 240.4150       83.66021 30.01372 10.48433 42.19983 8.488295 -12.18610      13.48972 
1 1 1 -10 26 11 o 69.48198 4.196513 607.2084       69.76349 744.0185       103.6010 493.7029       94.36545 76.76984 5.577902 62.19412 6.271355 14.57573       8.393026 
1 1 1 -10 26 12 o 25.91199 7.066752 76.96584       63.62174 105.3658       90.27106 48.93573       89.68128 28.08440 10.23535 23.73958 9.746468 4.344826       14.13350 
1 1 1 -10 26 13 o 20.90652 6.552814 -6.134198      68.67693 45.00879       91.26604 -72.89844      104.2769 23.11999 9.691282 18.69306 8.822502 4.426935       13.10563 
1 1 1 -10 26 14 o 37.00641 7.490392 228.3005       71.11473 248.3002       94.28417 201.9072       108.3114 39.69933 9.860836 34.31349 11.27776 5.385838       14.98078 
1 1 1 -10 28 1  o 32.89685 6.688820 142.2069       61.47004 59.69654       88.20850 220.1072       85.70891 25.31214 9.910577 40.48156 8.985640 -15.16942      13.37764 
1 1 1 -10 28 2  o 60.83852 4.748393 469.4105       69.11611 444.3778       103.9943 489.2160       92.50182 59.16717 7.264847 62.50988 6.116448 -3.342712      9.496786 
1 1 1 -10 28 3  o 58.67428 4.922548 435.6004       69.63169 439.6703       103.0179 432.1768       94.48294 58.81992 7.239120 58.52864 6.672409 0.2912865      9.845096 
1 1 1 -10 28 4  o 56.45805 4.988835 400.2202       67.69764 468.0807       101.7800 346.3782       90.65984 60.74928 6.924989 52.16683 7.183203 8.582447       9.977670 
1 1 1 -10 28 5  f 36.09640 6.097421 157.8521       64.59630 325.7292       94.89465 12.89098       88.18035 50.26652 7.802982 21.92628 9.371639 28.34024       12.19484 
1 1 1 -10 28 6  o 29.45472 7.519179 110.9700       72.06474 8.291493       136.3521 150.7686       84.88979 25.86826 11.34988 33.04119 9.865718 -7.172934      15.03836 
1 1 1 -10 28 7  o 30.37906 7.126507 122.1670       63.09948 166.3157       89.69238 78.90538       88.78677 34.36046 10.11175 26.39767 10.04494 7.962793       14.25301 
1 1 1 -10 28 8  o 68.29525 4.393014 594.5954       72.51511 617.0051       105.4513 574.4914       99.87918 69.47884 6.273314 67.11166 6.151410 2.367172       8.786029 
1 1 1 -10 28 9  o 28.50865 7.305374 109.0850       64.90827 105.6207       91.45735 112.6009       92.13472 28.20537 10.29888 28.81193 10.36373 -0.6065617     14.61075 
1 1 1 -10 28 10 o 24.91486 7.159059 64.59985       67.70055 53.73323       96.20467 75.26035       95.28799 24.21646 10.03357 25.61326 10.21450 -1.396795      14.31812 
1 1 1 -10 28 11 o 28.66639 7.443737 119.8177       69.75670 162.3334       98.12856 76.38454       99.18160 31.99832 10.74174 25.33446 10.30786 6.663860       14.88747 
1 1 1 -10 28 12 o 54.44663 8.294909 516.4142       111.2286 327.6621       153.5500 724.8067       161.3411 40.36631 13.43575 68.52695 9.731533 -28.16064      16.58982 
1 1 1 -9  1  1  o 324.0394 4.914002 12663.47       331.5760 12607.30       381.3294 12837.60       671.3609 322.7035 4.884209 325.3752 8.528434 -2.671661      9.828005 
1 1 1 -9  1  3  o 448.4807 8.046396 24378.39       871.6202 23581.20       1191.990 25294.47       1277.792 440.6493 11.18091 456.3120 11.57433 -15.66275      16.09279 
1 1 1 -9  1  4  o 377.8582 4.860034 17288.99       444.1735 17040.25       619.4844 17552.16       637.2027 375.0656 6.826857 380.6506 6.919086 -5.584991      9.720068 
1 1 1 -9  1  5  o 289.2287 3.855383 10120.17       269.6559 9918.786       374.4806 10337.03       388.6140 286.2441 5.407425 292.2133 5.496878 -5.969208      7.710766 
1 1 1 -9  1  6  o 416.1600 5.313077 20967.00       534.8300 20700.97       747.0695 21246.69       766.0139 413.4555 7.468441 418.8644 7.558940 -5.408844      10.62615 
1 1 1 -9  1  7  f 539.1711 8.338387 35342.32       1035.958 34884.00       1750.921 35589.17       1285.015 536.3087 13.49427 542.0336 9.798955 -5.724915      16.67677 
1 1 1 -9  1  8  o 506.2213 9.137458 31033.59       1119.098 31033.59       1119.098 0.000000       0.000000 506.2213 9.137458 ?        ?        ?              ?        
1 1 1 -9  3  2  f 383.8669 4.935677 17816.27       457.6977 18485.83       669.8611 17229.95       626.8428 390.6089 7.088272 377.1250 6.870227 13.48389       9.871353 
1 1 1 -9  3  3  o 617.6171 9.413557 46571.63       1334.374 46981.43       1648.963 45794.17       2271.256 622.0911 10.95606 613.1432 15.31094 8.947876       18.82711 
1 1 1 -9  3  4  o 428.6857 5.450036 22251.05       564.9505 22713.96       815.1429 21823.15       783.7054 432.9666 7.781744 424.4047 7.632562 8.561920       10.90007 
1 1 1 -9  3  5  o 387.0992 4.966815 18144.64       465.1255 18280.15       662.6896 18013.07       652.9911 388.5220 7.050051 385.6765 6.998127 2.845520       9.933630 
1 1 1 -9  3  6  f 570.5247 7.122509 39442.27       983.1194 39541.85       1393.727 39343.64       1386.979 571.2404 10.08455 569.8091 10.06093 1.431274       14.24502 
1 1 1 -9  3  7  f 259.5550 3.538421 8151.663       222.1884 8209.292       316.0707 8095.363       312.4051 260.4616 5.015777 258.6484 4.992362 1.813263       7.076842 
1 1 1 -9  3  8  o 753.5679 9.328020 68802.59       1699.528 70305.53       2457.611 67425.10       2352.804 761.4282 13.34080 745.7075 13.04112 15.72064       18.65604 
1 1 1 -9  3  9  o 327.7639 4.313338 12995.56       341.8930 13267.21       492.3794 12742.64       475.1027 331.0678 6.147245 324.4600 6.052349 6.607819       8.626677 
1 1 1 -9  3  10 o 567.1094 7.197397 39006.32       987.5168 38958.32       1396.212 39054.36       1396.907 566.7598 10.18240 567.4590 10.17491 -0.6992188     14.39479 
1 1 1 -9  3  11 o 520.0343 9.306266 32945.80       1170.753 33230.22       1670.146 32671.03       1641.612 522.2243 13.21889 517.8444 13.10295 4.379944       18.61253 
1 1 1 -9  3  12 o 350.9496 6.502551 14951.85       551.6053 14562.76       760.5318 15383.70       801.2341 346.1590 9.081120 355.7402 9.309454 -9.581177      13.00510 
1 1 1 -9  3  13 o 287.3433 5.520228 10013.75       383.3008 9695.420       526.6128 10372.40       558.9717 282.5113 7.704658 292.1753 7.907588 -9.664001      11.04046 
1 1 1 -9  5  1  o 332.7620 6.157514 13409.21       495.7257 0.000000       0.000000 13409.21       495.7257 ?        ?        332.7620 6.157514 ?              ?        
1 1 1 -9  5  2  o 225.0163 4.504792 6128.325       245.2398 0.000000       0.000000 6128.325       245.2398 ?        ?        225.0163 4.504792 ?              ?        
1 1 1 -9  5  3  o 618.8953 7.703878 46471.73       1153.464 46766.25       1641.852 46184.70       1620.840 620.8252 10.93106 616.9655 10.85868 3.859741       15.40776 
1 1 1 -9  5  4  o 587.7408 7.330412 41881.93       1042.293 42167.94       1484.005 41603.49       1464.244 589.7164 10.40135 585.7653 10.33207 3.951050       14.66082 
1 1 1 -9  5  5  o 195.9574 2.893256 4643.992       137.1232 4551.355       190.9765 4742.572       197.0070 193.9416 4.070114 197.9731 4.113136 -4.031509      5.786511 
1 1 1 -9  5  6  o 415.0233 5.297614 20847.51       531.8340 21104.24       760.9615 20602.37       743.5928 417.5187 7.533287 412.5280 7.450398 4.990753       10.59523 
1 1 1 -9  5  7  o 635.9448 7.905143 48977.86       1215.760 49827.48       1750.177 48185.58       1690.085 641.2623 11.28090 630.6273 11.07729 10.63507       15.81029 
1 1 1 -9  5  8  o 126.6567 2.303573 1938.751       70.54853 2008.982       101.8391 1873.949       97.82336 128.8596 3.266597 124.4538 3.248868 4.405830       4.607147 
1 1 1 -9  5  9  o 449.3728 5.697868 24432.71       618.9720 25054.37       897.3535 23868.48       854.9056 454.8133 8.155077 443.9323 7.959744 10.88104       11.39574 
1 1 1 -9  5  10 o 166.0916 2.632552 3338.563       105.7857 3337.709       149.5925 3339.417       149.6146 166.0703 3.723192 166.1128 3.722790 -0.4249573E-01 5.265104 
1 1 1 -9  5  11 o 87.78865 2.088917 931.9372       44.34667 894.7488       61.81052 971.3867       63.66177 85.98505 2.971236 89.59226 2.937013 -3.607216      4.177833 
1 1 1 -9  5  12 o 324.1091 4.269537 12733.46       334.7458 12877.22       478.2268 12595.35       468.7202 325.8992 6.065246 322.3190 6.010705 3.580139       8.539074 
1 1 1 -9  5  13 o 151.3581 2.894763 2825.781       92.22149 2880.449       107.2810 2671.029       180.4993 154.2621 2.874492 148.4540 5.025525 5.808121       5.789525 
1 1 1 -9  5  14 o 320.3121 6.005301 12473.37       464.9575 12861.39       675.3544 12123.74       641.0818 325.0187 8.588574 315.6055 8.395887 9.413239       12.01060 
1 1 1 -9  5  15 o 279.0394 5.355842 9454.011       360.9368 9110.054       493.0201 9851.279       529.8512 273.6116 7.447796 284.4672 7.698735 -10.85565      10.71168 
1 1 1 -9  5  16 o 242.5776 4.799387 7122.446       280.4510 6701.964       375.9221 7650.208       421.1564 234.5956 6.623320 250.5596 6.947524 -15.96400      9.598773 
1 1 1 -9  5  17 o 162.0792 3.651548 3131.621       141.5556 2768.590       184.0513 3657.347       221.4862 150.8396 5.043375 173.3188 5.282005 -22.47920      7.303096 
1 1 1 -9  7  1  o 248.0354 4.865992 7445.865       292.0031 7445.865       292.0031 0.000000       0.000000 248.0354 4.865992 ?        ?        ?              ?        
1 1 1 -9  7  2  o 182.8852 3.952211 4047.305       174.8723 0.000000       0.000000 4047.305       174.8723 ?        ?        182.8852 3.952211 ?              ?        
1 1 1 -9  7  3  f 751.5084 9.304838 68281.91       1686.659 65524.88       2281.318 71605.89       2504.925 734.8950 12.83093 768.1219 13.47914 -33.22693      18.60968 
1 1 1 -9  7  4  o 808.9194 12.23535 79660.56       2263.576 79119.57       3891.095 79937.29       2782.924 806.2164 19.94885 811.6224 14.17245 -5.406006      24.47070 
1 1 1 -9  7  5  o 788.8700 9.734578 75461.23       1857.680 76168.28       2652.413 74780.48       2602.608 792.4866 13.83397 785.2534 13.69924 7.233276       19.46916 
1 1 1 -9  7  6  o 858.4802 10.57589 89401.49       2196.319 90223.42       3135.889 88610.10       3077.073 862.3401 15.03072 854.6204 14.88203 7.719727       21.15177 
1 1 1 -9  7  7  o 963.0028 11.85317 112649.5       2761.601 112451.3       3896.504 112849.4       3914.546 962.1577 16.73889 963.8479 16.78690 -1.690247      23.70634 
1 1 1 -9  7  8  o 500.3136 6.295797 30320.08       761.9969 30571.07       1086.761 30077.36       1068.718 502.3469 8.941865 498.2803 8.865172 4.066589       12.59159 
1 1 1 -9  7  9  f 240.2912 3.367071 6980.326       195.5818 6785.650       269.9373 7195.465       283.7697 236.7703 4.712305 243.8121 4.810701 -7.041840      6.734141 
1 1 1 -9  7  10 o 117.1393 3.271976 1660.636       92.72891 0.000000       0.000000 1660.636       92.72891 ?        ?        117.1393 3.271976 ?              ?        
1 1 1 -9  7  11 o 234.1374 3.303104 6639.456       187.1058 6615.265       263.6320 6664.008       265.5939 233.7082 4.662532 234.5666 4.680042 -0.8583374     6.606209 
1 1 1 -9  7  12 o 248.5841 3.453497 7484.131       207.6391 7621.903       298.0559 7354.222       289.4264 250.8035 4.912040 246.3647 4.855762 4.438797       6.906993 
1 1 1 -9  7  13 o 110.4468 2.283601 1476.680       61.01589 1493.765       86.94241 1460.099       85.65108 111.0761 3.235257 109.8175 3.223731 1.258537       4.567202 
1 1 1 -9  7  14 o 128.9778 3.361534 2014.531       104.8950 2014.531       104.8950 0.000000       0.000000 128.9778 3.361534 ?        ?        ?              ?        
1 1 1 -9  7  15 o 276.4741 3.757463 9278.285       251.3325 9309.513       356.1918 9247.320       354.6888 276.9370 5.316193 276.0112 5.311516 0.9257813      7.514925 
1 1 1 -9  7  16 o 388.1538 5.796387 18764.64       483.6181 19158.04       569.8149 17751.34       914.5078 396.6777 5.937364 379.6299 9.956912 17.04779       11.59277 
1 1 1 -9  7  17 o 86.55052 3.101132 903.4542       64.61836 837.3587       86.31168 987.7454       97.47082 82.98756 4.298870 90.11348 4.470772 -7.125916      6.202265 
1 1 1 -9  7  18 o 99.11404 3.035500 1183.124       72.33293 1056.752       96.13568 1348.007       109.8114 93.09422 4.268346 105.1339 4.317205 -12.03966      6.071000 
1 1 1 -9  7  19 f 84.94321 2.908065 871.0471       59.38748 767.8763       79.12225 1004.164       89.87469 79.25155 4.126563 90.63488 4.098639 -11.38333      5.816130 
1 1 1 -9  9  2  o 414.5683 7.523525 20806.39       754.6050 20806.39       754.6050 0.000000       0.000000 414.5683 7.523525 ?        ?        ?              ?        
1 1 1 -9  9  3  o 77.87515 2.392213 732.4258       45.02033 782.6591       65.09845 686.3763       62.32856 80.43005 3.345415 75.32025 3.420370 5.109802       4.784426 
1 1 1 -9  9  4  o 731.9553 9.053883 64916.81       1602.666 66030.59       2306.585 63877.20       2228.458 738.0082 12.91832 725.9023 12.68890 12.10583       18.10777 
1 1 1 -9  9  5  o 951.8417 11.71625 109996.5       2697.621 108827.4       3773.183 111219.0       3858.262 946.6897 16.47396 956.9936 16.66405 -10.30389      23.43249 
1 1 1 -9  9  6  f 215.3835 4.455001 5613.478       232.1467 5613.478       232.1467 0.000000       0.000000 215.3835 4.455001 ?        ?        ?              ?        
1 1 1 -9  9  7  o 549.7902 6.883631 36624.13       915.5082 36976.03       1307.274 36285.42       1282.529 552.3769 9.782025 547.2036 9.687595 5.173340       13.76726 
1 1 1 -9  9  8  o 76.33649 2.440559 706.5484       44.91864 724.1331       61.48586 686.4215       65.78046 77.35831 3.285231 75.31467 3.610065 2.043640       4.881118 
1 1 1 -9  9  9  o 450.9650 5.731989 24638.08       624.8021 24010.60       861.3474 25334.89       907.6791 444.9283 8.001769 457.0017 8.209414 -12.07343      11.46398 
1 1 1 -9  9  10 o 203.8306 3.023012 5029.413       149.0555 5116.093       213.0118 4946.248       208.6486 205.5506 4.283341 202.1106 4.267014 3.440002       6.046025 
1 1 1 -9  9  11 o 196.0343 2.948805 4654.163       139.8537 4669.939       197.4700 4638.287       198.0976 196.3684 4.156495 195.7003 4.183940 0.6681213      5.897610 
1 1 1 -9  9  12 o 247.2773 3.459069 7404.190       206.8233 7591.760       298.6951 7231.430       286.6605 250.2794 4.932881 244.2753 4.850495 6.004135       6.918137 
1 1 1 -9  9  13 o 190.3990 2.910269 4383.491       133.9074 4569.345       195.1631 4218.163       184.0706 194.2024 4.153754 186.5957 4.077375 7.606750       5.820538 
1 1 1 -9  9  14 o 168.7574 2.719831 3445.512       110.9414 3564.332       161.2519 3338.719       152.8728 171.5131 3.886023 166.0017 3.806409 5.511383       5.439662 
1 1 1 -9  9  15 o 50.04025 2.868413 301.6248       34.60075 328.5480       51.67846 279.7491       46.58297 52.04922 4.103865 48.03129 4.008673 4.017925       5.736825 
1 1 1 -9  9  16 o 29.38006 3.948616 107.5337       26.76800 115.6849       41.46304 101.7086       35.05101 30.30144 5.867828 28.45868 5.285343 1.842756       7.897231 
1 1 1 -9  9  17 f 35.86359 4.331213 150.8882       29.09398 144.9304       32.23840 177.0375       67.54008 34.52322 3.859755 37.20395 7.754992 -2.680721      8.662425 
1 1 1 -9  9  18 o 92.91867 2.680404 1053.293       50.09122 1054.110       56.83067 1050.446       106.0472 93.19333 2.520552 92.64402 4.731288 0.5493088      5.360808 
1 1 1 -9  9  19 o 81.16020 3.331020 811.9283       64.74950 827.4836       86.20331 791.7906       98.08161 82.15212 4.337134 80.16827 5.056881 1.983849       6.662040 
1 1 1 -9  9  20 o 17.88404 5.223516 15.41453       35.42887 12.24271       44.21157 21.10648       59.22603 16.46876 6.810874 19.29932 7.921647 -2.830568      10.44703 
1 1 1 -9  9  21 o 16.74036 4.900462 12.24521       32.00444 2.760262       41.46518 26.22249       50.33583 15.02255 6.423809 18.45817 7.402216 -3.435616      9.800924 
1 1 1 -9  11 1  o 585.0652 7.323483 41036.89       1027.751 44691.57       1582.666 38371.94       1351.477 607.3173 10.77138 562.8131 9.925267 44.50415       14.64697 
1 1 1 -9  11 2  f 188.9400 2.944813 4314.769       134.5298 4185.968       186.3150 4455.067       194.4535 185.9976 4.140359 191.8825 4.188690 -5.884857      5.889627 
1 1 1 -9  11 3  o 510.7368 6.429316 31571.57       793.9930 30944.24       1100.676 32252.19       1146.475 505.4574 9.000627 516.0161 9.183306 -10.55872      12.85863 
1 1 1 -9  11 4  o 685.2436 8.512803 56791.88       1408.380 59105.50       2073.513 54810.31       1918.955 698.1342 12.27624 672.3530 11.79683 25.78125       17.02561 
1 1 1 -9  11 5  o 868.8687 10.72215 91673.23       2253.074 93104.92       3239.845 90332.38       3135.378 875.4025 15.29728 862.3348 15.02836 13.06763       21.44431 
1 1 1 -9  11 6  o 399.8135 5.142652 19361.10       497.4316 19272.06       700.1593 19451.84       706.8374 398.8867 7.255127 400.7404 7.290446 -1.853729      10.28530 
1 1 1 -9  11 7  o 286.9077 3.880924 9963.809       269.3172 10136.25       386.3504 9800.808       375.6204 289.3198 5.519514 284.4955 5.457220 4.824280       7.761848 
1 1 1 -9  11 8  o 387.3152 6.040650 18531.25       554.0078 20231.12       734.5030 16287.92       843.7863 408.4418 7.432948 366.1886 9.524132 42.25317       12.08130 
1 1 1 -9  11 9  o 61.99451 3.263953 462.2110       47.50072 478.7626       77.79606 452.3726       59.97909 62.86483 5.115022 61.12420 4.055873 1.740635       6.527906 
1 1 1 -9  11 10 o 250.9135 4.295632 7589.738       244.4393 7763.236       430.4763 7507.175       296.9586 252.9123 7.035208 248.9146 4.931094 3.997696       8.591265 
1 1 1 -9  11 11 o 167.2916 3.342331 3421.732       128.5468 3292.088       216.8591 3491.962       159.6113 164.7800 5.439649 169.8032 3.885218 -5.023209      6.684662 
1 1 1 -9  11 12 o 199.8702 3.685191 4901.321       170.3987 5049.593       213.7007 4642.475       282.3557 204.1436 4.326810 195.5968 5.966678 8.546844       7.370382 
1 1 1 -9  11 13 o 94.50321 3.127008 1130.202       67.66946 1267.746       86.39151 911.8381       108.8531 102.3070 3.490305 86.69942 5.189460 15.60759       6.254017 
1 1 1 -9  11 14 o 126.5640 3.029311 1951.344       89.07088 1974.617       111.7312 1910.767       147.5342 127.6493 3.617878 125.4788 4.859820 2.170532       6.058622 
1 1 1 -9  11 15 o 190.2066 4.162785 4383.381       190.8686 4678.168       285.1080 4143.962       256.9420 195.9420 6.014223 184.4713 5.757102 11.47073       8.325569 
1 1 1 -9  11 16 o 30.74855 5.783576 101.7239       38.49366 165.7347       81.21513 83.17749       43.71596 35.88826 9.283585 25.60884 6.900296 10.27942       11.56715 
1 1 1 -9  11 17 o 90.66375 2.429229 984.7874       52.82806 1116.974       81.48961 888.9612       69.38259 95.82199 3.515076 85.50551 3.353931 10.31648       4.858458 
1 1 1 -9  11 18 o 73.34821 2.527823 647.2727       44.50360 727.4662       68.39508 588.3887       58.60762 77.22102 3.660893 69.47539 3.486750 7.745628       5.055646 
1 1 1 -9  11 19 o 93.81194 3.063967 1086.074       56.56856 1089.223       63.72184 1074.360       122.8840 94.57388 2.784933 93.04998 5.458545 1.523903       6.127933 
1 1 1 -9  11 20 o 40.67612 4.819380 203.3328       32.32115 198.8345       34.84505 231.0529       86.49998 40.23462 3.579636 41.11763 8.949409 -0.8830109     9.638761 
1 1 1 -9  13 1  o 443.6825 8.003060 23846.67       859.0743 23846.67       859.0743 0.000000       0.000000 443.6825 8.003060 ?        ?        ?              ?        
1 1 1 -9  13 2  o 517.5540 9.225086 32466.46       1155.123 32466.46       1155.123 0.000000       0.000000 517.5540 9.225086 ?        ?        ?              ?        
1 1 1 -9  13 3  o 335.9417 4.436872 13664.83       360.5933 13771.30       513.3604 13561.13       506.6182 337.2324 6.292030 334.6510 6.257290 2.581360       8.873743 
1 1 1 -9  13 4  o 793.2787 9.837597 76252.91       1881.447 72971.88       2536.687 80264.85       2805.040 774.5146 13.53739 812.0427 14.27769 -37.52802      19.67519 
1 1 1 -9  13 5  o 193.3526 2.997272 4516.040       140.0394 4338.932       192.3306 4715.884       204.3026 189.3274 4.198872 197.3777 4.278321 -8.050354      5.994544 
1 1 1 -9  13 6  o 102.6844 2.516735 1277.157       62.43986 1356.871       88.47414 1198.055       88.13343 105.8807 3.453802 99.48814 3.661567 6.392525       5.033470 
1 1 1 -9  13 7  o 76.41703 2.663482 705.8320       49.14719 770.4020       70.92496 646.1871       68.16634 79.77522 3.674758 73.05885 3.856514 6.716370       5.326964 
1 1 1 -9  13 8  o 283.0594 3.860726 9705.493       264.3018 9875.882       379.8562 9545.589       367.9848 285.4626 5.500062 280.6561 5.419424 4.806549       7.721453 
1 1 1 -9  13 9  o 337.1460 4.443768 13787.20       362.4428 13680.58       508.8344 13897.01       516.3923 335.8262 6.262671 338.4657 6.306128 -2.639526      8.887536 
1 1 1 -9  13 10 o 249.1444 3.503409 7521.767       211.1383 7614.003       302.0632 7433.648       295.2430 250.6349 4.981429 247.6539 4.927562 2.980942       7.006818 
1 1 1 -9  13 11 o 212.6216 3.160541 5478.456       162.5790 5493.945       230.6759 5463.168       229.1744 212.9195 4.478004 212.3237 4.461340 0.5958099      6.321082 
1 1 1 -9  13 12 o 84.26207 2.629532 860.3243       53.58896 835.7799       75.81382 884.8330       75.75868 83.05892 3.772765 85.46521 3.663876 -2.406288      5.259063 
1 1 1 -9  13 13 o 71.15067 2.945055 613.3277       50.67386 590.1584       70.59872 637.9496       72.77831 69.76504 4.182700 72.53629 4.147098 -2.771255      5.890110 
1 1 1 -9  13 14 o 66.08067 3.867829 553.0170       57.63767 600.0652       71.61594 466.5081       97.11093 70.31111 4.210013 61.85022 6.489699 8.460892       7.735658 
1 1 1 -9  13 15 o 152.4659 3.259549 2723.793       110.6842 3096.966       206.3028 2572.959       131.1593 159.3711 5.350486 145.5607 3.724370 13.81044       6.519097 
1 1 1 -9  13 16 o 92.21970 2.617556 1028.130       57.99904 1088.478       88.27549 982.2911       76.93503 94.56292 3.858487 89.87646 3.538146 4.686455       5.235112 
1 1 1 -9  13 17 o 56.52030 3.242116 378.2384       43.51270 463.1187       70.24548 325.3924       55.42696 61.47377 4.723089 51.56683 4.442714 9.906944       6.484233 
1 1 1 -9  13 18 o 75.23952 2.714241 674.4252       48.71470 811.8771       77.08957 583.0472       62.85517 81.43628 3.912689 69.04276 3.762881 12.39352       5.428482 
1 1 1 -9  13 19 o 31.51424 5.074694 132.0530       36.85716 126.5041       60.74074 135.2868       46.36946 30.71992 8.068591 32.30855 6.156941 -1.588623      10.14939 
1 1 1 -9  13 20 f 34.39148 5.634455 180.7720       41.87113 201.7672       47.60707 109.0541       87.98830 40.13548 4.902761 28.64749 10.14649 11.48800       11.26891 
1 1 1 -9  15 1  o 258.3459 3.638534 8064.303       227.0653 8417.555       332.6703 7756.184       310.6928 263.6259 5.215832 253.0658 5.074525 10.56010       7.277068 
1 1 1 -9  15 2  o 216.0681 3.226815 5623.070       168.1020 5309.563       226.5535 6007.112       250.7476 209.4069 4.471751 222.7294 4.653254 -13.32259      6.453629 
1 1 1 -9  15 3  o 139.1723 2.671345 2333.689       89.71445 2192.625       121.6625 2501.817       132.8214 134.5852 3.736434 143.7594 3.818821 -9.174240      5.342690 
1 1 1 -9  15 4  o 276.9513 3.814730 9271.628       255.2152 8928.396       349.3566 9664.429       373.7328 271.4732 5.319118 282.4294 5.469519 -10.95615      7.629459 
1 1 1 -9  15 5  o 417.5831 5.372015 21136.53       542.1999 20574.07       747.0978 21762.45       788.1186 411.7388 7.499864 423.4273 7.693259 -11.68857      10.74403 
1 1 1 -9  15 6  o 89.00986 2.744265 959.0071       59.08515 944.1595       82.54752 974.6053       84.60863 88.30402 3.863859 89.71571 3.898019 -1.411690      5.488529 
1 1 1 -9  15 7  o 58.21318 3.287456 416.6090       45.44353 328.6894       64.83916 501.4916       63.70944 52.07769 5.146161 64.34866 4.092248 -12.27097      6.574912 
1 1 1 -9  15 8  o 235.1398 3.388011 6699.382       192.7220 6765.539       274.8885 6635.430       270.2703 236.2798 4.808700 233.9998 4.773980 2.279968       6.776022 
1 1 1 -9  15 9  o 124.2140 2.631920 1868.460       79.07555 1925.466       112.4353 1812.665       111.2338 126.0899 3.685699 122.3380 3.758142 3.751945       5.263840 
1 1 1 -9  15 10 o 258.3332 3.624363 8083.629       226.3365 8324.239       328.3245 7865.735       312.4422 261.9850 5.179938 254.6814 5.070727 7.303635       7.248726 
1 1 1 -9  15 11 f 195.4888 3.052944 4632.599       144.3909 4647.146       204.0457 4618.007       204.3540 195.7972 4.307434 195.1805 4.327573 0.6167145      6.105889 
1 1 1 -9  15 12 o 104.6360 2.704914 1316.878       68.20635 1472.643       101.6680 1189.397       91.97533 110.2193 3.812629 99.05268 3.837981 11.16662       5.409828 
1 1 1 -9  15 13 o 97.85857 2.754883 1160.686       65.17663 1195.145       94.38659 1129.278       90.10945 99.24265 3.931060 96.47449 3.860607 2.768158       5.509766 
1 1 1 -9  15 14 o 280.4384 3.876886 9512.148       261.4491 10329.49       397.1806 8887.180       347.3075 290.9073 5.643273 269.9695 5.317372 20.93777       7.753772 
1 1 1 -9  15 15 o 215.2388 3.223426 5595.939       166.8139 6160.954       253.8052 5166.246       221.3351 224.6625 4.669470 205.8150 4.444992 18.84747       6.446852 
1 1 1 -9  15 16 o 95.14643 2.687578 1096.878       61.47548 1166.394       93.34502 1043.632       81.69413 97.76065 3.946615 92.53221 3.649183 5.228439       5.375156 
1 1 1 -9  15 17 o 94.81580 2.757870 1093.242       62.42446 1140.303       97.33903 1060.366       81.35789 96.46149 4.170909 93.17012 3.609281 3.291367       5.515740 
1 1 1 -9  15 18 o 82.25420 2.877296 813.1146       56.29920 936.1764       90.15636 734.4514       72.08094 87.16829 4.274994 77.34010 3.852241 9.828194       5.754592 
1 1 1 -9  15 19 f 65.02351 3.354135 517.3268       52.13360 591.9509       81.82249 466.3282       67.64134 68.82578 4.913820 61.22125 4.566755 7.604523       6.708270 
1 1 1 -9  15 20 o 30.11361 7.086136 120.8230       69.07586 214.1582       95.91980 20.27365       99.55778 37.71532 10.24593 22.51190 9.791537 15.20342       14.17227 
1 1 1 -9  17 1  o 380.2510 4.958417 17548.04       456.1548 17584.75       646.6348 17511.67       643.5767 380.6451 7.021605 379.8568 7.002904 0.7883606      9.916835 
1 1 1 -9  17 2  f 350.6867 4.628742 14916.43       392.6612 14730.25       549.4609 15110.75       561.3432 348.4552 6.517597 352.9182 6.574338 -4.463013      9.257483 
1 1 1 -9  17 3  o 131.6778 2.720669 2098.500       86.64513 2057.158       120.6327 2142.555       124.5296 130.3397 3.825482 133.0159 3.869606 -2.676270      5.441338 
1 1 1 -9  17 4  o 75.23850 3.019713 684.3415       54.89662 638.2373       75.92758 734.8407       79.46421 72.58727 4.323514 77.88974 4.216858 -5.302475      6.039426 
1 1 1 -9  17 5  o 305.7848 4.146572 11331.84       306.6051 11075.38       425.2762 11609.43       442.4433 302.1913 5.816835 309.3783 5.911062 -7.186981      8.293143 
1 1 1 -9  17 6  o 306.2167 4.142622 11349.06       306.4367 10934.63       419.4558 11823.42       448.7607 300.2470 5.774378 312.1863 5.941535 -11.93924      8.285245 
1 1 1 -9  17 7  o 324.1562 4.341844 12742.49       340.3203 12463.14       471.7825 13045.55       491.3870 320.4646 6.084984 327.8477 6.195112 -7.383087      8.683688 
1 1 1 -9  17 8  o 27.26219 5.936413 87.72797       45.52238 42.99506       66.05036 128.2016       62.82723 22.67601 8.655438 31.84836 8.126955 -9.172356      11.87283 
1 1 1 -9  17 9  o 57.02830 3.857785 395.3366       52.86000 456.2880       75.75694 337.5053       73.79244 61.33051 5.105562 52.72608 5.784744 8.604435       7.715570 
1 1 1 -9  17 10 o 128.9084 2.771786 2013.263       86.42033 2082.104       123.5731 1947.364       120.9042 131.0657 3.897020 126.7511 3.942643 4.314674       5.543572 
1 1 1 -9  17 11 o 130.1629 2.759366 2051.316       86.81429 2173.720       125.5831 1939.282       120.1452 133.8776 3.877224 126.4481 3.927281 7.429573       5.518732 
1 1 1 -9  17 12 o 173.4219 4.136801 3652.236       173.5685 0.000000       0.000000 3652.236       173.5685 ?        ?        173.4219 4.136801 ?              ?        
1 1 1 -9  17 13 o 141.4135 2.738783 2414.982       93.27219 2588.356       140.3045 2277.685       124.8565 145.9148 3.974383 136.9122 3.769351 9.002640       5.477566 
1 1 1 -9  17 14 o 99.37173 2.834639 1182.788       67.55796 1409.972       103.2103 1012.479       89.36182 107.5877 3.965136 91.15577 4.051963 16.43194       5.669278 
1 1 1 -9  17 15 o 81.07425 3.070376 800.5754       60.06932 850.4945       88.95048 758.7236       81.44637 83.37395 4.409766 78.77454 4.273499 4.599419       6.140752 
1 1 1 -9  17 16 o 120.6485 2.765829 1731.418       79.45950 2078.266       126.8405 1507.378       101.9418 130.2743 4.024358 111.0226 3.795231 19.25169       5.531658 
1 1 1 -9  17 17 o 37.80108 5.599504 193.4462       49.02915 160.0635       78.95066 214.4020       62.55293 34.30951 9.285067 41.29266 6.261415 -6.983154      11.19901 
1 1 1 -9  17 18 o 32.40787 6.148295 138.5713       49.43599 190.8652       77.30553 102.3896       64.30273 37.21750 8.735315 27.59824 8.654501 9.619261       12.29659 
1 1 1 -9  17 19 o 83.63240 3.190371 862.4437       63.71405 972.3000       100.3466 788.2402       82.47115 87.87444 4.719955 79.39035 4.293704 8.484093       6.380742 
1 1 1 -9  17 20 o 42.45880 7.990723 303.7654       84.74226 356.9304       120.0938 251.0411       119.5950 46.98958 10.79124 37.92802 11.78794 9.061554       15.98145 
1 1 1 -9  19 1  o 259.2508 3.678708 8148.143       230.7114 8220.903       329.2481 8077.952       323.3814 260.3849 5.226431 258.1166 5.178415 2.268311       7.357415 
1 1 1 -9  19 2  o 239.9402 3.502484 6975.857       203.2635 7112.796       291.7229 6846.644       283.3749 242.2252 4.977931 237.6551 4.928467 4.570068       7.004969 
1 1 1 -9  19 3  o 281.3007 3.895238 9597.845       265.0981 9593.146       374.6173 9602.557       375.1940 281.2321 5.505803 281.3692 5.511591 -0.1371155     7.790475 
1 1 1 -9  19 4  o 128.5369 2.815752 2001.626       87.56030 2020.010       123.7368 1983.187       123.9214 129.1291 3.960703 127.9447 4.003331 1.184402       5.631503 
1 1 1 -9  19 5  o 231.2890 3.417750 6474.989       191.0621 6731.175       277.8072 6245.051       263.1901 235.6185 4.873396 226.9595 4.793127 8.659058       6.835500 
1 1 1 -9  19 6  o 278.2605 3.872335 9395.646       260.6906 9398.978       368.2576 9392.301       369.0883 278.3110 5.469140 278.2099 5.483468 0.1010742      7.744670 
1 1 1 -9  19 7  o 324.8918 4.369532 12800.47       342.9955 12369.76       470.4157 13289.36       501.1825 319.0879 6.093534 330.6958 6.264190 -11.60794      8.739063 
1 1 1 -9  19 8  o 121.1527 2.794384 1778.298       81.88240 1735.311       114.1242 1823.904       117.5502 119.6452 3.942575 122.6602 3.961115 -3.014915      5.588768 
1 1 1 -9  19 9  o 129.7839 2.883415 2040.499       90.38931 2211.715       130.2901 1881.631       125.5038 135.0332 3.988122 124.5346 4.165477 10.49863       5.766829 
1 1 1 -9  19 10 o 64.32894 3.706349 500.5758       56.97788 618.6109       84.04494 400.1851       77.50909 71.33125 4.870005 57.32663 5.588483 14.00462       7.412698 
1 1 1 -9  19 11 o 97.07005 2.984913 1138.245       69.85175 1233.938       104.2823 1060.367       94.07497 100.7406 4.278621 93.39952 4.163198 7.341072       5.969826 
1 1 1 -9  19 12 o 93.45007 2.982702 1055.447       67.13428 1150.023       100.9536 980.4624       89.89086 97.16329 4.294545 89.73686 4.140400 7.426430       5.965403 
1 1 1 -9  19 13 o 68.82317 3.669269 575.6084       60.72084 626.0397       92.30415 537.1354       80.62115 71.42996 5.341196 66.21638 5.032471 5.213585       7.338538 
1 1 1 -9  19 14 o 97.19986 2.980341 1128.720       69.25398 1360.301       108.2041 968.0299       90.13348 105.4399 4.241666 88.95982 4.187839 16.48008       5.960681 
1 1 1 -9  19 15 o 37.37134 5.779917 195.9411       51.28442 119.8988       82.00792 244.7783       65.72087 30.42956 9.800583 44.31311 6.130116 -13.88355      11.55983 
1 1 1 -9  19 16 o 62.41516 3.946825 468.8106       58.40922 584.9384       94.77493 397.6905       74.16891 68.36398 5.730121 56.46633 5.429127 11.89765       7.893650 
1 1 1 -9  19 17 o 33.94147 6.201128 167.4254       53.02630 106.4200       84.00925 207.8267       68.36603 28.42674 9.926919 39.45619 7.434529 -11.02945      12.40226 
1 1 1 -9  19 18 o 53.75961 4.773193 382.4721       60.00531 363.8881       96.31967 394.2593       76.70987 52.09092 7.642768 55.42831 5.720280 -3.337391      9.546387 
1 1 1 -9  19 19 o 24.57628 6.777397 80.56119       58.91882 46.50518       98.54459 99.50836       73.50352 23.09639 9.890336 26.05617 9.268963 -2.959780      13.55479 
1 1 1 -9  21 1  o 164.7025 2.942855 3287.552       117.2504 3249.376       164.1995 3327.270       167.4834 163.7284 4.145200 165.6766 4.178383 -1.948151      5.885709 
1 1 1 -9  21 2  o 174.2518 3.014977 3657.628       126.6693 3396.784       170.7611 3976.769       188.8812 167.3922 4.216492 181.1113 4.310631 -13.71912      6.029954 
1 1 1 -9  21 3  o 69.15111 3.707088 580.6712       61.99258 590.9426       86.89330 570.0238       88.46947 69.77841 5.147103 68.52380 5.336416 1.254616       7.414176 
1 1 1 -9  21 4  o 174.3471 3.010142 3684.444       126.9421 3790.501       181.4841 3582.850       177.6247 176.8040 4.242718 171.8902 4.271200 4.913803       6.020283 
1 1 1 -9  21 5  o 186.5349 3.085079 4216.841       139.1605 4374.714       200.4604 4069.988       193.3382 189.9015 4.363126 183.1683 4.362797 6.733246       6.170159 
1 1 1 -9  21 6  o 222.5049 3.356189 6010.327       180.6384 6100.790       258.4799 5923.970       252.5459 224.1372 4.766620 220.8725 4.726028 3.264725       6.712377 
1 1 1 -9  21 7  o 173.5333 3.021518 3655.988       126.8518 3615.613       178.9135 3696.802       179.8817 172.5681 4.285291 174.4984 4.260818 -1.930374      6.043036 
1 1 1 -9  21 8  o 127.7010 2.817968 1969.037       86.81407 2171.480       128.1766 1797.461       118.0010 133.7343 3.961537 121.6677 4.008739 12.06654       5.635935 
1 1 1 -9  21 9  o 19.72775 5.908246 -0.8243179E-01 49.45860 25.18623       71.17258 -23.67998      68.77887 21.58242 8.750076 17.87307 7.941388 3.709349       11.81649 
1 1 1 -9  21 10 o 151.2007 2.913275 2775.662       106.4235 2958.588       155.2287 2613.422       146.1889 155.8894 4.115790 146.5120 4.124191 9.377335       5.826550 
1 1 1 -9  21 11 o 204.1358 3.237093 5053.562       159.0886 5471.845       239.9356 4725.401       212.5212 211.5680 4.687512 196.7036 4.465682 14.86443       6.474185 
1 1 1 -9  21 12 f 84.78387 3.266644 865.3780       66.37501 1046.060       101.2675 729.2939       87.88538 92.42940 4.528534 77.13836 4.709166 15.29104       6.533288 
1 1 1 -9  21 13 o 110.3144 3.042287 1480.167       80.87396 1645.304       120.8213 1346.114       108.8580 115.8420 4.310973 104.7868 4.293896 11.05515       6.084573 
1 1 1 -9  21 14 o 93.99155 3.207409 1067.592       72.21657 1262.944       111.7789 927.6332       94.61331 101.2169 4.564619 86.76624 4.507121 14.45062       6.414817 
1 1 1 -9  21 15 o 56.76122 4.599456 405.2711       62.08634 516.6205       92.25258 313.0813       83.94141 64.04385 5.953861 49.47858 7.012240 14.56528       9.198912 
1 1 1 -9  21 16 o 38.29844 6.480769 206.9317       59.76647 245.7664       84.67944 168.3834       84.36654 42.23630 8.579581 34.36058 9.715567 7.875713       12.96154 
1 1 1 -9  21 17 o 19.57141 6.197181 -10.13158      59.86656 1.655727       91.18217 -19.06268      79.36978 20.71468 9.176704 18.42814 8.331164 2.286535       12.39436 
1 1 1 -9  21 18 o 29.50033 7.246187 122.7765       68.64322 227.9387       104.3148 42.46238       91.16161 36.75443 10.92775 22.24623 9.519092 14.50820       14.49237 
1 1 1 -9  23 1  o 125.7579 2.916487 1919.410       88.71230 1982.349       126.6101 1858.711       124.3371 127.7856 4.095286 123.7302 4.153580 4.055397       5.832975 
1 1 1 -9  23 2  o 78.71320 3.448421 753.4938       65.64111 781.6319       93.04696 725.6158       92.61565 80.18298 4.796425 77.24342 4.955878 2.939568       6.896842 
1 1 1 -9  23 3  o 128.8795 2.907845 2008.919       90.45718 2206.803       132.4164 1835.773       123.8631 134.8126 4.059841 122.9464 4.164125 11.86617       5.815690 
1 1 1 -9  23 4  o 70.65558 3.586773 607.2728       61.22007 614.9327       89.30836 600.4828       84.08414 71.06490 5.194391 70.24626 4.947531 0.8186340      7.173546 
1 1 1 -9  23 5  o 118.6209 2.889288 1710.278       82.88124 1696.355       118.7417 1723.506       115.7395 118.1409 4.154327 119.1008 4.016654 -0.9599304     5.778576 
1 1 1 -9  23 6  o 44.86363 5.358914 249.2505       55.68028 334.0006       83.33756 180.9124       74.83456 52.18916 6.600216 37.53809 8.444465 14.65107       10.71783 
1 1 1 -9  23 7  o 60.06699 4.310805 439.3056       62.15502 523.6099       91.84547 368.0755       84.42373 65.38378 5.806112 54.75019 6.373479 10.63359       8.621611 
1 1 1 -9  23 8  o 94.27641 3.263758 1085.476       74.42812 1065.863       105.5815 1104.849       104.9360 93.41907 4.671431 95.13374 4.559190 -1.714676      6.527517 
1 1 1 -9  23 9  f 68.54688 3.878902 577.2495       64.32009 581.8209       91.80807 572.8426       90.13958 68.80769 5.514949 68.28606 5.456086 0.5216293      7.757805 
1 1 1 -9  23 10 f 60.06256 4.425571 452.2340       63.28911 534.8262       88.67961 366.4963       90.35248 65.86761 5.564799 54.25750 6.883004 11.61011       8.851143 
1 1 1 -9  23 11 o 155.3937 3.035371 2943.450       113.7908 3231.467       168.3054 2700.944       154.4367 162.3598 4.284669 148.4277 4.300642 13.93207       6.070742 
1 1 1 -9  23 12 o 101.7688 3.150003 1259.053       77.07435 1436.628       116.9444 1122.685       102.4812 108.0265 4.474523 95.51104 4.434944 12.51548       6.300006 
1 1 1 -9  23 13 o 64.83751 4.143444 521.1543       64.59854 592.5860       97.99604 466.2613       85.90556 68.70483 5.895477 60.97019 5.823732 7.734638       8.286887 
1 1 1 -9  23 14 o 81.39980 3.634815 826.8283       71.30399 934.8056       104.0728 731.3011       97.88916 86.47832 4.974252 76.32128 5.301352 10.15704       7.269630 
1 1 1 -9  23 15 o 60.87351 4.576431 480.4552       67.20123 435.6582       94.03214 527.2194       96.07455 57.81176 6.722919 63.93526 6.211058 -6.123505      9.152862 
1 1 1 -9  23 16 o 53.95315 5.296507 394.6831       68.70021 458.2950       100.9748 339.8585       93.74144 58.23559 7.166751 49.67071 7.800618 8.564884       10.59301 
1 1 1 -9  23 17 o 21.55226 6.463995 -13.71748      68.00070 132.2845       99.12038 -143.5308      93.46375 28.18913 10.64055 14.91540 7.342456 13.27373       12.92799 
1 1 1 -9  25 1  o 78.31042 3.502010 749.0826       66.33131 768.3727       95.15300 730.8470       92.51584 79.28940 4.960267 77.33145 4.944901 1.957947       7.004020 
1 1 1 -9  25 2  o 155.4319 2.954203 2943.360       111.0725 2874.899       155.5178 3014.643       158.6907 153.5856 4.185307 157.2782 4.170428 -3.692642      5.908406 
1 1 1 -9  25 3  o 135.2357 2.928260 2204.532       95.27242 2501.625       143.9136 1972.746       127.1157 143.2536 4.152350 127.2178 4.129990 16.03582       5.856521 
1 1 1 -9  25 4  o 39.30694 6.196867 203.6587       57.58498 165.2915       84.30697 237.2132       78.84234 35.57964 9.580659 43.03424 7.862290 -7.454601      12.39373 
1 1 1 -9  25 5  o 152.7530 2.962734 2823.783       108.9824 3112.524       164.0399 2595.641       145.8138 159.6646 4.246574 145.8413 4.132525 13.82323       5.925467 
1 1 1 -9  25 6  o 73.36397 3.708526 652.2490       65.21629 727.1213       100.9258 598.5743       85.45287 76.88981 5.425389 69.83812 5.057452 7.051689       7.417053 
1 1 1 -9  25 7  o 105.5080 3.212312 1359.235       81.68131 1417.091       121.9282 1312.131       110.0175 107.4936 4.688341 103.5224 4.392636 3.971237       6.424624 
1 1 1 -9  25 8  o 51.76466 5.370402 339.9008       66.64594 310.5550       98.09389 365.0604       90.82807 49.50857 8.189536 54.02075 6.949558 -4.512177      10.74080 
1 1 1 -9  25 9  o 29.64593 6.775052 104.2446       59.31925 170.8312       85.79405 43.25758       82.10750 35.62787 9.694719 23.66399 9.466665 11.96388       13.55010 
1 1 1 -9  25 10 o 53.45817 5.087455 367.5443       64.78287 313.6166       94.84033 414.7163       88.70111 49.46429 7.924994 57.45204 6.381478 -7.987751      10.17491 
1 1 1 -9  25 11 o 60.84554 4.647992 469.4796       68.37581 493.1690       97.59994 446.6460       95.82060 62.39851 6.465065 59.29257 6.679690 3.105946       9.295984 
1 1 1 -9  25 12 f 31.60088 7.304772 135.8379       66.64024 184.3086       94.18883 87.25457       94.29831 35.92552 10.30239 27.27623 10.35855 8.649286       14.60954 
1 1 1 -9  25 13 o 104.6423 3.264877 1371.129       82.61088 1378.243       118.9312 1364.496       114.8353 104.8491 4.688444 104.4355 4.544908 0.4136047      6.529754 
1 1 1 -9  25 14 o 24.76538 7.102465 66.25391       67.11945 87.43260       90.45793 40.31033       100.1179 26.07292 10.08363 23.45785 10.00502 2.615074       14.20493 
1 1 1 -9  25 15 f 23.65691 6.973393 52.76757       69.28367 -4.846128      98.37765 109.4635       97.59090 20.30771 9.218753 27.00611 10.46554 -6.698404      13.94679 
1 1 1 -9  27 1  o 27.56439 6.756074 87.17817       58.31451 31.98857       87.64102 131.0241       78.11663 23.49912 9.639866 31.62966 9.468428 -8.130539      13.51215 
1 1 1 -9  27 2  o 23.02373 6.570233 32.17517       58.19489 -9.005597      87.65454 64.63393       77.82034 20.91685 9.140662 25.13061 9.440347 -4.213757      13.14047 
1 1 1 -9  27 3  o 25.54946 6.889637 53.88487       60.20683 105.9409       92.69179 15.89420       79.18522 29.63956 10.42297 21.45936 9.012779 8.180199       13.77927 
1 1 1 -9  27 4  o 68.96310 4.039080 588.9005       66.91087 598.4544       101.1358 581.4634       89.23092 69.36308 6.026627 68.56312 5.379260 0.7999573      8.078160 
1 1 1 -9  27 5  o 59.69439 4.569693 437.2253       65.19620 545.0286       99.73466 356.7853       86.15211 66.06109 6.240193 53.32770 6.677452 12.73339       9.139386 
1 1 1 -9  27 6  o 64.13541 4.351722 510.6455       67.16505 553.5975       101.5674 477.2657       89.53741 66.45612 6.317088 61.81472 5.987015 4.641399       8.703444 
1 1 1 -9  27 7  o 142.7743 3.082496 2495.120       106.0582 2722.314       158.8055 2312.199       142.4946 148.5628 4.418280 136.9858 4.299527 11.57703       6.164992 
1 1 1 -9  27 8  o 86.50360 5.405206 966.3229       112.8790 939.4408       163.4415 990.8388       156.0827 85.14428 7.934228 87.86292 7.342549 -2.718643      10.81041 
1 1 1 -9  27 9  o 59.36082 4.783091 457.3353       66.54230 588.2809       94.90767 330.7276       93.32239 68.29991 5.743530 50.42172 7.650078 17.87819       9.566181 
1 1 1 -9  27 10 o 39.49706 6.129627 206.4212       67.34003 40.00157       91.51872 402.8963       99.44005 23.51276 9.767705 55.48135 7.408189 -31.96859      12.25925 
1 1 1 -9  27 11 o 109.2644 3.444255 1504.445       90.88974 1489.281       124.6640 1521.652       132.7961 108.7983 4.736052 109.7305 5.002137 -0.9321823     6.888509 
1 1 1 -9  27 12 o 44.23830 6.848204 298.6208       75.77481 436.2780       107.5358 162.8625       106.7916 56.32259 7.891659 32.15402 11.19434 24.16856       13.69641 
1 1 1 -9  27 13 o 36.19276 7.467054 220.9891       73.01954 281.0491       100.1033 152.6922       106.7471 42.13234 9.974897 30.25319 11.11436 11.87915       14.93411 
1 1 1 -9  29 1  o 39.53731 6.948449 214.1828       67.97396 297.4203       100.5186 144.0463       92.26968 46.68447 9.226726 32.39015 10.39189 14.29432       13.89690 
1 1 1 -9  29 2  o 35.26917 7.006616 176.5322       64.30624 123.0867       96.30920 219.5294       86.38377 30.55020 10.63105 39.98814 9.129704 -9.437941      14.01323 
1 1 1 -9  29 3  o 74.08339 4.071215 685.8922       72.66478 746.0066       109.0410 637.8703       97.45866 76.93129 5.858477 71.23549 5.654859 5.695801       8.142430 
1 1 1 -9  29 4  o 78.64351 3.815561 767.6440       72.05936 911.2628       107.7697 651.5154       96.90814 85.31448 5.221214 71.97253 5.565334 13.34196       7.631122 
1 1 1 -9  29 5  o 34.87354 7.566825 181.3359       73.92188 227.1976       92.57256 100.6306       122.8028 40.16190 9.647899 29.58517 11.65956 10.57672       15.13365 
1 1 1 -9  29 6  o 29.84061 7.708219 28.37426       96.36863 -217.0137      138.1552 260.9161       134.4904 18.55667 9.092946 41.12456 12.44929 -22.56789      15.41644 
1 1 1 -9  29 7  o 41.35543 8.678230 269.5611       95.16136 211.7787       136.4928 324.2118       132.7425 36.82278 12.66494 45.88808 11.86786 -9.065300      17.35646 
1 1 1 -9  29 8  o 75.54118 6.331644 796.6793       114.9782 844.7354       158.2124 742.8912       167.3823 78.64262 8.315348 72.43975 9.550593 6.202866       12.66329 
1 1 1 -9  29 9  o 40.10224 9.518001 289.9075       111.7518 344.5568       154.0172 229.1493       162.3974 44.21884 13.30821 35.98565 13.61106 8.233196       19.03600 
1 1 1 -9  29 10 o 40.30267 9.834461 323.3074       117.0262 338.2510       157.3664 304.8186       175.0408 41.97366 13.58229 38.63167 14.22631 3.341991       19.66892 
1 1 1 -9  29 11 o 31.26278 8.951603 191.5391       105.5745 206.5437       145.8320 175.0149       153.0385 32.18345 12.69877 30.34211 12.62006 1.841345       17.90321 
1 1 1 -8  0  5  o 361.2328 4.680626 15809.90       578.0687 15809.90       578.0687 15809.90       578.0687 361.2328 6.619404 361.2328 6.619404 0.000000       0.000000 
1 1 1 -8  0  6  o 518.4586 9.330913 32635.34       1652.796 32635.34       1652.796 32635.34       1652.796 518.4586 13.19590 518.4586 13.19590 0.000000       0.000000 
1 1 1 -8  2  2  o 223.8380 3.150644 6064.844       170.6220 6072.021       241.4571 6057.687       241.1353 223.9702 4.456023 223.7057 4.455345 0.2644958      6.301289 
1 1 1 -8  2  3  o 557.6334 13.99092 37846.52       1887.546 37846.52       1887.546 0.000000       0.000000 557.6334 13.99092 ?        ?        ?              ?        
1 1 1 -8  2  4  o 141.8554 2.353460 2434.502       80.76212 2397.785       113.2183 2472.541       115.2383 140.7667 3.324407 142.9441 3.332178 -2.177399      4.706919 
1 1 1 -8  2  5  o 48.35833 1.819120 282.8958       21.27414 271.7403       29.88738 294.3533       30.28899 47.39198 2.606638 49.32467 2.538156 -1.932686      3.638241 
1 1 1 -8  2  6  o 301.0899 3.991289 10966.90       290.6312 10769.23       404.2120 11178.46       418.1726 298.2840 5.601147 303.8958 5.687593 -5.611877      7.982579 
1 1 1 -8  2  8  o 441.5405 6.946262 23334.48       691.1107 24378.35       1238.442 22862.38       832.8556 448.5277 11.41259 434.5533 7.921808 13.97440       13.89252 
1 1 1 -8  2  9  o 203.9215 4.181318 5023.040       206.0365 4836.407       282.9208 5233.790       300.6454 199.8976 5.849987 207.9453 5.975897 -8.047729      8.362637 
1 1 1 -8  2  10 o 191.7973 4.017201 4453.200       186.4069 4437.834       262.7612 4468.769       264.4857 191.4645 5.672452 192.1302 5.689897 -0.6656952     8.034403 
1 1 1 -8  2  11 o 239.2093 4.784165 6930.746       276.7822 6797.145       385.3187 7073.171       397.8397 236.8314 6.724785 241.5871 6.806630 -4.755646      9.568331 
1 1 1 -8  4  1  o 268.8666 3.643088 8744.249       236.8374 8966.978       342.2145 8539.504       328.1080 272.1478 5.197462 265.5855 5.106344 6.562256       7.286176 
1 1 1 -8  4  2  o 329.9673 4.322640 13185.28       345.0732 13119.02       485.9010 13252.69       490.1411 329.1317 6.102050 330.8029 6.124201 -1.671143      8.645280 
1 1 1 -8  4  3  o 430.2700 5.472488 22432.41       569.6607 22324.00       802.0085 22542.79       809.2845 429.2225 7.723145 431.3176 7.755356 -2.095123      10.94498 
1 1 1 -8  4  4  o 202.4983 2.946049 4962.502       144.3311 4979.922       204.6349 4945.257       203.5989 202.8518 4.169640 202.1447 4.163043 0.7071381      5.892098 
1 1 1 -8  4  5  o 175.2652 2.681258 3714.063       113.6423 3620.568       157.8380 3814.698       163.7543 172.9770 3.771558 177.5533 3.812076 -4.576279      5.362515 
1 1 1 -8  4  6  o 884.0637 15.46340 95129.90       3303.715 97858.41       4810.861 92694.84       4544.801 895.9447 22.19419 872.1828 21.53798 23.76190       30.92680 
1 1 1 -8  4  7  o 504.3662 6.339304 30772.94       772.9158 31557.41       1120.805 30061.58       1067.294 510.4825 9.075003 498.2500 8.853895 12.23251       12.67861 
1 1 1 -8  4  8  o 469.6108 5.933197 26693.73       673.8969 27108.56       967.7343 26303.18       938.9840 473.1480 8.453893 466.0735 8.327247 7.074493       11.86639 
1 1 1 -8  4  9  o 503.0351 6.329707 30644.95       770.1578 31058.87       1103.854 30252.35       1075.052 506.3391 9.010899 499.7312 8.891820 6.607910       12.65941 
1 1 1 -8  4  10 o 480.5285 6.074627 27988.06       706.1796 28170.63       1005.318 27810.22       992.1887 482.0720 8.619645 478.9850 8.561899 3.087067       12.14925 
1 1 1 -8  4  11 f 450.4535 5.737487 24617.04       625.2661 24526.16       880.8495 24709.34       887.7101 449.6182 8.097587 451.2887 8.130445 -1.670532      11.47497 
1 1 1 -8  4  12 o 285.0524 4.417242 9980.071       269.2332 10130.86       315.5397 9576.442       516.2593 289.2192 4.509461 280.8855 7.596897 8.333649       8.834483 
1 1 1 -8  4  13 o 233.6817 4.642457 6592.476       261.5562 6239.144       352.4526 7025.580       390.2159 226.7639 6.424281 240.5994 6.703600 -13.83554      9.284914 
1 1 1 -8  4  14 o 78.21893 2.859742 738.4487       53.97728 705.7704       73.19987 777.3944       79.91178 76.33134 3.963739 80.10653 4.123259 -3.775185      5.719483 
1 1 1 -8  4  15 o 159.7306 3.600446 3078.807       138.7309 2891.136       187.6229 3305.176       206.0608 154.3938 5.022893 165.0674 5.159787 -10.67365      7.200892 
1 1 1 -8  6  1  o 439.8347 5.595600 23419.85       595.0007 22939.77       822.7377 23946.26       861.5174 435.1222 7.815341 444.5473 8.010207 -9.425140      11.19120 
1 1 1 -8  6  2  o 281.9744 3.796404 9615.880       258.8243 9871.264       374.3082 9381.895       358.2831 285.5567 5.417945 278.3921 5.319454 7.164612       7.592807 
1 1 1 -8  6  3  o 658.6969 8.182015 52643.09       1303.911 52599.48       1842.546 52686.84       1845.474 658.4244 11.56672 658.9694 11.57552 -0.5450439     16.36403 
1 1 1 -8  6  4  o 629.9988 7.833003 48123.76       1193.874 47923.38       1680.958 48327.73       1695.927 628.6788 11.05161 631.3187 11.10340 -2.639832      15.66601 
1 1 1 -8  6  5  o 815.5141 10.06085 80697.55       1984.853 81346.15       2830.199 80069.79       2784.374 818.7275 14.28813 812.3007 14.16800 6.426880       20.12170 
1 1 1 -8  6  6  o 421.8166 5.379765 21530.39       548.8293 21892.41       788.8649 21190.79       764.0533 425.2490 7.667557 418.3842 7.548247 6.864838       10.75953 
1 1 1 -8  6  7  o 669.7003 8.311262 54311.13       1345.717 55534.47       1946.811 53191.74       1862.266 676.9017 11.88765 662.4988 11.61861 14.40283       16.62252 
1 1 1 -8  6  8  o 441.1205 5.602907 23561.36       597.9376 23693.23       850.1776 23432.29       841.1182 442.3406 7.944206 439.9003 7.903154 2.440338       11.20581 
1 1 1 -8  6  9  o 541.2079 6.781919 35497.03       887.8576 35113.46       1241.742 35898.24       1269.975 538.2236 9.535998 544.1923 9.645849 -5.968628      13.56384 
1 1 1 -8  6  10 o 445.8997 5.673673 24096.53       611.8389 23694.05       851.1318 24526.92       880.1387 442.0572 7.958221 449.7422 8.088819 -7.685028      11.34735 
1 1 1 -8  6  11 o 382.7017 4.939627 17761.22       457.3492 17689.41       644.2896 17834.16       649.3186 381.9238 6.972718 383.4796 6.998633 -1.555817      9.879253 
1 1 1 -8  6  12 o 170.2663 2.670198 3498.893       109.7996 3704.664       161.2545 3321.022       149.9240 174.9171 3.810458 165.6156 3.741690 9.301559       5.340397 
1 1 1 -8  6  13 o 238.5750 3.350207 6894.332       193.3149 6781.433       269.3557 7014.254       277.6081 236.5645 4.706243 240.5855 4.769362 -4.021027      6.700413 
1 1 1 -8  6  14 o 276.2185 4.321358 9371.548       253.4683 9495.022       295.7959 9030.339       491.7146 279.9164 4.367788 272.5207 7.457811 7.395721       8.642715 
1 1 1 -8  6  15 f 235.1251 3.859538 6538.009       184.3626 6398.431       208.8678 7030.339       392.2764 229.8000 3.756808 240.4501 6.743184 -10.65001      7.719076 
1 1 1 -8  6  16 o 106.4243 3.125748 1368.544       80.15927 1311.124       107.7796 1439.619       119.9134 103.9477 4.285675 108.9008 4.551286 -4.953133      6.251497 
1 1 1 -8  6  17 o 149.2794 3.517957 2712.731       127.0435 2717.430       178.5411 2707.912       180.8138 149.4172 4.938958 149.1418 5.011065 0.2754059      7.035914 
1 1 1 -8  6  18 o 92.67392 2.926251 1035.396       65.26909 923.8549       87.37630 1176.205       98.17309 87.08430 4.147167 98.26353 4.129503 -11.17924      5.852502 
1 1 1 -8  8  1  f 1004.523 24.85046 123378.9       6039.437 0.000000       0.000000 123378.9       6039.437 ?        ?        1004.523 24.85046 ?              ?        
1 1 1 -8  8  2  o 618.2559 7.703854 46154.60       1148.872 44195.38       1553.875 48517.05       1706.301 603.8672 10.63586 632.6445 11.14791 -28.77734      15.40771 
1 1 1 -8  8  3  o 251.6741 3.490570 7657.164       212.4017 7877.255       307.1940 7455.569       294.0026 255.1348 4.976692 248.2134 4.895800 6.921387       6.981140 
1 1 1 -8  8  4  o 993.5917 17.34627 120392.2       4169.491 121237.4       5940.760 119571.7       5853.314 996.9958 24.62897 990.1876 24.43329 6.808167       34.69254 
1 1 1 -8  8  5  o 822.2983 10.14264 82014.02       2017.802 82201.53       2860.978 81828.43       2846.285 823.2303 14.36451 821.3663 14.32317 1.864014       20.28528 
1 1 1 -8  8  6  o 633.1208 7.867355 48572.36       1205.059 48386.59       1697.550 48761.07       1710.951 631.9028 11.10376 634.3389 11.14844 -2.436096      15.73471 
1 1 1 -8  8  7  o 274.5842 3.733965 9120.884       247.9845 9279.651       355.9189 8971.093       345.7099 276.9048 5.312737 272.2637 5.248315 4.641113       7.467930 
1 1 1 -8  8  8  o 517.6351 6.504966 32448.59       814.1960 31831.71       1128.983 33117.14       1175.307 512.5218 9.104851 522.7485 9.293009 -10.22668      13.00993 
1 1 1 -8  8  9  o 258.1976 3.560280 8054.052       222.0808 7764.471       304.2606 8384.237       324.8932 253.2441 4.965969 263.1510 5.103089 -9.906891      7.120559 
1 1 1 -8  8  10 o 213.9088 3.106807 5540.233       160.7837 5526.892       226.8627 5553.697       227.9060 213.6503 4.388916 214.1673 4.398456 -0.5170441     6.213614 
1 1 1 -8  8  11 o 370.3956 4.803581 16627.86       430.1853 17034.67       622.0136 16254.87       595.5938 374.7240 6.860978 366.0671 6.724921 8.656952       9.607162 
1 1 1 -8  8  12 o 172.5395 2.725932 3601.369       113.7253 3719.053       164.2538 3493.004       157.6152 175.2432 3.874109 169.8358 3.835895 5.407410       5.451863 
1 1 1 -8  8  13 o 65.43024 2.467306 519.0479       38.98827 506.1618       56.42670 530.8202       53.93327 64.64986 3.607571 66.21062 3.366873 -1.560760      4.934613 
1 1 1 -8  8  14 o 115.6426 2.353206 1615.395       65.74435 1698.643       96.16737 1542.346       90.08363 118.4315 3.356280 112.8536 3.299348 5.577911       4.706412 
1 1 1 -8  8  15 o 240.1354 3.378859 6980.462       196.0075 7293.607       287.0002 6706.728       268.3334 245.1614 4.838691 235.1094 4.717397 10.05199       6.757719 
1 1 1 -8  8  16 o 91.04552 2.714743 1039.515       49.92175 1069.021       57.13702 944.3188       102.6290 93.94576 2.513843 88.14529 4.812475 5.800468       5.429486 
1 1 1 -8  8  17 o 71.59088 2.682271 621.4848       38.16530 620.4952       43.06768 625.1041       82.36646 71.55024 2.487929 71.63152 4.752738 -0.8127594E-01 5.364542 
1 1 1 -8  8  18 o 74.80934 3.199850 678.9815       57.43056 649.2564       75.77810 719.0958       88.03020 72.93554 4.294397 76.68314 4.744926 -3.747604      6.399701 
1 1 1 -8  8  19 o 42.56437 4.090366 225.8587       40.77377 231.5289       51.96476 216.7757       65.76962 43.39093 4.950027 41.73780 6.513186 1.653137       8.180732 
1 1 1 -8  8  20 o 66.27591 3.149875 536.1429       50.21145 495.3004       66.74030 589.4111       76.21954 63.42379 4.349443 69.12803 4.557323 -5.704243      6.299750 
1 1 1 -8  8  21 o 12.93873 3.987348 -5.079441      23.56987 -13.13504      32.57952 3.766805       34.14093 12.00635 5.390785 13.87111 5.876668 -1.864758      7.974697 
1 1 1 -8  10 1  o 216.0999 3.156072 5647.680       164.9566 5536.251       229.8142 5766.103       236.9156 213.9026 4.440772 218.2972 4.485833 -4.394638      6.312143 
1 1 1 -8  10 2  o 345.4150 4.521561 14414.63       377.3631 14927.88       551.0958 13961.53       517.8028 351.1911 6.486065 339.6390 6.301508 11.55206       9.043121 
1 1 1 -8  10 3  o 559.9582 7.010369 37957.95       949.2786 38661.53       1367.978 37304.49       1318.362 564.9530 10.00840 554.9634 9.819017 9.989624       14.02074 
1 1 1 -8  10 4  o 522.4870 9.306199 33064.13       1176.387 33064.13       1176.387 0.000000       0.000000 522.4870 9.306199 ?        ?        ?              ?        
1 1 1 -8  10 5  o 926.6084 11.41378 104170.1       2556.373 106828.5       3712.379 101772.8       3525.380 937.7874 16.36235 915.4294 15.91764 22.35797       22.82757 
1 1 1 -8  10 6  o 609.4977 7.597776 45032.91       1120.368 45040.36       1584.008 45025.45       1584.873 609.5486 10.74105 609.4468 10.74871 0.1018066      15.19555 
1 1 1 -8  10 7  f 372.4743 4.827249 16802.09       435.0090 16804.20       615.2119 16799.98       615.1794 372.4977 6.826512 372.4509 6.827009 0.4678345E-01  9.654498 
1 1 1 -8  10 9  o 283.4393 3.839840 9719.652       263.0793 9448.911       362.8227 10019.80       382.0198 279.2872 5.369590 287.5914 5.490447 -8.304169      7.679681 
1 1 1 -8  10 10 o 211.1200 3.096380 5396.872       158.1322 5338.955       221.3173 5457.277       226.0223 209.9642 4.356801 212.2757 4.400973 -2.311432      6.192760 
1 1 1 -8  10 11 o 192.7419 2.935620 4497.261       136.8577 4605.434       196.1904 4394.729       191.0059 194.9979 4.158582 190.4858 4.144593 4.512146       5.871240 
1 1 1 -8  10 12 o 396.1447 5.111589 19065.19       489.8958 19143.21       695.4466 18988.35       690.2176 396.9461 7.241523 395.3433 7.216212 1.602814       10.22318 
1 1 1 -8  10 13 o 126.7379 2.477322 1943.501       75.92131 2003.917       109.5523 1887.673       105.3111 128.6305 3.520265 124.8453 3.486580 3.785141       4.954645 
1 1 1 -8  10 14 o 278.0453 3.798158 9377.208       255.3520 9591.872       368.8073 9179.548       353.8985 281.0900 5.423152 275.0006 5.319157 6.089447       7.596316 
1 1 1 -8  10 15 o 68.60759 2.591266 569.7513       42.97393 597.9960       62.31766 544.1412       59.34024 70.22586 3.667852 66.98931 3.661352 3.236549       5.182532 
1 1 1 -8  10 16 o 146.5693 2.541311 2597.537       89.91586 2755.282       132.6864 2463.583       122.2716 150.6623 3.640152 142.4763 3.547159 8.186050       5.082622 
1 1 1 -8  10 17 o 132.8778 2.470902 2144.248       79.37582 2201.477       114.9730 2092.129       109.7199 134.5631 3.531568 131.1925 3.456799 3.370605       4.941804 
1 1 1 -8  10 18 o 95.25047 3.098220 1169.930       66.19162 1305.646       82.75882 928.9709       110.2737 103.5620 3.303023 86.93896 5.242701 16.62302       6.196440 
1 1 1 -8  10 19 o 14.90487 4.809453 -10.91941      26.47725 -9.350203      28.41941 -21.23736      72.87383 11.51739 5.111696 18.29235 8.148248 -6.774957      9.618907 
1 1 1 -8  10 20 o 72.81052 3.754794 672.0027       64.45602 719.2148       84.27830 605.4730       100.0454 76.22824 4.569803 69.39279 5.959094 6.835449       7.509587 
1 1 1 -8  12 1  o 716.2102 8.880253 62204.01       1538.588 61710.59       2157.199 62714.92       2195.078 713.3283 12.49967 719.0922 12.61721 -5.763855      17.76051 
1 1 1 -8  12 2  o 526.8610 6.631655 33626.05       845.2709 33380.08       1187.763 33878.45       1203.173 524.9111 9.352801 528.8107 9.404281 -3.899597      13.26331 
1 1 1 -8  12 3  o 312.2827 5.901478 11804.35       445.8729 11804.35       445.8729 0.000000       0.000000 312.2827 5.901478 ?        ?        ?              ?        
1 1 1 -8  12 4  o 172.6875 3.443139 3592.499       135.5517 3560.020       165.5630 3658.537       236.0807 171.5225 3.989696 173.8526 5.612767 -2.330078      6.886278 
1 1 1 -8  12 5  o 419.6174 5.386900 21300.62       546.3283 21992.22       794.7051 20680.87       752.2884 426.0589 7.709640 413.1758 7.525704 12.88309       10.77380 
1 1 1 -8  12 6  o 326.1409 5.310075 12759.25       390.3413 13254.02       698.1553 12534.26       470.8026 330.5851 8.729040 321.6968 6.049086 8.888275       10.62015 
1 1 1 -8  12 7  o 165.2467 3.310203 3332.442       125.7064 3221.892       212.5381 3391.921       155.8977 163.0967 5.386284 167.3966 3.849380 -4.299896      6.620407 
1 1 1 -8  12 8  o 237.2663 4.140402 6721.945       221.1085 7094.587       397.9812 6555.571       265.9260 241.8777 6.800870 232.6550 4.724393 9.222672       8.280805 
1 1 1 -8  12 9  o 98.00946 2.449497 1162.887       58.06467 1201.845       82.45506 1124.565       81.78077 99.63869 3.420479 96.38022 3.507203 3.258476       4.898995 
1 1 1 -8  12 10 o 98.85295 2.465365 1174.779       58.66202 1355.960       86.74517 1022.095       79.63178 105.8291 3.387957 91.87679 3.582435 13.95232       4.930729 
1 1 1 -8  12 11 o 241.4534 3.419930 7064.632       199.7479 7146.343       285.6190 6986.410       279.4541 242.8172 4.861894 240.0896 4.810994 2.727570       6.839859 
1 1 1 -8  12 12 o 180.7010 2.866021 3953.337       125.2421 4051.073       180.4311 3862.461       173.9832 182.8529 4.078562 178.5491 4.027609 4.303864       5.732042 
1 1 1 -8  12 13 o 173.2591 2.830364 3631.733       118.5090 3769.583       172.6808 3509.001       162.9372 176.3580 4.047126 170.1603 3.957854 6.197632       5.660728 
1 1 1 -8  12 14 o 155.9176 3.819974 2947.783       144.0980 2947.783       144.0980 0.000000       0.000000 155.9176 3.819974 ?        ?        ?              ?        
1 1 1 -8  12 15 o 112.4965 2.506602 1524.989       67.98981 1690.088       100.9933 1388.144       91.94637 118.0280 3.536760 106.9650 3.552961 11.06295       5.013203 
1 1 1 -8  12 16 o 29.70554 5.134876 114.5111       36.06474 102.7926       58.08980 121.8609       46.00484 28.44337 8.068588 30.96771 6.353401 -2.524336      10.26975 
1 1 1 -8  12 17 o 34.88040 4.372292 150.1846       35.35135 164.0470       56.74543 141.3921       45.19266 35.84058 6.792778 33.92022 5.506896 1.920353       8.744584 
1 1 1 -8  12 18 o 73.47205 2.656662 661.7493       46.65744 644.4348       71.21013 674.7738       61.76123 72.56695 4.056025 74.37715 3.432212 -1.810204      5.313324 
1 1 1 -8  12 19 o 43.46224 3.602965 231.3058       37.19468 249.6572       59.35344 219.4388       47.72898 44.78012 5.478457 42.14436 4.681018 2.635761       7.205930 
1 1 1 -8  12 20 o 23.15186 5.958334 56.36023       35.81321 51.63800       39.64642 77.29923       83.48499 20.41914 6.827900 25.88458 9.766615 -5.465441      11.91667 
1 1 1 -8  14 1  o 515.6680 6.507909 32107.29       808.9984 30630.67       1089.824 33919.63       1207.378 502.5581 8.963298 528.7780 9.437734 -26.21982      13.01582 
1 1 1 -8  14 2  o 232.7996 3.381050 6559.893       190.4008 6504.135       266.5033 6618.025       272.1194 231.7904 4.752310 233.8088 4.810567 -2.018402      6.762100 
1 1 1 -8  14 3  o 317.3636 4.244219 12135.48       324.6116 11512.00       436.3681 12907.99       485.7290 308.2954 5.850373 326.4317 6.150344 -18.13626      8.488439 
1 1 1 -8  14 4  o 290.9362 3.958177 10252.33       278.6059 10301.58       395.1315 10203.64       392.8946 291.6308 5.600231 290.2415 5.595182 1.389282       7.916353 
1 1 1 -8  14 5  o 190.5885 2.997546 4397.599       138.2144 4441.820       196.1416 4353.982       194.7946 191.5404 4.232598 189.6366 4.245732 1.903824       5.995092 
1 1 1 -8  14 6  o 285.4722 3.887062 9874.284       268.4648 9871.481       379.8434 9877.082       379.4900 285.4315 5.500478 285.5130 5.493792 -0.8151245E-01 7.774124 
1 1 1 -8  14 7  o 98.98663 2.540650 1184.479       60.76771 1219.298       88.64748 1153.615       83.46363 100.3556 3.651089 97.61765 3.534000 2.737968       5.081300 
1 1 1 -8  14 8  f 98.00746 2.560633 1164.828       60.60443 1089.318       86.05662 1239.125       85.36282 94.84818 3.750188 101.1667 3.487616 -6.318565      5.121267 
1 1 1 -8  14 9  o 256.6140 3.596126 7967.400       223.0145 8283.684       324.9171 7685.671       306.6549 261.4152 5.137353 251.8128 5.033496 9.602432       7.192252 
1 1 1 -8  14 10 o 246.7805 3.501205 7382.128       209.0283 7430.598       297.5665 7334.913       293.6928 247.5784 4.967855 245.9827 4.934993 1.595779       7.002409 
1 1 1 -8  14 11 f 200.4224 3.072292 4864.107       148.8873 4985.651       215.0839 4752.281       206.3070 202.8210 4.383214 198.0238 4.306200 4.797226       6.144585 
1 1 1 -8  14 12 o 24.32564 5.881733 66.15914       41.60829 66.95514       59.46611 65.39566       58.23909 24.46159 8.361286 24.18968 8.274542 0.2719116      11.76347 
1 1 1 -8  14 13 f 38.15081 4.835147 180.4547       42.67837 255.5179       63.24844 117.7064       57.82783 45.83617 5.703471 30.46545 7.809289 15.37072       9.670294 
1 1 1 -8  14 14 o 220.9524 3.263179 5913.928       174.0455 6239.178       256.8913 5637.960       236.6302 226.5312 4.687260 215.3737 4.541248 11.15752       6.526357 
1 1 1 -8  14 15 o 109.8802 2.600616 1455.573       68.85702 1619.714       102.9011 1322.480       92.65924 115.4439 3.684230 104.3166 3.671412 11.12733       5.201232 
1 1 1 -8  14 16 o 105.6983 3.583410 1360.087       91.63615 0.000000       0.000000 1360.087       91.63615 ?        ?        105.6983 3.583410 ?              ?        
1 1 1 -8  14 17 o 54.21477 3.463229 363.1060       44.68835 350.1234       69.01251 372.4806       58.64371 53.29308 5.352476 55.13646 4.396229 -1.843376      6.926458 
1 1 1 -8  14 18 o 129.3144 3.297466 2092.357       98.79050 2175.731       124.5984 1951.220       162.1140 133.2213 3.865776 125.4075 5.343116 7.813766       6.594931 
1 1 1 -8  14 19 o 63.19291 3.161558 496.9193       47.26275 484.4937       74.55231 505.2688       61.11268 62.36297 4.941195 64.02286 3.945426 -1.659889      6.323117 
1 1 1 -8  14 20 o 24.88695 6.854843 55.15030       63.80365 -9.935753      89.57246 122.1892       90.90628 20.21954 9.018209 29.55437 10.32606 -9.334829      13.70969 
1 1 1 -8  16 1  o 335.3439 4.445665 13629.33       360.6143 13448.54       503.9053 13819.13       516.2916 333.0689 6.253347 337.6188 6.320712 -4.549957      8.891331 
1 1 1 -8  16 2  o 402.2590 5.207935 19633.91       506.8401 19635.56       715.5440 19632.24       718.0227 402.2781 7.352036 402.2398 7.378206 0.3826904E-01  10.41587 
1 1 1 -8  16 3  o 287.2996 3.943010 9867.195       271.5563 10995.51       420.1409 9057.612       355.8853 301.1962 5.765582 273.4029 5.380277 27.79337       7.886021 
1 1 1 -8  16 4  o 492.9880 6.260385 29531.18       746.4630 30006.82       1071.733 29083.04       1040.286 496.8248 8.916223 489.1511 8.790373 7.673676       12.52077 
1 1 1 -8  16 5  o 260.2411 3.654896 8206.702       230.1090 8146.175       323.5425 8268.657       327.3372 259.2712 5.157921 261.2111 5.179662 -1.939850      7.309792 
1 1 1 -8  16 6  o 203.0967 3.111277 4993.770       152.8193 5101.096       219.8649 4893.459       212.5584 205.2048 4.428597 200.9887 4.371237 4.216095       6.222555 
1 1 1 -8  16 7  o 106.6901 2.675647 1376.630       69.01719 1316.929       95.64814 1441.481       99.68719 104.2800 3.791171 109.1003 3.776687 -4.820366      5.351294 
1 1 1 -8  16 8  o 59.80286 3.387005 435.3401       48.71866 487.5144       68.71291 382.5979       69.08578 63.42885 4.477641 56.17686 5.083103 7.251995       6.774009 
1 1 1 -8  16 9  o 177.3366 2.907197 3804.176       124.6290 3981.751       180.6143 3642.777       172.1912 181.2801 4.118125 173.3931 4.104658 7.887085       5.814394 
1 1 1 -8  16 10 o 304.5349 4.126572 11229.26       303.4597 11743.46       446.2294 10786.86       413.9048 310.9845 5.930852 298.0852 5.739283 12.89926       8.253143 
1 1 1 -8  16 11 o 134.1284 2.751260 2181.365       89.25077 2143.159       127.1016 2218.530       125.3558 132.9652 3.951034 135.2916 3.829758 -2.326370      5.502519 
1 1 1 -8  16 12 o 127.3492 2.670307 1963.889       82.20770 2064.490       118.9332 1871.854       113.7579 130.4679 3.767880 124.2305 3.784870 6.237427       5.340614 
1 1 1 -8  16 13 o 152.2142 2.780859 2805.696       102.2423 2948.308       149.9139 2681.677       139.8002 155.8140 3.976793 148.6143 3.888167 7.199768       5.561719 
1 1 1 -8  16 14 o 102.1568 2.746083 1268.523       67.46967 1276.039       101.1910 1262.507       90.52975 102.3999 4.084507 101.9137 3.671607 0.4861755      5.492167 
1 1 1 -8  16 15 f 48.57074 4.156606 291.3707       48.56037 279.0473       71.72589 301.7995       65.98252 47.56776 6.232481 49.57371 5.501424 -2.005951      8.313211 
1 1 1 -8  16 16 o 120.3048 2.670478 1728.362       76.80301 2038.103       120.4057 1515.884       99.72535 129.1690 3.852889 111.4406 3.698791 17.72838       5.340956 
1 1 1 -8  16 17 o 71.29156 3.214383 600.8713       54.17247 750.8953       88.96343 512.4611       68.29401 78.03329 4.712261 64.54984 4.373057 13.48345       6.428766 
1 1 1 -8  16 18 o 20.79899 5.892718 25.44892       43.48848 64.70660       74.85053 5.443829       53.43217 24.43435 9.240920 17.16364 7.314500 7.270706       11.78544 
1 1 1 -8  16 19 f 48.01831 4.453378 290.3060       50.62363 326.7527       82.10843 267.9555       64.29875 50.18021 6.763212 45.85641 5.795624 4.323799       8.906755 
1 1 1 -8  16 20 o 47.99246 6.989933 342.2262       79.94997 430.4581       117.7449 266.7460       108.9045 54.95223 8.856346 41.03269 10.81674 13.91954       13.97987 
1 1 1 -8  18 1  o 198.0983 3.119833 4751.258       149.4680 4653.868       207.8926 4855.468       215.0483 196.0000 4.384102 200.1965 4.439940 -4.196503      6.239665 
1 1 1 -8  18 2  o 198.5856 3.114201 4777.411       149.6192 4816.419       212.3677 4738.966       210.8278 199.3906 4.402319 197.7806 4.405972 1.609940       6.228403 
1 1 1 -8  18 3  o 395.8438 5.148112 19033.27       493.0291 18969.96       696.1457 19096.98       698.3563 395.1833 7.281138 396.5044 7.279922 -1.321167      10.29622 
1 1 1 -8  18 4  o 446.8175 8.098151 24279.34       875.4239 24279.34       875.4239 0.000000       0.000000 446.8175 8.098151 ?        ?        ?              ?        
1 1 1 -8  18 5  o 152.3655 2.848933 2811.911       105.0118 2763.636       147.7661 2861.169       149.2635 151.0436 4.043617 153.6874 4.014330 -2.643723      5.697867 
1 1 1 -8  18 6  o 208.7427 3.194903 5278.539       161.3066 5188.900       224.9276 5373.458       231.4566 206.9210 4.492994 210.5644 4.543415 -3.643356      6.389805 
1 1 1 -8  18 7  o 108.5538 2.789204 1425.711       73.18201 1385.865       100.8276 1470.071       106.3859 106.9551 3.896509 110.1525 3.991972 -3.197350      5.578407 
1 1 1 -8  18 8  o 179.7313 2.983139 3914.584       129.6962 3952.333       185.4406 3878.438       181.4604 180.5772 4.244628 178.8855 4.192805 1.691772       5.966279 
1 1 1 -8  18 9  o 236.1608 3.461999 6766.329       197.7806 6690.142       277.0644 6845.491       282.4205 234.8083 4.877137 237.5132 4.914804 -2.704865      6.923999 
1 1 1 -8  18 10 o 188.1710 3.044605 4282.882       138.3605 4529.150       203.2115 4070.052       188.9126 193.1920 4.347672 183.1500 4.263357 10.04201       6.089210 
1 1 1 -8  18 11 o 76.29347 3.073551 702.1823       56.53936 774.7186       84.09050 642.3355       76.38169 79.86462 4.352014 72.72232 4.341294 7.142303       6.147101 
1 1 1 -8  18 12 o 107.1973 2.835301 1391.829       73.28101 1451.494       109.0823 1342.752       98.92993 109.2692 4.126237 105.1253 3.889716 4.143875       5.670602 
1 1 1 -8  18 13 o 17.36592 5.467385 -22.35331      46.01189 -28.57098      70.20879 -17.67245      60.91720 17.73338 7.941274 16.99846 7.517004 0.7349110      10.93477 
1 1 1 -8  18 14 o 56.82814 3.952421 396.7800       54.30227 409.6564       78.63796 385.0438       75.07582 57.70099 5.633090 55.95528 5.545704 1.745705       7.904842 
1 1 1 -8  18 15 o 47.74606 4.666898 286.7851       51.41151 370.1812       75.45354 214.5159       70.23984 54.70807 5.700671 40.78404 7.390676 13.92402       9.333796 
1 1 1 -8  18 16 o 94.80937 2.987142 1080.272       67.57919 1256.222       106.9344 963.2717       87.19962 101.0399 4.374437 88.57880 4.068951 12.46114       5.974283 
1 1 1 -8  18 17 o 76.79636 3.455529 736.1751       62.93434 719.7523       98.60292 747.4644       81.75195 75.85054 5.373147 77.74219 4.346494 -1.891647      6.911058 
1 1 1 -8  18 18 o 43.59159 5.469327 261.5194       54.25434 222.8789       85.21372 287.8611       70.35753 39.78877 9.055629 47.39442 6.135941 -7.605644      10.93865 
1 1 1 -8  18 19 o 52.45359 4.712990 363.9895       58.16510 372.0703       93.83181 358.9466       74.12482 52.37460 7.405033 52.53257 5.832204 -0.1579704     9.425981 
1 1 1 -8  18 20 o 37.50109 7.841372 259.8827       94.95885 425.9370       129.1466 64.44974       140.1060 50.01175 10.97486 24.99043 11.20272 25.02133       15.68274 
1 1 1 -8  20 1  o 249.5997 3.611424 7555.377       218.0837 7534.724       307.8979 7576.170       308.9385 249.2576 5.105709 249.9418 5.108940 -0.6842041     7.222847 
1 1 1 -8  20 2  o 145.8783 2.881217 2572.776       101.5686 2742.488       147.4369 2419.487       140.1215 150.4482 4.050580 141.3083 4.098591 9.139801       5.762434 
1 1 1 -8  20 3  o 60.91172 3.858088 449.2443       56.10312 356.4467       76.91324 554.7635       82.01595 54.18883 5.866635 67.63462 5.012183 -13.44579      7.716177 
1 1 1 -8  20 4  o 116.2795 2.858931 1637.764       80.41154 1680.923       115.0006 1596.476       112.4795 117.7782 4.035829 114.7809 4.050436 2.997353       5.717862 
1 1 1 -8  20 5  o 268.7385 3.795919 8669.158       245.0200 8009.679       323.6566 9554.505       375.0082 256.9232 5.206895 280.5537 5.524876 -23.63043      7.591838 
1 1 1 -8  20 6  o 168.4421 2.967321 3439.075       120.9092 3516.876       172.3268 3363.639       169.6867 170.3193 4.182025 166.5649 4.210776 3.754425       5.934642 
1 1 1 -8  20 7  o 219.0519 3.340065 5818.317       176.9270 5651.915       245.6153 5997.790       255.0781 215.8023 4.704321 222.3015 4.742731 -6.499176      6.680130 
1 1 1 -8  20 8  o 66.57027 3.640015 538.0955       58.56132 574.7769       84.19630 503.7211       81.50565 68.77098 5.060407 64.36957 5.233652 4.401413       7.280030 
1 1 1 -8  20 9  f 262.5262 3.725145 8376.190       236.3721 8647.541       343.6267 8132.477       325.6578 266.5378 5.328754 258.5145 5.206841 8.023315       7.450290 
1 1 1 -8  20 10 o 155.1715 2.881341 2920.200       108.0469 3056.151       157.4587 2799.222       148.5344 158.5724 4.104279 151.7707 4.045169 6.801636       5.762682 
1 1 1 -8  20 11 o 165.0467 2.914055 3301.417       116.0325 3508.057       172.1830 3129.506       157.0488 169.7388 4.192826 160.3546 4.048096 9.384155       5.828110 
1 1 1 -8  20 12 o 112.1434 3.002877 1514.175       80.91734 1729.469       123.3262 1351.429       107.2246 119.0416 4.282074 105.2451 4.211049 13.79648       6.005755 
1 1 1 -8  20 13 o 65.59842 3.858558 528.5236       60.43055 651.7510       88.42509 420.5340       82.77757 72.84443 5.017378 58.35240 5.863428 14.49203       7.717116 
1 1 1 -8  20 14 o 86.97678 3.266833 924.1792       68.51468 1005.528       102.0672 857.4584       92.43596 90.42495 4.665470 83.52860 4.574077 6.896347       6.533666 
1 1 1 -8  20 15 o 110.0074 2.952903 1454.498       77.27147 1676.293       123.7619 1312.801       98.92141 116.6264 4.386194 103.3884 3.954725 13.23800       5.905806 
1 1 1 -8  20 16 o 114.2737 3.001271 1601.423       82.55371 1756.892       124.6831 1480.067       110.1585 119.1198 4.326349 109.4276 4.160914 9.692146       6.002541 
1 1 1 -8  20 17 o 38.47300 6.220785 213.2974       58.25633 153.7089       88.45411 258.9444       77.41821 32.54797 10.14132 44.39802 7.207377 -11.85004      12.44157 
1 1 1 -8  20 18 o 49.60626 5.780404 349.7881       66.45903 306.4274       98.48654 386.0409       90.05316 45.59501 9.244443 53.61751 6.942086 -8.022503      11.56081 
1 1 1 -8  20 19 o 30.21899 8.636757 149.8103       99.98710 56.53778       129.3731 288.1618       157.5647 24.22010 10.81773 36.21788 13.46667 -11.99778      17.27351 
1 1 1 -8  22 1  o 25.72455 6.567141 59.87679       54.65747 18.06994       75.75276 105.2761       78.94042 21.72179 8.942474 29.72730 9.619850 -8.005512      13.13428 
1 1 1 -8  22 2  o 379.6083 4.997720 17564.25       458.9117 17360.26       641.5688 17777.96       656.6935 377.3690 7.027078 381.8477 7.108374 -4.478760      9.995440 
1 1 1 -8  22 3  o 189.9343 3.132949 4378.003       143.9575 4361.217       202.3536 4395.205       204.8426 189.5683 4.412076 190.3004 4.449163 -0.7320557     6.265897 
1 1 1 -8  22 4  o 328.1559 4.419996 13111.82       350.7664 12876.82       487.4939 13364.10       505.0911 325.1285 6.197433 331.1833 6.303751 -6.054718      8.839992 
1 1 1 -8  22 5  o 94.50330 3.101186 1084.550       70.41979 1259.456       101.5545 922.5614       97.73264 101.8638 4.120756 87.14277 4.635600 14.72105       6.202372 
1 1 1 -8  22 6  o 181.7005 3.059606 3985.110       134.0306 4327.433       199.9902 3705.990       180.5872 188.7296 4.379924 174.6715 4.273292 14.05811       6.119212 
1 1 1 -8  22 7  o 25.81114 5.797688 52.16789       53.74771 -87.23636      82.38241 155.4795       70.92039 16.78180 7.896404 34.84048 8.491143 -18.05868      11.59538 
1 1 1 -8  22 8  f 33.03355 6.293794 142.1974       53.24991 91.08121       79.24977 184.2711       71.89919 28.12588 9.651770 37.94123 8.080268 -9.815351      12.58759 
1 1 1 -8  22 9  f 141.9153 2.886281 2446.646       98.94749 2557.692       144.9203 2349.672       135.4273 144.9125 4.133528 138.9181 4.029444 5.994415       5.772562 
1 1 1 -8  22 10 o 139.4211 2.916917 2346.143       97.78360 2599.918       148.7366 2152.965       129.7695 145.9666 4.211744 132.8757 4.036686 13.09096       5.833834 
1 1 1 -8  22 11 o 130.6846 2.964496 2087.041       93.57748 2098.397       136.4362 2076.953       128.5892 130.9831 4.305386 130.3861 4.076347 0.5969849      5.928992 
1 1 1 -8  22 12 o 47.61997 4.789261 281.0517       54.94883 312.9804       82.20705 255.2655       73.87740 50.04068 6.790215 45.19926 6.755818 4.841415       9.578523 
1 1 1 -8  22 13 o 35.78980 6.630074 173.3109       58.21416 159.7990       83.40883 186.1441       81.28668 34.39291 9.637731 37.18669 9.107451 -2.793777      13.26015 
1 1 1 -8  22 14 o 14.77550 5.089869 -146.8103      54.63753 -57.90166      88.15887 -202.2585      69.62061 18.23868 8.442816 11.31233 5.687346 6.926352       10.17974 
1 1 1 -8  22 15 o 113.3756 3.137119 1588.360       85.71574 1796.736       126.3461 1410.674       116.6718 120.2883 4.341465 106.4629 4.529653 13.82537       6.274239 
1 1 1 -8  22 16 o 24.36379 6.629711 45.57359       61.96933 133.1587       88.45649 -38.84264      86.84157 30.30860 10.19851 18.41898 8.473649 11.88963       13.25942 
1 1 1 -8  22 17 o 47.89742 6.187800 329.1258       69.87493 385.3520       105.5713 285.2917       93.21442 52.04030 8.385017 43.75454 9.102032 8.285763       12.37560 
1 1 1 -8  24 1  o 82.76405 3.390508 835.9791       67.72458 893.6332       95.12911 776.7271       96.43834 85.68702 4.588768 79.84107 4.992534 5.845947       6.781016 
1 1 1 -8  24 2  o 148.2688 2.888841 2670.091       103.5784 2572.566       144.0360 2774.534       149.0570 145.4664 4.092666 151.0713 4.078198 -5.604904      5.777682 
1 1 1 -8  24 3  o 155.8955 2.946665 2956.425       111.1109 2938.558       158.6541 2973.624       155.6579 155.4225 4.219247 156.3685 4.114523 -0.9459991     5.893331 
1 1 1 -8  24 4  o 68.10155 3.667505 563.0994       60.23791 627.6285       88.73220 507.9375       82.03942 71.70918 5.114512 64.49393 5.257768 7.215240       7.335009 
1 1 1 -8  24 5  o 98.52533 3.074301 1180.040       73.19601 1242.807       106.6549 1124.158       100.6366 100.9935 4.365010 96.05719 4.330359 4.936279       6.148603 
1 1 1 -8  24 6  o 20.22461 5.898678 -5.669448      51.86808 -79.10050      75.72859 59.21806       71.18698 16.06409 7.562371 24.38513 9.054730 -8.321049      11.79736 
1 1 1 -8  24 7  o 104.8592 3.090245 1344.496       77.78080 1327.115       117.1627 1358.192       104.0062 104.1883 4.648019 105.5301 4.073620 -1.341766      6.180490 
1 1 1 -8  24 8  o 117.9875 3.021432 1691.391       85.99400 1854.816       127.4038 1554.630       116.5478 123.1912 4.274648 112.7837 4.271251 10.40750       6.042863 
1 1 1 -8  24 9  o 65.92883 4.018327 536.2044       63.91199 544.9280       94.31710 528.7977       86.90731 66.37798 5.873055 65.47969 5.485894 0.8982925      8.036654 
1 1 1 -8  24 10 o 64.93561 4.238986 528.4252       65.68924 492.0329       99.31570 556.7274       87.58366 62.76732 6.540064 67.10389 5.394773 -4.336571      8.477972 
1 1 1 -8  24 11 o 29.08101 6.936383 107.5052       57.65711 103.6446       87.26814 110.4959       76.80860 28.94584 10.11710 29.21618 9.491996 -0.2703438     13.87277 
1 1 1 -8  24 12 o 92.90221 3.384637 1067.058       75.83089 1193.033       110.2456 953.9376       104.4695 98.15860 4.642273 87.64581 4.926701 10.51279       6.769274 
1 1 1 -8  24 13 o 42.00602 6.110944 229.6007       62.59491 391.6496       96.69280 112.7008       82.12554 54.99364 7.267405 29.01841 9.826464 25.97523       12.22189 
1 1 1 -8  24 14 o 65.27116 4.441147 550.8182       69.88981 510.2299       99.98690 589.5948       97.72997 62.70948 6.590337 67.83286 5.955050 -5.123379      8.882295 
1 1 1 -8  24 15 o 103.9313 4.929617 1375.775       123.9543 0.000000       0.000000 1375.775       123.9543 ?        ?        103.9313 4.929617 ?              ?        
1 1 1 -8  24 16 o 69.78961 4.446617 657.8013       75.01488 669.4857       104.7129 645.4827       107.5168 70.60713 6.129842 68.97209 6.443185 1.635040       8.893233 
1 1 1 -8  26 1  o 103.0858 3.129552 1293.580       77.84899 1379.964       115.2945 1221.193       105.5411 106.2197 4.486432 99.95191 4.364437 6.267822       6.259104 
1 1 1 -8  26 2  o 43.50743 5.655838 243.8069       57.29417 242.3074       79.30983 245.4436       82.85903 43.41181 7.839715 43.60306 8.154317 -0.1912460     11.31168 
1 1 1 -8  26 3  o 23.55912 6.678597 37.27255       57.58267 53.02016       87.44250 25.21477       76.51542 25.15517 9.862399 21.96307 9.008204 3.192095       13.35719 
1 1 1 -8  26 4  o 46.68766 5.379234 270.7958       60.32231 290.7641       92.10614 255.7981       79.82344 48.11772 7.911907 45.25759 7.290154 2.860130       10.75847 
1 1 1 -8  26 5  o 72.10630 3.920297 632.7687       67.78623 763.8470       102.1879 529.7652       90.58575 78.72911 5.364900 65.48349 5.717758 13.24562       7.840594 
1 1 1 -8  26 6  o 91.65599 3.318321 1017.454       73.05243 1190.128       110.9427 885.2744       97.06581 98.43452 4.658533 84.87746 4.726848 13.55706       6.636642 
1 1 1 -8  26 7  o 29.10282 7.291554 99.56334       63.81186 118.6983       97.63564 85.29486       84.31077 30.89013 10.70657 27.31550 9.901338 3.574629       14.58311 
1 1 1 -8  26 8  o 96.56842 4.650014 1149.767       108.6405 0.000000       0.000000 1149.767       108.6405 ?        ?        96.56842 4.650014 ?              ?        
1 1 1 -8  26 9  o 80.76142 3.728940 796.3130       72.16287 957.2131       110.7494 677.5978       95.12969 87.74291 5.217072 73.77993 5.329366 13.96298       7.457880 
1 1 1 -8  26 10 o 34.45342 6.343566 165.7215       61.10365 48.22215       90.39439 264.5842       82.91631 24.32995 9.862125 44.57689 7.981342 -20.24693      12.68713 
1 1 1 -8  26 11 o 42.98072 6.087257 252.4731       62.44341 380.1124       91.47409 141.0918       85.45000 54.23922 6.970797 31.72222 9.981321 22.51699       12.17451 
1 1 1 -8  26 12 o 29.12469 7.278048 116.6070       64.32897 135.9885       92.03118 98.09052       89.95418 30.79194 10.40233 27.45744 10.18191 3.334501       14.55610 
1 1 1 -8  26 13 f 37.87494 6.333654 212.2537       68.14532 360.0029       95.30825 57.71887       97.47227 51.43258 7.659314 24.31730 10.08938 27.11527       12.66731 
1 1 1 -8  26 14 o 16.24366 5.582359 -117.9149      69.30501 -107.5434      94.03391 -130.2481      102.5420 16.13096 7.812887 16.35637 7.975572 -0.2254047     11.16472 
1 1 1 -8  28 1  o 30.97693 7.095935 122.2675       62.06691 163.8362       90.13816 84.78779       85.59007 34.75123 10.11131 27.20263 9.958447 7.548605       14.19187 
1 1 1 -8  28 2  o 85.22543 3.640455 903.2313       74.70139 856.4714       109.2856 944.2391       102.3433 83.02996 5.440336 87.42090 4.838844 -4.390938      7.280911 
1 1 1 -8  28 3  o 87.40358 3.568695 934.1815       74.88393 1111.519       112.7557 794.2429       100.1629 94.78197 4.917117 80.02518 5.173423 14.75678       7.137390 
1 1 1 -8  28 4  o 75.80499 3.933430 716.4788       71.73673 716.4667       107.1700 716.4886       96.55965 75.68351 5.852883 75.92647 5.256543 -0.2429581     7.866860 
1 1 1 -8  28 5  o 55.57816 4.960757 388.7884       66.25990 432.2770       101.0963 356.0390       87.73007 58.20710 7.178886 52.94923 6.848359 5.257877       9.921514 
1 1 1 -8  28 6  o 72.55458 4.287970 670.7018       74.35379 598.7259       109.7984 731.6649       101.0498 68.64265 6.611498 76.46651 5.462128 -7.823860      8.575940 
1 1 1 -8  28 7  o 88.56286 3.616081 979.1128       77.40166 1007.338       112.5563 953.7910       106.6105 89.73244 5.184630 87.39327 5.042198 2.339172       7.232161 
1 1 1 -8  28 8  o 34.21891 6.947681 157.8308       69.55652 272.7477       98.57173 43.86006       98.16508 44.06996 9.522979 24.36787 10.11899 19.70209       13.89536 
1 1 1 -8  28 9  o 28.66346 7.345405 107.9440       67.02269 142.7995       94.48840 72.64818       95.08321 31.50718 10.54080 25.81974 10.23286 5.687437       14.69081 
1 1 1 -8  28 10 f 21.10280 6.432932 -12.23888      65.41966 77.22122       92.24576 -102.7604      92.79140 25.60854 10.10122 16.59706 7.968427 9.011484       12.86586 
1 1 1 -8  28 11 o 23.86592 7.046855 51.51310       70.21706 91.04849       93.49932 0.3738534      106.3390 26.13958 10.21204 21.59227 9.713238 4.547310       14.09371 
1 1 1 -8  28 12 o 66.91878 7.465343 712.1490       119.8494 670.0773       158.2665 768.7091       183.5057 65.48258 9.989897 68.35497 11.09627 -2.872383      14.93069 
1 1 1 -7  1  5  o 382.6713 4.927464 17727.22       456.0156 17421.36       634.1945 18054.65       656.1740 379.2593 6.911685 386.0832 7.024828 -6.823883      9.854928 
1 1 1 -7  1  6  o 680.3395 16.99565 56311.72       2797.472 56311.72       2797.472 0.000000       0.000000 680.3395 16.99565 ?        ?        ?              ?        
1 1 1 -7  1  8  o 269.2111 5.315824 8760.513       345.8542 9044.616       503.5680 8506.842       475.8330 273.3337 7.614872 265.0884 7.419277 8.245331       10.63165 
1 1 1 -7  3  1  o 575.3892 10.19300 40285.29       1417.907 41237.36       2053.033 39417.02       1960.605 581.8372 14.58452 568.9411 14.24362 12.89606       20.38600 
1 1 1 -7  3  2  o 408.7621 5.219127 20229.08       515.7836 20721.86       746.4759 19778.89       713.4976 413.5134 7.461462 404.0107 7.299571 9.502686       10.43825 
1 1 1 -7  3  4  o 445.4170 5.649136 24038.29       608.6909 23806.03       852.7107 24279.60       869.1630 443.2272 7.951938 447.6068 8.026058 -4.379517      11.29827 
1 1 1 -7  3  5  o 499.1264 6.277802 30190.31       758.0729 30308.29       1076.366 30074.20       1067.839 500.0921 8.896261 498.1607 8.860008 1.931396       12.55560 
1 1 1 -7  3  6  o 344.2691 4.478396 14347.22       373.0096 14375.87       528.6833 14318.81       526.3547 344.6111 6.341092 343.9271 6.325717 0.6840210      8.956793 
1 1 1 -7  3  7  o 595.3098 7.421178 42932.57       1068.820 43129.73       1518.729 42739.09       1504.453 596.6617 10.52082 593.9578 10.46937 2.703918       14.84236 
1 1 1 -7  3  8  o 302.3524 4.022318 11061.89       294.2016 11164.93       419.8184 10962.45       412.4082 303.7352 5.712998 300.9696 5.663728 2.765564       8.044636 
1 1 1 -7  3  9  o 379.9205 4.904776 17472.95       450.7983 17593.90       642.2092 17355.46       632.9420 381.2154 6.963120 378.6257 6.909578 2.589630       9.809552 
1 1 1 -7  3  10 f 350.1670 5.322304 14533.14       380.5965 14265.19       432.3799 15455.09       802.0399 343.2847 5.206055 357.0493 9.284648 -13.76468      10.64461 
1 1 1 -7  3  11 o 364.3742 6.693877 16120.07       590.0737 16228.44       839.5671 16014.28       829.5045 365.5806 9.492267 363.1678 9.440807 2.412811       13.38775 
1 1 1 -7  3  12 o 133.4362 3.260050 2144.299       104.9234 2000.000       141.8079 2318.858       155.9692 128.5054 4.561172 138.3670 4.659121 -9.861542      6.520100 
1 1 1 -7  3  13 o 88.29338 2.820023 943.6913       60.20180 933.0161       83.47012 955.2648       86.91045 87.77464 3.930608 88.81213 4.044804 -1.037491      5.640046 
1 1 1 -7  3  14 o 145.3261 3.412605 2527.091       119.1688 2277.216       157.7721 2859.012       181.8391 137.0728 4.757477 153.5794 4.893864 -16.50664      6.825210 
1 1 1 -7  5  1  o 482.2815 7.496458 27966.06       813.6756 27522.24       980.6111 28947.06       1457.900 476.4792 8.506494 488.0838 12.34614 -11.60461      14.99292 
1 1 1 -7  5  2  o 196.3095 2.895903 4660.758       137.4849 4781.617       197.8703 4547.948       191.1689 198.7679 4.114644 193.8512 4.076116 4.916672       5.791805 
1 1 1 -7  5  3  o 593.4485 7.406490 42718.38       1063.200 42226.81       1486.180 43233.67       1521.629 589.9629 10.41225 596.9341 10.53610 -6.971191      14.81298 
1 1 1 -7  5  4  o 90.17181 2.913094 983.7799       63.55176 983.7799       63.55176 0.000000       0.000000 90.17181 2.913094 ?        ?        ?              ?        
1 1 1 -7  5  5  o 375.4310 4.839792 17050.63       439.3209 17447.73       635.1620 16686.41       608.2956 379.6150 6.915743 371.2471 6.772505 8.367920       9.679584 
1 1 1 -7  5  6  o 497.4491 6.260011 29948.75       753.0201 29397.43       1045.098 30544.00       1085.938 492.6964 8.767494 502.2018 8.937672 -9.505463      12.52002 
1 1 1 -7  5  7  o 741.2524 9.162663 66562.83       1642.188 67965.00       2372.920 65274.01       2274.983 748.7208 13.09969 733.7841 12.81467 14.93671       18.32533 
1 1 1 -7  5  8  o 1027.427 15.65035 126910.2       3593.381 133135.0       6539.791 124218.0       4300.786 1043.852 25.89541 1011.003 17.58301 32.84875       31.30070 
1 1 1 -7  5  9  o 236.3707 3.309408 6761.043       189.2469 6801.745       269.1056 6721.219       266.1893 237.0742 4.691763 235.6671 4.668629 1.407074       6.618817 
1 1 1 -7  5  10 f 251.6725 3.477641 7667.960       211.7496 7680.750       299.6432 7655.202       299.2755 251.8822 4.917049 251.4629 4.919206 0.4192963      6.955283 
1 1 1 -7  5  11 o 373.2420 4.828643 16884.67       435.9292 17116.92       624.7308 16664.27       608.5803 375.7374 6.872365 370.7466 6.784821 4.990753       9.657287 
1 1 1 -7  5  12 o 319.2446 4.216766 12345.69       325.5000 12645.66       470.2185 12069.69       451.0337 322.9585 6.017979 315.5307 5.908334 7.427795       8.433533 
1 1 1 -7  5  13 o 230.5745 3.750117 6571.586       184.8559 6722.883       217.0876 6172.517       352.5691 235.6154 3.808280 225.5335 6.461463 10.08197       7.500234 
1 1 1 -7  5  14 o 172.6408 3.122064 3721.783       115.0551 3855.727       135.4850 3375.372       217.8843 178.4547 3.138057 166.8268 5.398309 11.62785       6.244129 
1 1 1 -7  5  15 o 172.6070 3.806763 3606.814       158.7121 3471.743       217.0428 3762.046       232.6777 169.1502 5.303598 176.0639 5.462382 -6.913742      7.613525 
1 1 1 -7  5  16 o 140.7573 3.392392 2402.752       115.4225 2347.412       159.2410 2464.010       167.5390 139.0582 4.733211 142.4563 4.861072 -3.398056      6.784785 
1 1 1 -7  5  17 o 56.01997 2.828382 373.4784       37.92246 311.8382       49.96574 457.2278       58.24131 50.67257 4.075653 61.36736 3.922757 -10.69479      5.656763 
1 1 1 -7  7  1  o 340.7469 4.461129 14032.20       367.3027 13573.30       504.1740 14551.24       536.1924 334.8251 6.223864 346.6689 6.392982 -11.84378      8.922258 
1 1 1 -7  7  2  o 656.8243 8.158916 52293.28       1295.670 53471.63       1873.977 51214.10       1793.387 663.8863 11.66724 649.7623 11.40820 14.12402       16.31783 
1 1 1 -7  7  3  o 373.1765 4.821441 16859.95       435.2812 16977.05       619.5104 16745.77       611.7245 374.4552 6.838274 371.8978 6.798764 2.557434       9.642882 
1 1 1 -7  7  4  o 357.7278 4.651027 15490.33       402.5177 15583.60       572.4863 15399.14       566.0600 358.7920 6.595079 356.6635 6.559965 2.128540       9.302054 
1 1 1 -7  7  5  o 499.3988 6.285594 30197.96       759.3566 29932.77       1064.197 30473.04       1083.858 497.1680 8.847419 501.6296 8.930729 -4.461609      12.57119 
1 1 1 -7  7  6  f 982.6863 14.79685 117871.7       3334.010 116264.1       5690.563 118711.9       4114.056 976.6581 24.08299 988.7144 17.19876 -12.05621      29.59371 
1 1 1 -7  7  7  o 1115.573 19.50056 152179.2       5261.913 154193.9       7541.266 150267.7       7345.531 1122.683 27.76418 1108.463 27.39048 14.21985       39.00113 
1 1 1 -7  7  8  o 531.4227 6.663204 34174.74       855.8391 35132.99       1244.252 33314.27       1179.056 538.4725 9.550860 524.3728 9.293774 14.09973       13.32641 
1 1 1 -7  7  10 o 365.2733 4.736595 16165.13       418.4741 15936.63       583.6454 16406.88       600.3306 362.6225 6.652608 367.9241 6.744192 -5.301636      9.473190 
1 1 1 -7  7  11 o 320.8984 4.238108 12479.57       328.9919 12622.98       469.9148 12341.71       460.7502 322.7035 6.018844 319.0934 5.968228 3.610138       8.476215 
1 1 1 -7  7  12 o 152.5408 3.610400 2817.333       133.2428 0.000000       0.000000 2817.333       133.2428 ?        ?        152.5408 3.610400 ?              ?        
1 1 1 -7  7  13 o 103.1891 2.278986 1288.802       56.88689 1318.575       81.18895 1260.088       79.73128 104.3597 3.215598 102.0186 3.230332 2.341125       4.557973 
1 1 1 -7  7  14 o 121.9290 2.341026 1799.007       69.03329 1857.098       99.17336 1744.401       96.15233 123.8372 3.310105 120.0208 3.311318 3.816338       4.682053 
1 1 1 -7  7  15 o 119.8798 2.813190 1814.256       69.56770 1886.761       80.60809 1602.618       137.7191 124.8333 2.668983 114.9263 4.953048 9.907059       5.626380 
1 1 1 -7  7  16 o 184.5990 3.277577 4182.502       126.6822 4227.213       146.6682 4051.160       251.3793 186.7508 3.246169 182.4473 5.694949 4.303467       6.555155 
1 1 1 -7  7  17 o 137.7294 2.991072 2322.661       93.39628 2353.906       114.1444 2259.369       162.4587 139.2665 3.387707 136.1923 4.930467 3.074203       5.982145 
1 1 1 -7  7  18 o 129.3550 3.333084 2043.006       104.2308 2009.518       144.1348 2079.715       150.9075 128.2633 4.644767 130.4467 4.781625 -2.183350      6.666169 
1 1 1 -7  7  19 o 59.36437 3.133987 428.1739       44.67315 404.8781       59.04245 459.3694       68.32364 57.52192 4.242567 61.20683 4.613906 -3.684917      6.267974 
1 1 1 -7  7  20 o 22.47861 4.529745 64.17028       25.80322 55.58596       34.65636 74.84830       38.65232 20.94038 6.315251 24.01684 6.495533 -3.076460      9.059490 
1 1 1 -7  9  1  f 577.4738 7.223674 40377.09       1008.727 41126.73       1454.489 39682.39       1400.173 582.6260 10.31854 572.3215 10.11205 10.30457       14.44735 
1 1 1 -7  9  2  o 286.8003 3.872226 9953.996       268.6754 9910.157       378.1142 9998.704       381.8422 286.1628 5.461443 287.4377 5.490827 -1.274933      7.744452 
1 1 1 -7  9  3  o 382.2291 4.934488 17667.12       455.9677 17259.35       630.0874 18115.45       660.6707 377.6061 6.896988 386.8520 7.058913 -9.245911      9.868977 
1 1 1 -7  9  4  o 416.7403 5.334870 21023.91       537.8787 21119.56       763.3781 20929.60       758.0011 417.6812 7.554269 415.7993 7.535009 1.881897       10.66974 
1 1 1 -7  9  5  o 112.8517 3.326709 1540.831       90.82914 0.000000       0.000000 1540.831       90.82914 ?        ?        112.8517 3.326709 ?              ?        
1 1 1 -7  9  6  o 62.31242 3.578337 469.7943       53.94588 0.000000       0.000000 469.7943       53.94588 ?        ?        62.31242 3.578337 ?              ?        
1 1 1 -7  9  7  o 292.1550 3.925780 10330.90       277.4820 10369.09       393.7606 10293.21       391.0906 292.6912 5.560581 291.6188 5.543188 1.072388       7.851560 
1 1 1 -7  9  8  o 278.0662 3.779537 9360.782       254.2652 9359.567       359.0143 9362.005       360.1591 278.0484 5.336900 278.0840 5.353233 -0.3552246E-01 7.559074 
1 1 1 -7  9  9  o 731.5989 9.090956 65079.51       1606.895 63230.04       2204.219 67177.30       2347.532 720.6057 12.64313 742.5922 13.06649 -21.98645      18.18191 
1 1 1 -7  9  10 f 379.6237 4.910133 17478.57       450.9710 17491.34       637.5546 17465.79       637.9844 379.7632 6.939085 379.4843 6.948866 0.2788696      9.820267 
1 1 1 -7  9  11 o 52.17887 2.811192 333.6503       35.05688 378.0537       48.39934 284.6422       50.84700 55.87995 3.579984 48.47779 4.335310 7.402161       5.622384 
1 1 1 -7  9  12 o 44.71842 3.064085 241.7391       33.07857 265.3303       47.90245 220.2361       45.73323 46.80092 4.230590 42.63592 4.433573 4.165005       6.128170 
1 1 1 -7  9  13 o 242.6308 3.422350 7115.485       200.5158 7471.105       294.8799 6809.623       273.4728 248.2457 4.909769 237.0160 4.769076 11.22974       6.844700 
1 1 1 -7  9  14 o 186.4042 2.874825 4204.438       129.5282 4357.847       188.2211 4066.428       178.5245 189.6261 4.102681 183.1822 4.028211 6.443970       5.749650 
1 1 1 -7  9  15 o 54.06152 2.747546 352.9609       35.84484 373.7702       53.05894 335.4904       48.61640 55.51937 3.950133 52.60366 3.820010 2.915707       5.495091 
1 1 1 -7  9  16 o 82.13513 2.327170 812.3991       46.03093 930.5847       68.07829 712.8617       62.47694 87.60465 3.212027 76.66562 3.368347 10.93903       4.654339 
1 1 1 -7  9  17 o 68.55686 3.412802 617.1156       50.26176 684.7714       60.81997 471.3861       89.26219 75.08567 3.348011 62.02805 5.948083 13.05762       6.825604 
1 1 1 -7  9  18 o 27.94809 4.853299 102.2012       26.60138 105.5650       29.07121 84.88995       65.94985 29.40907 4.085822 26.48710 8.804777 2.921968       9.706598 
1 1 1 -7  9  19 o 70.28189 3.145135 626.0338       46.68489 648.9752       54.71943 564.6639       89.49715 72.98640 3.098827 67.57738 5.474010 5.409019       6.290271 
1 1 1 -7  9  20 o 49.86381 4.237247 308.3366       49.10919 299.1077       61.11010 325.1636       82.51633 49.05657 5.148889 50.67105 6.730971 -1.614479      8.474493 
1 1 1 -7  9  21 o 34.33556 6.840849 156.6924       54.83159 156.6924       54.83159 0.000000       0.000000 34.33556 6.840849 ?        ?        ?              ?        
1 1 1 -7  11 1  o 460.7195 5.868977 25683.12       653.8162 26230.14       943.9854 25178.75       906.4291 465.4268 8.383232 456.0123 8.215898 9.414551       11.73795 
1 1 1 -7  11 2  o 278.6474 3.807660 9395.511       256.6745 9465.102       365.7048 9327.947       360.3399 279.6638 5.404955 277.6310 5.364658 2.032776       7.615320 
1 1 1 -7  11 3  o 611.2538 7.620030 45205.69       1125.476 43955.19       1545.827 46616.34       1641.834 602.2884 10.60850 620.2193 10.94162 -17.93091      15.24006 
1 1 1 -7  11 4  o 457.1519 5.808101 25286.00       641.9534 25883.55       928.7014 24739.23       888.3600 462.3141 8.303030 451.9897 8.123781 10.32443       11.61620 
1 1 1 -7  11 5  o 177.5870 3.997545 3816.119       171.7540 0.000000       0.000000 3816.119       171.7540 ?        ?        177.5870 3.997545 ?              ?        
1 1 1 -7  11 6  o 401.4563 5.161683 19520.00       501.3292 19602.12       711.7570 19439.15       706.2482 402.2933 7.312849 400.6193 7.286571 1.674042       10.32337 
1 1 1 -7  11 7  o 380.2784 4.923903 17496.68       452.5325 17011.49       622.8052 18039.34       658.6536 374.7095 6.869975 385.8472 7.055690 -11.13763      9.847807 
1 1 1 -7  11 8  o 275.8584 7.544780 9229.030       503.5414 0.000000       0.000000 9229.030       503.5414 ?        ?        275.8584 7.544780 ?              ?        
1 1 1 -7  11 9  f 336.3702 5.429817 13696.03       415.4669 13837.00       725.1148 13627.13       506.9276 337.4700 8.881152 335.2704 6.249544 2.199585       10.85963 
1 1 1 -7  11 10 o 364.8923 5.816145 16216.87       485.8379 16061.87       832.9471 16296.79       598.1206 363.2993 9.476556 366.4853 6.745745 -3.185944      11.63229 
1 1 1 -7  11 11 o 228.2107 4.015589 6378.734       211.5174 6533.940       264.1081 6101.130       353.2164 232.2098 4.701094 224.2116 6.511492 7.998230       8.031178 
1 1 1 -7  11 12 o 449.1908 7.074399 24441.97       717.0687 24125.07       867.0274 25127.90       1275.607 445.3103 8.047626 453.0713 11.63719 -7.761017      14.14880 
1 1 1 -7  11 13 o 40.91643 4.265420 202.6470       41.79597 198.9004       55.07866 207.7335       64.17558 40.48214 5.623641 41.35072 6.414819 -0.8685837     8.530841 
1 1 1 -7  11 14 o 181.9397 2.881799 4000.344       126.6115 4229.833       186.1822 3802.912       172.6896 186.7733 4.120225 177.1060 4.030237 9.667282       5.763598 
1 1 1 -7  11 15 f 65.39194 2.827711 516.2872       44.52260 593.0556       65.35620 449.8111       60.81745 69.91139 3.863995 60.87249 4.129570 9.038902       5.655423 
1 1 1 -7  11 16 o 98.73708 2.918019 1195.645       67.85663 1232.669       87.32091 1139.203       107.8145 100.7467 3.582492 96.72747 4.607070 4.019203       5.836039 
1 1 1 -7  11 17 o 132.2548 3.015068 2167.795       93.70676 2295.979       121.2131 1977.394       147.7291 137.3409 3.647937 127.1687 4.801573 10.17216       6.030137 
1 1 1 -7  11 18 o 73.50481 3.314908 639.7876       51.51342 711.1244       103.9858 616.5872       59.30138 75.88848 5.663645 71.12112 3.446386 4.767357       6.629815 
1 1 1 -7  11 19 o 45.53153 5.003773 274.6563       39.18688 279.4030       43.07612 251.8739       94.37185 47.76575 3.727500 43.29731 9.287450 4.468441       10.00755 
1 1 1 -7  11 20 o 42.24009 5.233613 252.3459       35.91629 260.4597       38.99869 207.0196       92.17486 46.05574 3.499967 38.42444 9.864738 7.631302       10.46723 
1 1 1 -7  13 1  o 647.8422 8.064695 50707.97       1260.112 53282.26       1872.868 48578.70       1703.311 662.7665 11.68004 632.9178 11.12357 29.84863       16.12939 
1 1 1 -7  13 2  o 327.8413 4.349605 13012.15       344.9964 13039.85       488.6133 12984.62       487.1870 328.1891 6.153734 327.4935 6.148805 0.6956482      8.699209 
1 1 1 -7  13 3  o 573.6980 7.183022 39878.99       996.2933 39040.91       1378.234 40796.23       1441.862 567.4070 10.03982 579.9889 10.27547 -12.58185      14.36604 
1 1 1 -7  13 4  o 654.7666 8.155543 51911.04       1288.880 49999.35       1751.850 54166.89       1903.024 641.7173 11.28368 667.8159 11.77837 -26.09857      16.31109 
1 1 1 -7  13 5  o 170.5336 2.818855 3520.271       116.2916 3558.084       164.0444 3482.070       164.8812 171.4551 3.954656 169.6122 4.018017 1.842896       5.637709 
1 1 1 -7  13 6  o 454.0414 5.783671 25008.75       635.2800 25224.77       905.5354 24799.40       891.4730 455.9670 8.208611 452.1157 8.149975 3.851257       11.56734 
1 1 1 -7  13 7  o 368.3012 4.791818 16446.40       426.9436 16314.79       599.1815 16582.14       608.5052 366.8078 6.751768 369.7946 6.801448 -2.986786      9.583635 
1 1 1 -7  13 8  o 257.1275 5.069901 8010.315       315.3917 0.000000       0.000000 8010.315       315.3917 ?        ?        257.1275 5.069901 ?              ?        
1 1 1 -7  13 9  o 79.80383 2.618634 770.3024       50.51108 752.8595       69.64018 789.6651       73.37281 78.85271 3.650405 80.75495 3.755465 -1.902245      5.237267 
1 1 1 -7  13 10 o 420.5748 5.399624 21495.87       549.4089 21390.53       773.3204 21603.22       780.6951 419.5389 7.618771 421.6106 7.653633 -2.071686      10.79925 
1 1 1 -7  13 11 o 316.5465 4.224214 12160.08       323.5042 12191.46       458.9167 12129.08       456.1043 316.9507 5.984665 316.1424 5.963197 0.8082886      8.448428 
1 1 1 -7  13 12 o 171.5125 2.834095 3554.770       117.4217 3743.415       171.9632 3389.975       160.7247 175.7615 4.043983 167.2635 3.971723 8.497971       5.668190 
1 1 1 -7  13 13 o 212.9091 3.175835 5494.002       163.5034 5638.275       235.9492 5360.724       226.7808 215.5916 4.523601 210.2266 4.458784 5.365021       6.351671 
1 1 1 -7  13 14 o 160.1098 2.757487 3090.677       106.4378 3349.335       158.8918 2880.127       143.3557 166.1417 3.952942 154.0780 3.845671 12.06367       5.514974 
1 1 1 -7  13 15 o 60.68668 4.139805 450.3090       56.31923 451.0607       67.96400 448.6615       100.6153 60.87888 4.614344 60.49450 6.874573 0.3843803      8.279610 
1 1 1 -7  13 16 o 28.74887 5.246570 74.95903       38.91769 200.5949       70.99686 20.99191       46.53149 39.58730 7.689924 17.91045 7.139401 21.67685       10.49314 
1 1 1 -7  13 17 o 17.52569 5.139560 12.43553       35.29025 -10.67307      60.27611 24.48821       43.53117 17.26835 7.562190 17.78302 6.962299 -0.5146675     10.27912 
1 1 1 -7  13 18 o 54.59016 3.169641 359.9491       41.11436 399.3567       65.83352 334.7514       52.64264 56.93786 4.779073 52.24247 4.164968 4.695396       6.339282 
1 1 1 -7  13 19 f 52.05192 3.394675 334.9039       41.48597 341.0057       67.53971 331.2068       52.57280 52.27830 5.339929 51.82553 4.192904 0.4527626      6.789351 
1 1 1 -7  13 20 o 24.48716 5.616874 84.02905       41.66962 113.0579       47.65830 -10.19274      85.86163 29.01194 6.891971 19.96237 8.871181 9.049566       11.23375 
1 1 1 -7  15 1  o 182.9622 2.949046 4052.204       130.5333 4112.364       185.3952 3993.063       183.8188 184.3091 4.157664 181.6152 4.183459 2.693954       5.898093 
1 1 1 -7  15 2  o 423.8278 5.443910 21581.70       554.1448 20192.25       732.2739 23443.68       847.6924 408.0559 7.417397 439.5997 7.970372 -31.54376      10.88782 
1 1 1 -7  15 3  o 314.3748 4.212499 11955.03       319.9796 11594.14       439.1555 12363.46       467.1829 309.3339 5.867980 319.4158 6.045444 -10.08194      8.424997 
1 1 1 -7  15 4  o 372.2375 4.853377 16800.81       437.0595 16922.83       622.2352 16681.99       614.0373 373.5686 6.884649 370.9064 6.842710 2.662262       9.706754 
1 1 1 -7  15 5  o 158.9338 3.919224 3058.319       150.7019 0.000000       0.000000 3058.319       150.7019 ?        ?        158.9338 3.919224 ?              ?        
1 1 1 -7  15 6  o 414.2786 5.338256 20787.54       534.1002 20071.75       729.5453 21614.32       784.0610 406.6369 7.415547 421.9203 7.680989 -15.28336      10.67651 
1 1 1 -7  15 7  o 225.5004 3.280948 6158.858       178.9654 6246.778       256.1118 6074.963       250.1828 227.0710 4.661928 223.9297 4.617889 3.141296       6.561895 
1 1 1 -7  15 8  o 78.85658 2.750041 753.3303       52.42342 715.4817       73.89147 791.6882       74.38684 76.85969 3.973684 80.85348 3.802727 -3.993790      5.500082 
1 1 1 -7  15 9  o 357.6018 4.691596 15527.15       405.9005 15482.14       572.7258 15572.57       575.3431 357.0823 6.629429 358.1214 6.640402 -1.039063      9.383191 
1 1 1 -7  15 10 o 198.5435 3.057977 4776.774       146.8844 4832.724       208.6436 4721.798       206.8201 199.6965 4.318493 197.3904 4.330763 2.306122       6.115954 
1 1 1 -7  15 11 o 179.3139 2.944064 3896.350       127.7010 3939.181       182.5712 3855.323       178.6846 180.2766 4.185916 178.3512 4.141034 1.925461       5.888128 
1 1 1 -7  15 12 o 206.6036 3.150102 5169.143       157.2684 5363.417       229.3830 4996.815       216.0386 210.2528 4.509383 202.9544 4.399776 7.298386       6.300204 
1 1 1 -7  15 13 o 150.9051 2.771650 2762.613       101.1723 2800.894       144.8121 2726.111       141.4071 151.9236 3.939829 149.8865 3.899477 2.037064       5.543300 
1 1 1 -7  15 14 o 60.17342 3.293633 438.5878       47.69722 506.7230       69.94166 379.3519       65.21430 64.53488 4.479599 55.81196 4.829624 8.722923       6.587265 
1 1 1 -7  15 15 o 163.6826 2.813200 3237.129       110.9334 3554.415       166.4514 2983.581       148.7962 170.8284 4.027403 156.5368 3.928919 14.29155       5.626400 
1 1 1 -7  15 16 o 80.14403 2.852419 767.5053       54.70909 918.6377       85.01006 660.6580       71.47819 86.73087 4.051299 73.55717 4.016486 13.17370       5.704838 
1 1 1 -7  15 17 o 91.59128 2.725464 1017.263       59.92702 1097.262       91.81072 957.8790       79.10152 94.65866 4.008951 88.52389 3.693364 6.134773       5.450929 
1 1 1 -7  15 18 o 59.87885 3.369479 437.0964       47.54618 473.8350       77.72349 415.1266       60.10418 61.72557 5.204570 58.03211 4.280889 3.693462       6.738958 
1 1 1 -7  15 19 f 22.74817 5.729516 33.63312       42.70104 124.1932       72.22122 -15.04015      52.94704 29.99694 9.132304 15.49941 6.921737 14.49753       11.45903 
1 1 1 -7  15 20 o 45.60502 6.762876 316.1021       75.85091 464.1285       106.0547 161.0946       108.5268 58.79116 7.456168 32.41888 11.28501 26.37228       13.52575 
1 1 1 -7  17 1  o 410.8978 5.303828 20495.52       527.1979 20687.56       752.6127 20310.51       738.7222 412.7803 7.536163 409.0154 7.465161 3.764893       10.60766 
1 1 1 -7  17 2  f 236.6894 3.436126 6786.904       196.7578 6721.979       276.7513 6853.262       279.7887 235.5451 4.856388 237.8337 4.862444 -2.288559      6.872253 
1 1 1 -7  17 3  o 269.4812 3.757525 8785.353       244.6789 8487.157       335.9947 9122.030       357.0179 264.6282 5.248002 274.3343 5.379076 -9.706085      7.515050 
1 1 1 -7  17 4  f 243.5938 3.497779 7176.308       205.8678 6924.667       282.4303 7461.578       300.7108 239.0520 4.883335 248.1355 5.009079 -9.083527      6.995557 
1 1 1 -7  17 5  o 296.4911 4.040754 10611.82       288.9355 11252.53       429.9231 10084.06       390.1929 304.6002 5.833892 288.3820 5.592538 16.21820       8.081509 
1 1 1 -7  17 6  o 218.6093 3.269475 5788.682       172.8795 5685.608       241.2531 5897.476       247.8577 216.6115 4.603511 220.6071 4.643874 -3.995651      6.538950 
1 1 1 -7  17 7  o 253.8332 3.594502 7808.641       220.6898 7684.292       307.9502 7939.931       316.4273 251.7595 5.055827 255.9068 5.110811 -4.147308      7.189004 
1 1 1 -7  17 8  o 115.1893 2.730439 1609.438       75.99517 1539.609       108.5392 1676.590       106.4384 112.7301 3.979648 117.6485 3.739465 -4.918457      5.460879 
1 1 1 -7  17 9  o 74.88966 3.221735 680.8884       58.24628 628.6780       82.31887 733.2356       82.42661 72.00441 4.725394 77.77492 4.380519 -5.770508      6.443469 
1 1 1 -7  17 10 o 186.8881 3.025651 4234.960       136.8024 4255.962       194.2367 4214.288       192.7080 187.3472 4.285305 186.4290 4.272519 0.9182129      6.051302 
1 1 1 -7  17 11 o 145.4321 2.808944 2557.995       98.68745 2739.243       143.9915 2397.438       135.5233 150.2773 3.960421 140.5869 3.984437 9.690460       5.617888 
1 1 1 -7  17 12 o 89.04404 3.014115 965.0692       64.79897 910.2609       92.70045 1017.438       90.61430 86.55233 4.426911 91.53574 4.091700 -4.983406      6.028229 
1 1 1 -7  17 13 o 123.9605 2.724744 1841.845       81.07932 2081.373       124.5184 1665.535       106.8302 130.8483 3.933357 117.0728 3.771688 13.77551       5.449489 
1 1 1 -7  17 14 o 63.18475 3.498450 483.2590       52.73345 517.4479       82.83659 459.9630       68.37868 64.99850 5.267645 61.37101 4.605270 3.627487       6.996899 
1 1 1 -7  17 15 o 102.1551 2.826124 1261.488       69.47288 1449.947       104.1064 1110.182       93.28152 108.9754 3.948628 95.33482 4.044285 13.64063       5.652248 
1 1 1 -7  17 16 o 91.78572 2.917911 1010.032       64.02956 1188.813       100.3639 887.3215       83.14900 98.46054 4.213210 85.11091 4.038030 13.34963       5.835823 
1 1 1 -7  17 17 o 80.39240 3.107401 776.8530       59.57707 926.1540       94.46300 678.2393       76.77129 86.60028 4.508584 74.18451 4.277434 12.41577       6.214802 
1 1 1 -7  17 18 o 21.34941 5.869905 39.08735       47.03749 -30.37769      80.42461 75.20290       57.98999 18.39734 8.345266 24.30147 8.257098 -5.904123      11.73981 
1 1 1 -7  17 19 f 61.81810 3.972348 488.7603       58.79962 497.1860       90.00882 482.4876       77.66127 62.03962 5.996717 61.59658 5.211294 0.4430351      7.944696 
1 1 1 -7  17 20 o 51.52245 7.337570 421.0950       88.29272 390.4819       123.9898 452.5878       125.7585 49.12747 10.73205 53.91743 10.00913 -4.789967      14.67514 
1 1 1 -7  19 1  o 106.9301 2.826996 1385.548       73.09606 1403.782       102.1255 1366.395       104.6683 107.6545 3.921026 106.2058 4.073472 1.448730       5.653991 
1 1 1 -7  19 2  o 196.5255 3.116819 4665.542       147.9240 4914.803       217.3890 4450.611       201.8649 201.3948 4.461561 191.6561 4.353472 9.738708       6.233638 
1 1 1 -7  19 3  o 144.6176 2.808000 2532.814       98.21484 2510.384       136.8984 2556.603       140.9853 143.9600 3.930558 145.2751 4.011254 -1.315109      5.615999 
1 1 1 -7  19 4  o 211.8413 3.239860 5431.011       165.8836 5267.500       228.4415 5613.408       241.2738 208.4778 4.529109 215.2048 4.634000 -6.726944      6.479721 
1 1 1 -7  19 5  f 253.6132 3.628643 7800.024       222.6425 7745.453       313.5696 7855.506       316.1747 252.7191 5.128539 254.5074 5.134811 -1.788300      7.257286 
1 1 1 -7  19 6  o 143.8368 2.829433 2506.833       98.45943 2505.323       138.6587 2508.369       139.8341 143.7941 3.985694 143.8796 4.017089 -0.8555603E-01 5.658865 
1 1 1 -7  19 7  o 41.57028 5.639509 222.2303       54.52250 273.9377       74.09708 161.1775       80.51507 47.47361 6.451289 35.66695 9.251870 11.80666       11.27902 
1 1 1 -7  19 8  o 80.81499 4.691308 792.3932       91.72510 0.000000       0.000000 792.3932       91.72510 ?        ?        80.81499 4.691308 ?              ?        
1 1 1 -7  19 9  o 80.94192 4.381646 795.1216       85.80508 0.000000       0.000000 795.1216       85.80508 ?        ?        80.94192 4.381646 ?              ?        
1 1 1 -7  19 10 o 184.1793 3.060100 4099.290       135.9264 4375.310       202.3033 3872.136       183.5239 189.7896 4.405835 178.5690 4.247996 11.22054       6.120200 
1 1 1 -7  19 11 o 204.7208 3.188548 5067.729       157.3746 5475.626       234.8848 4735.463       211.9938 212.1328 4.576619 197.3087 4.440937 14.82408       6.377097 
1 1 1 -7  19 12 o 99.95595 2.993527 1208.318       71.85588 1285.009       109.7211 1150.725       95.08277 102.6833 4.416602 97.22864 4.042084 5.454628       5.987053 
1 1 1 -7  19 13 o 73.29688 3.488845 659.2753       60.97411 649.6121       94.19273 666.2452       79.99679 72.75487 5.351223 73.83889 4.478010 -1.084023      6.977690 
1 1 1 -7  19 14 f 95.74223 2.999048 1118.488       69.26492 1245.747       100.6835 1004.144       95.43766 100.9278 4.123302 90.55668 4.356091 10.37111       5.998096 
1 1 1 -7  19 15 o 23.90745 6.328384 57.33776       50.55566 28.76251       74.60005 81.60750       68.75062 21.80326 8.913142 26.01164 8.986083 -4.208384      12.65677 
1 1 1 -7  19 16 o 128.0088 2.852128 1974.248       87.30117 2312.252       136.7611 1741.792       113.4153 137.0096 4.125811 119.0081 3.939062 18.00150       5.704255 
1 1 1 -7  19 17 o 23.18636 6.450617 52.87109       52.55626 42.01406       84.16022 59.81170       67.28994 23.13841 9.463930 23.23431 8.767889 -0.9589577E-01 12.90123 
1 1 1 -7  19 18 o 66.12944 3.945187 553.1171       62.49150 611.9196       96.95773 511.3319       81.73260 68.93816 5.813270 63.32073 5.335155 5.617424       7.890373 
1 1 1 -7  19 19 o 29.13575 6.916359 117.5478       60.04056 208.5565       95.37242 57.80050       77.27529 35.75880 10.39967 22.51271 9.120906 13.24608       13.83272 
1 1 1 -7  21 1  f 341.0468 4.553593 14080.16       374.6329 14859.83       556.1419 13432.45       506.8975 349.6213 6.574844 332.4723 6.301767 17.14896       9.107186 
1 1 1 -7  21 2  o 75.90276 3.524130 696.7261       63.61524 534.7795       86.76670 884.9698       93.54644 66.37595 5.403063 85.42957 4.526023 -19.05363      7.048261 
1 1 1 -7  21 3  o 207.4281 3.232019 5202.120       161.9024 4960.711       220.9576 5481.993       237.9101 202.2539 4.515540 212.6022 4.625331 -10.34828      6.464038 
1 1 1 -7  21 4  o 248.9924 3.606521 7519.066       217.1446 7345.120       301.1860 7707.351       313.3528 246.0026 5.060493 251.9822 5.139980 -5.979630      7.213042 
1 1 1 -7  21 5  o 141.7866 2.886536 2438.002       99.00771 2465.677       139.5848 2409.981       140.4553 142.5994 4.045928 140.9737 4.118110 1.625748       5.773072 
1 1 1 -7  21 6  o 190.1425 3.130954 4383.913       143.9630 4561.641       207.0625 4217.613       200.2951 193.8714 4.414540 186.4137 4.441095 7.457611       6.261908 
1 1 1 -7  21 7  o 77.80322 4.416515 805.4567       74.59068 936.7850       92.55062 562.0464       125.9997 87.83630 4.355149 67.77015 7.684732 20.06615       8.833031 
1 1 1 -7  21 8  o 163.9582 2.943961 3264.698       116.7676 3290.310       166.5718 3239.952       163.7335 164.5872 4.183146 163.3292 4.143539 1.258087       5.887923 
1 1 1 -7  21 9  o 88.04340 3.191557 944.2319       67.91661 907.8933       96.82359 979.4298       95.29190 86.36001 4.634108 89.72678 4.389667 -3.366768      6.383113 
1 1 1 -7  21 10 o 161.3404 2.919384 3166.404       113.8862 3248.470       164.6071 3091.052       157.7316 163.3346 4.165509 159.3463 4.091424 3.988281       5.838768 
1 1 1 -7  21 11 o 152.7780 2.945333 2814.132       108.2082 3173.004       164.2733 2539.071       143.8178 161.2683 4.210325 144.2878 4.119844 16.98053       5.890667 
1 1 1 -7  21 12 o 71.12679 3.784667 594.2524       62.81878 875.1810       100.1775 412.1964       80.64450 84.45232 4.902937 57.80126 5.766803 26.65106       7.569334 
1 1 1 -7  21 13 o 65.91558 3.721854 522.7870       58.53212 659.7819       90.82897 425.4910       76.54554 73.14743 5.132430 58.68373 5.391378 14.46370       7.443708 
1 1 1 -7  21 14 o 132.2009 3.005934 2127.109       95.61592 2380.938       144.6453 1930.112       127.4279 139.1083 4.297826 125.2935 4.203717 13.81479       6.011868 
1 1 1 -7  21 15 o 171.2583 3.108193 3573.928       127.6535 4054.864       197.1401 3226.676       167.5150 180.9349 4.503500 161.5817 4.285082 19.35320       6.216385 
1 1 1 -7  21 16 o 53.80947 4.646167 369.2636       60.15476 423.9675       90.29036 325.6019       80.66449 57.38927 6.502919 50.22967 6.637733 7.159599       9.292334 
1 1 1 -7  21 17 o 50.52444 5.258479 343.5089       64.15929 346.3084       93.66506 341.0342       88.06364 50.56447 7.656492 50.48440 7.210030 0.8007050E-01  10.51696 
1 1 1 -7  21 18 f 23.88282 6.888210 68.73994       64.76338 25.86524       100.3246 99.37148       84.79906 21.84455 9.654023 25.92109 9.827999 -4.076540      13.77642 
1 1 1 -7  23 1  o 107.5918 2.987427 1406.214       77.72123 1450.812       109.4718 1360.886       110.3625 109.3207 4.139019 105.8628 4.308991 3.457870       5.974854 
1 1 1 -7  23 2  o 114.1062 2.947379 1579.876       81.32735 1650.926       116.4369 1512.195       113.6425 116.6138 4.127038 111.5986 4.209005 5.015144       5.894757 
1 1 1 -7  23 3  o 163.3646 2.962079 3240.877       117.0699 3258.247       166.3129 3223.818       164.8208 163.7973 4.196786 162.9320 4.181224 0.8653412      5.924158 
1 1 1 -7  23 4  f 94.32085 3.095655 1083.207       70.46147 998.1747       99.93449 1167.270       99.36310 90.61461 4.558426 98.02710 4.189640 -7.412491      6.191310 
1 1 1 -7  23 5  o 191.1440 3.114430 4429.937       143.7919 4667.438       210.8330 4223.387       196.6156 195.9105 4.448141 186.3775 4.360359 9.533005       6.228859 
1 1 1 -7  23 6  o 111.8668 4.103674 1521.713       111.0648 0.000000       0.000000 1521.713       111.0648 ?        ?        111.8668 4.103674 ?              ?        
1 1 1 -7  23 7  o 95.33630 3.159599 1091.854       72.35881 1269.320       110.0637 956.7650       96.02794 102.0642 4.457262 88.60840 4.479406 13.45581       6.319198 
1 1 1 -7  23 8  o 104.9655 3.129904 1338.836       79.25889 1414.079       117.5929 1276.198       107.2920 107.6390 4.515534 102.2921 4.335337 5.346878       6.259808 
1 1 1 -7  23 9  o 62.07438 4.307280 473.9831       63.97435 574.4487       93.34637 384.9997       87.85033 68.34604 5.645232 55.80273 6.507073 12.54331       8.614560 
1 1 1 -7  23 10 o 81.65204 3.474746 818.1375       68.62505 843.3273       98.13783 794.0338       95.99850 82.88631 4.893858 80.41777 4.934124 2.468536       6.949492 
1 1 1 -7  23 11 f 111.9430 3.042390 1535.063       82.35964 1596.873       118.3862 1477.092       114.6518 114.1301 4.287447 109.7559 4.317679 4.374146       6.084781 
1 1 1 -7  23 12 o 71.32066 4.093670 633.1707       70.35669 710.6238       101.2724 560.9135       97.81637 75.62218 5.535278 67.01913 6.032681 8.603043       8.187341 
1 1 1 -7  23 13 o 27.35572 6.692777 94.56075       54.40932 74.88811       82.43980 109.7430       72.42256 25.91120 9.719843 28.80023 9.203136 -2.889034      13.38555 
1 1 1 -7  23 14 f 64.52535 4.372033 525.8465       67.99104 587.0576       101.2576 475.5891       91.75143 67.93019 6.161160 61.12051 6.204739 6.809677       8.744065 
1 1 1 -7  23 15 o 32.06406 7.106975 149.5289       61.87162 126.5656       87.48603 172.5066       87.51336 29.83668 10.14190 34.29145 9.958824 -4.454779      14.21395 
1 1 1 -7  23 16 o 40.45116 6.961809 249.9325       67.83689 284.5515       96.69954 216.3860       95.18998 43.66688 9.429099 37.23544 10.24496 6.431438       13.92362 
1 1 1 -7  23 17 o 20.79968 6.333493 -24.30638      67.92154 -167.7834      96.26938 117.9030       95.84315 14.60046 7.235912 26.99890 10.39683 -12.39844      12.66699 
1 1 1 -7  25 1  o 150.4141 2.969794 2756.578       108.0648 2716.841       152.7834 2796.360       152.8702 149.3218 4.229126 151.5063 4.170514 -2.184555      5.939588 
1 1 1 -7  25 2  o 82.70689 3.441770 832.1911       68.70693 914.2101       100.6334 760.5760       94.03448 86.51824 4.807642 78.89555 4.926430 7.622696       6.883541 
1 1 1 -7  25 3  o 89.36765 3.267385 969.6141       70.40141 1041.400       105.0389 911.0646       94.86232 92.33923 4.701770 86.39607 4.538344 5.943153       6.534770 
1 1 1 -7  25 4  o 44.36197 5.593602 248.4547       57.50968 341.5768       85.07205 170.0839       78.04366 52.59151 6.686040 36.13244 8.969416 16.45907       11.18720 
1 1 1 -7  25 5  o 84.23531 3.290257 860.3869       66.75928 973.0210       99.61562 768.5566       89.94676 89.20447 4.615710 79.26614 4.690245 9.938324       6.580515 
1 1 1 -7  25 6  o 136.5340 2.928595 2259.675       96.34783 2476.043       144.3615 2085.888       129.3792 142.3676 4.191195 130.7005 4.091523 11.66710       5.857190 
1 1 1 -7  25 7  o 59.05923 4.774324 440.6473       66.84512 391.7542       101.5979 477.9676       88.76327 55.93207 7.507950 62.18638 5.899778 -6.254314      9.548649 
1 1 1 -7  25 8  o 59.58847 4.822434 445.3034       68.25140 343.8901       94.64936 555.1595       98.51049 52.29880 7.480380 66.87814 6.088300 -14.57933      9.644868 
1 1 1 -7  25 9  o 23.43687 6.752240 33.77840       60.99284 56.58928       85.08879 9.670466       87.47449 24.95647 9.744101 21.91726 9.350052 3.039207       13.50448 
1 1 1 -7  25 10 o 110.0728 3.229935 1494.692       86.00812 1495.708       122.4425 1493.702       120.8410 110.0961 4.596827 110.0495 4.538622 0.4658508E-01  6.459869 
1 1 1 -7  25 11 o 46.58643 6.223218 292.2759       67.54037 302.1659       97.38661 283.1107       93.75017 47.34918 8.825993 45.82369 8.775855 1.525486       12.44644 
1 1 1 -7  25 12 o 62.79469 4.575500 504.5534       69.42761 489.4315       99.57138 518.8618       96.85587 61.77694 6.662019 63.81245 6.273619 -2.035519      9.150999 
1 1 1 -7  25 13 o 49.24533 5.620447 327.3423       64.50552 395.9912       93.36023 264.6342       89.22909 54.99682 7.016524 43.49383 8.782146 11.50299       11.24089 
1 1 1 -7  25 14 o 24.63528 7.118007 64.73935       67.39176 76.26228       90.37141 50.30399       101.1494 25.19235 9.978669 24.07822 10.15334 1.114130       14.23601 
1 1 1 -7  25 15 o 27.95166 7.450286 122.8329       68.96043 109.4679       99.51103 135.1815       95.65289 26.96361 10.53488 28.93970 10.53772 -1.976091      14.90057 
1 1 1 -7  27 1  o 61.72658 4.409550 473.4378       65.75153 470.6621       95.47480 475.9419       90.68350 61.50715 6.415948 61.94601 6.050797 -0.4388657     8.819100 
1 1 1 -7  27 2  o 52.11554 5.044131 339.7584       63.32992 346.2121       94.33265 334.4630       85.44894 52.48945 7.428270 51.74163 6.825968 0.7478142      10.08826 
1 1 1 -7  27 3  o 62.49430 4.273858 483.5724       64.26295 498.3738       96.64732 471.8423       86.03813 63.27532 6.313253 61.71328 5.762487 1.562038       8.547715 
1 1 1 -7  27 4  o 82.84986 3.581149 842.1232       71.44563 891.9652       107.4150 802.5775       95.67902 84.98547 5.224178 80.71425 4.899641 4.271225       7.162298 
1 1 1 -7  27 5  o 53.66477 5.273777 348.2531       64.13390 524.1110       103.5969 238.9748       81.66442 64.66822 6.621457 42.66132 8.210189 22.00690       10.54755 
1 1 1 -7  27 6  o 98.82470 4.873311 1206.624       116.5177 1206.624       116.5177 0.000000       0.000000 98.82470 4.873311 ?        ?        ?              ?        
1 1 1 -7  27 7  o 155.7098 3.095362 2920.830       115.1849 3462.010       180.8071 2551.171       149.4327 167.5150 4.461280 143.9045 4.292090 23.61047       6.190723 
1 1 1 -7  27 8  o 144.1497 4.529413 2579.932       156.4559 3075.550       241.0056 2218.917       205.6912 155.9044 6.389493 132.3950 6.421581 23.50948       9.058825 
1 1 1 -7  27 9  o 50.07372 5.637135 333.5995       66.01099 378.3440       92.60056 287.3693       94.12540 54.21496 7.059796 45.93248 8.790246 8.282478       11.27427 
1 1 1 -7  27 10 f 61.43350 4.601085 486.6957       67.86355 557.0893       96.62556 418.1706       95.33456 66.08103 6.043839 56.78597 6.939161 9.295059       9.202170 
1 1 1 -7  27 11 o 89.61623 3.741940 1017.562       80.82661 1144.200       117.3003 903.0757       111.5301 95.06399 5.100123 84.16846 5.476970 10.89553       7.483880 
1 1 1 -7  27 12 o 29.90342 7.571487 135.1937       69.48135 132.4358       99.05940 137.8646       97.48251 29.67927 10.73641 30.12757 10.67891 -0.4482975     15.14297 
1 1 1 -7  27 13 o 23.40817 7.025467 56.03836       68.95692 57.30928       92.37141 54.43852       103.6377 23.20112 9.738793 23.61522 10.12841 -0.4140949     14.05093 
1 1 1 -7  29 1  o 34.62013 7.136435 164.3294       63.79719 199.3219       94.29080 134.7853       86.63972 37.74654 10.11858 31.49371 10.06624 6.252832       14.27287 
1 1 1 -7  29 2  f 60.17732 4.688319 453.6279       67.72449 536.3507       102.8664 390.3378       89.97639 64.98628 6.542588 55.36835 6.716835 9.617928       9.376637 
1 1 1 -7  29 3  o 39.32475 6.916949 213.5399       66.52271 275.7151       97.66706 159.7337       90.85638 44.81082 9.312726 33.83867 10.22985 10.97215       13.83390 
1 1 1 -7  29 4  o 28.64690 7.132530 91.08860       65.29060 170.1502       97.96004 27.89543       87.57926 34.66827 10.65110 22.62552 9.489252 12.04275       14.26506 
1 1 1 -7  29 5  o 65.21402 4.438098 533.4979       68.76102 691.4565       103.6798 409.4674       91.87278 73.94617 5.795305 56.48187 6.723192 17.46430       8.876197 
1 1 1 -7  29 6  o 80.80728 5.567279 862.8487       108.6075 838.3105       157.1112 885.3064       150.3034 79.44305 8.174267 82.17152 7.560406 -2.728470      11.13456 
1 1 1 -7  29 7  o 34.25958 8.359967 159.0244       96.08517 285.0684       132.9500 21.20167       139.0233 42.69392 12.23905 25.82524 11.39131 16.86867       16.71993 
1 1 1 -7  29 8  o 48.78761 8.864824 389.9374       106.6455 445.3302       145.1336 324.9257       157.2308 53.86377 11.48757 43.71144 13.50467 10.15233       17.72965 
1 1 1 -7  29 9  o 31.02645 9.055634 139.2849       111.1152 164.5449       147.3730 106.0083       169.1495 32.27438 12.75582 29.77851 12.85718 2.495867       18.11127 
1 1 1 -7  29 10 o 27.57869 7.967074 24.56708       103.2008 251.1600       145.7388 -203.3314      146.1580 36.59639 13.04808 18.56099 9.145741 18.03540       15.93415 
1 1 1 -7  29 11 o 66.32764 7.797336 736.5387       122.2796 730.2796       176.6544 742.2963       169.4306 64.95556 11.66998 67.69972 10.34434 -2.744164      15.59467 
1 1 1 -6  0  1  o 120.8497 2.162731 1770.372       89.29691 1770.372       89.29691 1770.372       89.29691 120.8497 3.058564 120.8497 3.058564 0.000000       0.000000 
1 1 1 -6  0  2  o 170.2450 2.606276 3511.794       151.6535 3511.794       151.6535 3511.794       151.6535 170.2450 3.685831 170.2450 3.685831 0.000000       0.000000 
1 1 1 -6  0  4  o 202.4255 2.931238 4964.337       202.8254 4964.337       202.8254 4964.337       202.8254 202.4255 4.145396 202.4255 4.145396 0.000000       0.000000 
1 1 1 -6  2  3  o 148.8721 2.412695 2681.514       86.89146 2720.798       123.9051 2643.501       121.8859 149.9447 3.415512 147.7995 3.408618 2.145157       4.825391 
1 1 1 -6  2  4  o 206.9442 2.976186 5182.044       148.9881 5114.045       208.5200 5252.964       212.9519 205.5580 4.192865 208.3304 4.224998 -2.772354      5.952371 
1 1 1 -6  2  5  o 261.9859 3.559115 8305.021       225.5341 8176.573       314.6645 8440.720       323.4225 259.9044 5.004166 264.0673 5.062364 -4.162842      7.118230 
1 1 1 -6  2  6  o 122.4830 2.188669 1814.484       64.84603 1775.977       90.74471 1854.667       92.69879 121.1555 3.095822 123.8105 3.094670 -2.654984      4.377339 
1 1 1 -6  2  7  o 609.7006 7.625448 45041.78       1124.823 45030.78       1590.274 45052.79       1591.207 609.6263 10.78216 609.7749 10.78586 -0.1486206     15.25090 
1 1 1 -6  2  8  o 429.1161 6.707027 22383.80       662.3905 22570.81       820.7708 22034.51       1121.737 431.7765 7.857070 426.4558 10.87214 5.320679       13.41405 
1 1 1 -6  2  9  o 254.0157 4.927310 7811.236       302.8086 7844.141       429.4563 7778.703       427.0260 254.5476 6.973450 253.4839 6.963083 1.063675       9.854620 
1 1 1 -6  2  10 o 449.3747 8.105231 24503.17       881.2000 24473.53       1244.117 24533.02       1248.304 449.1034 11.45019 449.6459 11.47486 -0.5425415     16.21046 
1 1 1 -6  2  11 o 230.4991 4.590882 6431.523       255.8442 6271.267       353.9908 6606.782       370.1891 227.4996 6.431453 233.4985 6.552954 -5.998978      9.181765 
1 1 1 -6  2  12 o 122.0488 3.120644 1802.181       92.09807 1751.339       127.7352 1857.228       132.9116 120.2585 4.390286 123.8392 4.436110 -3.580788      6.241289 
1 1 1 -6  4  1  o 231.9561 4.599008 6512.937       258.0906 0.000000       0.000000 6512.937       258.0906 ?        ?        231.9561 4.599008 ?              ?        
1 1 1 -6  4  2  o 241.5641 3.350318 7063.704       195.8015 7093.789       277.6903 7033.956       276.1267 242.0755 4.741410 241.0527 4.734718 1.022812       6.700636 
1 1 1 -6  4  3  o 361.9125 4.684865 15833.52       409.6070 15317.94       561.1846 16421.38       599.2286 355.6266 6.522426 368.1983 6.726799 -12.57162      9.369731 
1 1 1 -6  4  4  o 147.6221 2.431628 2634.714       86.80701 2717.895       125.0466 2557.342       120.6013 149.8690 3.448720 145.3753 3.428934 4.493668       4.863256 
1 1 1 -6  4  5  o 531.6204 6.661529 34228.14       856.3167 34944.11       1236.206 33567.69       1187.304 536.9510 9.515985 526.2897 9.324694 10.66125       13.32306 
1 1 1 -6  4  6  o 456.7197 5.778075 25259.96       638.4550 25328.71       905.4947 25191.99       900.3506 457.3369 8.183656 456.1024 8.159189 1.234528       11.55615 
1 1 1 -6  4  7  o 397.9677 5.098039 19167.76       490.7754 19386.50       701.7423 18958.34       686.6269 400.1882 7.247882 395.7471 7.171347 4.441040       10.19608 
1 1 1 -6  4  8  o 258.4747 3.534314 8082.998       220.9869 7987.434       309.4284 8182.482       315.7117 256.9161 4.978135 260.0333 5.018333 -3.117188      7.068627 
1 1 1 -6  4  9  o 375.1316 4.838906 16993.62       438.3241 17715.53       644.5593 16372.58       597.8413 382.5182 6.964796 367.7449 6.719500 14.77328       9.677813 
1 1 1 -6  4  10 o 387.2000 4.986836 18158.37       467.0934 17968.61       654.0650 18355.87       667.2726 385.1385 7.019427 389.2615 7.085321 -4.123047      9.973672 
1 1 1 -6  4  11 o 162.7161 3.175280 3222.501       117.8162 3256.615       144.6490 3155.265       203.0725 164.0275 3.644993 161.4048 5.200349 2.622711       6.350559 
1 1 1 -6  4  12 f 230.8444 3.744887 6562.674       184.1723 6684.706       215.5977 6233.195       354.2607 234.9736 3.792474 226.7151 6.458627 8.258484       7.489775 
1 1 1 -6  4  13 o 135.8205 2.740563 2195.732       76.08497 2163.396       86.54502 2305.771       159.6517 133.6957 2.675607 137.9452 4.783709 -4.249466      5.481126 
1 1 1 -6  4  14 o 209.3414 4.295087 5318.308       217.5324 5339.679       307.3118 5296.847       307.9638 209.7649 6.055416 208.9178 6.092868 0.8470917      8.590175 
1 1 1 -6  4  15 o 194.8288 4.089811 4594.673       192.4115 4402.142       262.4108 4818.561       282.9731 190.4376 5.695432 199.2200 5.870970 -8.782379      8.179623 
1 1 1 -6  4  16 o 179.4774 3.877197 3841.585       166.5007 3444.378       216.6982 4414.040       260.1464 168.3855 5.319226 190.5694 5.642380 -22.18391      7.754393 
1 1 1 -6  6  1  o 245.6006 3.407947 7301.096       202.4930 7336.989       287.7895 7265.903       284.9680 246.1980 4.831568 245.0032 4.807531 1.194794       6.815893 
1 1 1 -6  6  2  o 493.5991 6.217161 29516.10       742.1215 29001.49       1031.112 30069.17       1068.946 489.1469 8.712932 498.0511 8.871143 -8.904205      12.43432 
1 1 1 -6  6  3  o 382.9073 4.928435 17747.11       456.3860 18071.19       656.7234 17444.40       634.6946 386.2828 7.027078 379.5318 6.912169 6.751007       9.856871 
1 1 1 -6  6  4  o 324.2807 4.265142 12706.74       334.1806 13166.54       488.0928 12301.01       458.4995 329.7893 6.117352 318.7720 5.945062 11.01730       8.530285 
1 1 1 -6  6  5  o 748.8320 11.33356 68297.00       1944.141 67531.23       3327.383 68693.94       2395.596 745.1365 18.45715 752.5275 13.15797 -7.390991      22.66713 
1 1 1 -6  6  6  o 567.5267 7.086688 38992.32       972.6125 39709.77       1400.799 38324.50       1351.489 572.5577 10.11240 562.4958 9.930956 10.06189       14.17338 
1 1 1 -6  6  7  o 198.7764 2.943112 4780.152       141.5247 4828.688       201.8605 4733.232       198.4747 199.7684 4.176593 197.7843 4.147734 1.984070       5.886224 
1 1 1 -6  6  8  o 227.5537 3.224772 6256.790       177.3676 6469.982       257.7776 6065.111       244.4259 231.2287 4.607880 223.8787 4.512656 7.350082       6.449544 
1 1 1 -6  6  9  o 691.7622 8.581413 58067.94       1436.008 58643.09       2051.606 57515.52       2010.657 695.1079 12.19942 688.4164 12.07214 6.691467       17.16283 
1 1 1 -6  6  10 o 238.5129 3.344128 6887.410       192.9729 6901.682       273.2123 6873.201       272.5985 238.7595 4.729741 238.2664 4.728881 0.4931030      6.688255 
1 1 1 -6  6  11 o 322.4416 4.250130 12599.92       331.5427 12675.69       471.3494 12525.71       466.4336 323.3997 6.024224 321.4835 5.996927 1.916168       8.500259 
1 1 1 -6  6  12 o 263.7221 3.608182 8420.445       230.0836 8635.209       332.3624 8222.811       318.8337 266.9444 5.146224 260.4998 5.058882 6.444672       7.216364 
1 1 1 -6  6  13 o 142.2739 2.445546 2449.283       84.14985 2518.545       120.9234 2384.246       117.1768 144.2226 3.465570 140.3252 3.451466 3.897400       4.891093 
1 1 1 -6  6  14 o 149.8332 2.945555 2796.003       92.95770 2879.607       108.4915 2565.140       180.2850 154.2262 2.907604 145.4402 5.123574 8.785995       5.891109 
1 1 1 -6  6  15 o 336.9434 5.124453 13872.80       363.2771 13929.93       420.9593 13706.13       719.0081 338.8201 5.135333 335.0667 8.869521 3.753387       10.24891 
1 1 1 -6  6  16 o 66.71235 2.583339 504.0251       32.41358 484.6720       35.60740 597.6205       78.30524 63.26777 2.326244 70.15693 4.613366 -6.889156      5.166678 
1 1 1 -6  6  17 o 165.9237 3.742659 3350.376       150.0890 3257.585       206.6847 3453.896       218.3078 163.5122 5.224634 168.3353 5.360333 -4.823044      7.485317 
1 1 1 -6  6  18 o 40.50967 3.554037 195.5639       34.19552 175.7287       43.60534 227.2457       55.10943 37.93238 4.751462 43.08695 5.286617 -5.154568      7.108074 
1 1 1 -6  6  19 o 29.00636 6.054017 107.7573       41.11242 0.000000       0.000000 107.7573       41.11242 ?        ?        29.00636 6.054017 ?              ?        
1 1 1 -6  8  1  o 612.9070 7.640917 45530.82       1132.796 45049.12       1582.851 46036.59       1621.893 609.5937 10.73241 616.2204 10.87887 -6.626709      15.28183 
1 1 1 -6  8  2  o 176.0722 2.753139 3747.170       117.2040 3641.667       162.2329 3862.351       169.5096 173.4829 3.865270 178.6614 3.921580 -5.178497      5.506279 
1 1 1 -6  8  3  o 220.2405 3.175701 5847.377       168.8274 6194.927       249.3021 5552.979       229.4478 226.2614 4.554211 214.2197 4.427129 12.04173       6.351402 
1 1 1 -6  8  4  o 607.1036 7.564725 44628.01       1110.529 45512.82       1602.077 43809.63       1540.768 612.8826 10.80447 601.3248 10.59073 11.55780       15.12945 
1 1 1 -6  8  5  f 238.4923 4.764323 6882.546       274.9019 0.000000       0.000000 6882.546       274.9019 ?        ?        238.4923 4.764323 ?              ?        
1 1 1 -6  8  6  o 376.1653 4.859743 17122.63       442.1641 17370.37       634.0368 16888.06       616.9424 378.8117 6.918130 373.5190 6.826997 5.292786       9.719486 
1 1 1 -6  8  7  o 352.9125 4.595105 15074.40       392.3016 15216.17       559.6879 14937.49       550.0345 354.5424 6.524925 351.2827 6.471887 3.259674       9.190210 
1 1 1 -6  8  8  o 403.4585 5.173257 19711.71       504.9361 19580.14       709.1838 19846.99       719.0942 402.0948 7.290009 404.8223 7.342080 -2.727539      10.34651 
1 1 1 -6  8  9  o 261.2897 3.591552 8263.502       226.9988 8390.795       324.9392 8142.163       317.2484 263.2535 5.101826 259.3259 5.056515 3.927582       7.183103 
1 1 1 -6  8  10 o 136.8864 2.447143 2267.580       81.03532 2313.490       115.4358 2222.974       113.7845 138.2524 3.451165 135.5204 3.470374 2.731979       4.894286 
1 1 1 -6  8  11 o 269.1537 3.681701 8777.578       239.7400 8829.559       340.5000 8726.478       337.6057 269.9433 5.213655 268.3641 5.199758 1.579193       7.363401 
1 1 1 -6  8  13 o 385.5968 4.987481 18049.37       465.0119 18447.59       671.6135 17682.68       644.4778 389.6624 7.124076 381.5312 6.981934 8.131287       9.974961 
1 1 1 -6  8  14 f 51.27798 2.797352 319.0609       34.63117 310.1040       50.20879 327.1891       47.82954 50.58741 4.102372 51.96856 3.804111 -1.381153      5.594704 
1 1 1 -6  8  15 o 143.5933 2.516227 2498.347       87.40676 2480.000       122.6093 2517.306       124.6393 143.0584 3.542484 144.1281 3.574408 -1.069717      5.032453 
1 1 1 -6  8  16 o 181.0616 3.266262 4077.624       125.2028 4184.328       146.3959 3787.031       241.5913 185.7786 3.257100 176.3447 5.662611 9.433899       6.532523 
1 1 1 -6  8  17 o 30.38705 4.483389 93.54300       25.84042 79.75302       28.32626 161.9274       63.07917 25.16690 4.827806 35.60720 7.556150 -10.44030      8.966779 
1 1 1 -6  8  18 o 114.1736 2.759717 1625.431       64.21095 1658.449       73.62546 1520.524       131.2369 116.8909 2.603426 111.4564 4.866861 5.434509       5.519434 
1 1 1 -6  8  19 o 53.17007 3.732623 341.6630       46.70257 320.4045       58.76547 378.1082       76.94435 51.06501 4.756599 55.27514 5.753665 -4.210129      7.465246 
1 1 1 -6  8  20 o 56.57565 3.671772 375.0699       48.80048 301.8441       60.92696 506.1273       81.50957 49.32925 5.105083 63.82204 5.278805 -14.49280      7.343544 
1 1 1 -6  8  21 o 26.89004 5.016033 96.94653       32.92592 98.84592       43.57902 94.41999       50.26118 27.25619 6.664268 26.52389 7.498658 0.7323017      10.03207 
1 1 1 -6  10 1  o 635.2361 7.900887 48809.13       1212.562 50414.87       1772.119 47395.48       1662.746 645.0262 11.35568 625.4459 10.98838 19.58038       15.80177 
1 1 1 -6  10 2  o 235.1430 3.340967 6690.557       190.0668 6683.581       268.6351 6697.549       268.9554 235.0203 4.724492 235.2658 4.725189 -0.2454681     6.681933 
1 1 1 -6  10 3  o 509.9902 9.092987 31497.06       1121.943 31497.06       1121.943 0.000000       0.000000 509.9902 9.092987 ?        ?        ?              ?        
1 1 1 -6  10 4  o 312.6732 5.906820 11832.21       446.8346 0.000000       0.000000 11832.21       446.8346 ?        ?        312.6732 5.906820 ?              ?        
1 1 1 -6  10 5  o 291.3340 3.927826 10264.02       276.7025 10035.61       383.7338 10511.43       399.3670 287.9615 5.507993 294.7066 5.601186 -6.745148      7.855652 
1 1 1 -6  10 6  o 449.0031 5.707983 24397.46       619.6925 24942.82       895.2238 23895.72       858.6736 453.8116 8.153681 444.1945 7.990106 9.617035       11.41597 
1 1 1 -6  10 7  o 525.6519 6.612871 33465.52       840.3903 32741.07       1162.354 34259.00       1216.475 519.7093 9.244339 531.5944 9.458459 -11.88507      13.22574 
1 1 1 -6  10 8  o 486.5712 6.151046 28662.00       722.9781 27774.60       989.8486 29676.74       1058.490 478.5367 8.549707 494.6057 8.845562 -16.06909      12.30209 
1 1 1 -6  10 9  o 74.59862 2.431241 673.2172       43.85622 663.3384       60.86739 683.8829       63.24506 74.03028 3.398388 75.16695 3.477742 -1.136673      4.862482 
1 1 1 -6  10 10 o 139.4648 2.493592 2353.756       84.11586 2317.498       117.3286 2392.101       120.6568 138.3608 3.505005 140.5689 3.547808 -2.208099      4.987184 
1 1 1 -6  10 11 o 212.5848 3.118011 5474.427       160.3631 5460.858       226.0052 5488.185       227.5784 212.3202 4.399718 212.8494 4.419328 -0.5292511     6.236022 
1 1 1 -6  10 12 o 393.7234 5.085778 18814.85       484.0949 19287.83       701.0797 18383.84       669.2557 398.4290 7.273008 389.0178 7.110831 9.411224       10.17156 
1 1 1 -6  10 13 o 147.4429 2.586886 2624.370       92.12119 2798.716       135.0725 2472.749       125.9622 152.0051 3.672877 142.8806 3.643884 9.124496       5.173772 
1 1 1 -6  10 14 o 75.22450 2.605401 685.0389       47.39440 707.0872       68.31757 664.5829       65.80463 76.38987 3.696531 74.05913 3.672616 2.330742       5.210802 
1 1 1 -6  10 15 o 144.6720 2.575867 2534.342       90.09425 2651.431       130.2892 2427.053       124.7183 147.8696 3.641893 141.4744 3.643760 6.395203       5.151735 
1 1 1 -6  10 16 o 107.6016 2.386064 1399.430       61.97546 1485.683       91.49014 1326.288       84.24992 110.6496 3.417608 104.5537 3.330640 6.095825       4.772129 
1 1 1 -6  10 17 o 115.7868 2.409143 1625.804       67.39726 1705.148       98.47681 1555.892       92.43781 118.4330 3.436838 113.1406 3.376985 5.292427       4.818286 
1 1 1 -6  10 18 o 33.37286 5.055734 145.5278       32.49986 148.5915       36.13039 132.5402       74.38950 34.85697 4.284308 31.88874 9.158957 2.968233       10.11147 
1 1 1 -6  10 19 o 63.49255 3.488007 495.8491       40.41755 495.0682       44.44312 499.5836       97.18688 63.75677 2.881217 63.22833 6.353216 0.5284348      6.976013 
1 1 1 -6  10 20 o 48.71807 3.912175 270.2729       33.11771 259.2648       35.69425 338.3700       88.77851 46.02533 3.205524 51.41081 7.137581 -5.385479      7.824349 
1 1 1 -6  12 1  o 490.6155 6.203529 29113.91       735.5590 28359.50       1012.441 29957.25       1070.457 483.9018 8.647888 497.3293 8.896579 -13.42743      12.40706 
1 1 1 -6  12 2  o 386.9968 6.193388 17733.69       531.9675 17152.17       631.4673 19155.27       987.3108 376.4033 6.934181 397.5903 10.26398 -21.18701      12.38678 
1 1 1 -6  12 3  o 424.6815 6.722639 21396.09       634.1307 20736.14       753.4999 22998.21       1174.029 413.8182 7.526124 435.5448 11.14150 -21.72662      13.44528 
1 1 1 -6  12 4  o 604.3840 7.543815 44282.85       1103.053 44084.72       1553.541 44484.29       1566.443 603.0233 10.64845 605.7449 10.68864 -2.721619      15.08763 
1 1 1 -6  12 5  o 428.3619 6.695276 22375.28       660.3261 21820.35       1114.453 22675.50       819.7087 424.0961 10.86163 432.6278 7.831462 -8.531677      13.39055 
1 1 1 -6  12 6  o 547.7175 8.382622 36782.51       1062.906 35312.32       1764.733 37619.48       1331.517 538.6680 13.54115 556.7669 9.884871 -18.09888      16.76524 
1 1 1 -6  12 7  o 268.8625 4.531277 8728.218       277.1295 8853.063       484.2288 8667.408       337.9477 270.2072 7.407156 267.5180 5.221487 2.689178       9.062553 
1 1 1 -6  12 8  o 265.9222 4.492096 8554.197       272.2097 8627.008       473.2880 8518.206       332.7542 266.6715 7.335785 265.1729 5.186712 1.498627       8.984193 
1 1 1 -6  12 9  o 253.6234 3.543009 7775.468       217.0824 8121.483       317.7157 7472.489       297.3017 258.8984 5.072325 248.3484 4.948046 10.55000       7.086018 
1 1 1 -6  12 10 o 353.7700 4.628501 15143.26       395.3038 15833.12       582.6175 14554.77       538.1183 361.1937 6.667162 346.3463 6.421919 14.84738       9.257003 
1 1 1 -6  12 11 o 185.2607 2.893744 4154.221       129.6368 4263.602       186.9904 4052.995       179.8843 187.6051 4.119765 182.9163 4.064793 4.688766       5.787487 
1 1 1 -6  12 12 o 112.3278 2.509207 1527.048       68.16456 1582.581       97.86767 1474.728       94.99500 114.3100 3.538772 110.3455 3.558311 3.964584       5.018414 
1 1 1 -6  12 13 o 91.17365 2.578566 1005.468       56.82423 1067.173       82.15418 948.8701       78.68145 93.85214 3.618122 88.49516 3.674942 5.356979       5.157132 
1 1 1 -6  12 14 o 167.2546 2.771951 3385.625       112.0484 3561.253       162.9851 3228.230       154.2927 171.3577 3.931352 163.1514 3.908878 8.206284       5.543902 
1 1 1 -6  12 15 o 78.43959 2.634478 740.9003       49.76100 848.2643       73.87012 651.7079       67.32919 83.60626 3.651974 73.27291 3.798023 10.33335       5.268956 
1 1 1 -6  12 16 o 112.6604 2.511168 1540.068       68.30852 1579.979       100.3350 1505.588       93.25835 114.0058 3.637670 111.3151 3.462832 2.690758       5.022335 
1 1 1 -6  12 17 o 35.97609 4.353202 156.4278       36.46124 190.6523       59.27756 135.5990       46.24395 39.29099 6.235841 32.66119 6.075834 6.629799       8.706405 
1 1 1 -6  12 18 o 18.44951 4.945101 29.90955       31.87753 -9.890771      54.64521 50.44039       39.24751 16.39702 7.189958 20.50200 6.791214 -4.104977      9.890202 
1 1 1 -6  12 19 f 45.43577 4.339888 247.8834       40.75851 237.8700       46.41513 281.6181       85.19361 43.92632 4.367495 46.94522 7.500899 -3.018902      8.679775 
1 1 1 -6  12 20 o 38.52089 5.599650 218.9223       41.06792 233.2763       45.91092 161.4515       91.86591 43.34380 4.378110 33.69797 10.30808 9.645828       11.19930 
1 1 1 -6  14 1  o 301.5698 4.079254 10986.11       297.1293 10581.73       406.1801 11451.59       435.7892 295.6192 5.679155 307.5203 5.857340 -11.90115      8.158507 
1 1 1 -6  14 2  o 74.76509 3.015776 675.3053       54.40676 660.0126       73.94489 693.3565       80.33761 73.84518 4.138888 75.68501 4.387395 -1.839821      6.031553 
1 1 1 -6  14 3  o 262.5958 3.668943 8313.383       232.4709 8837.719       344.5214 7875.091       314.9874 270.1606 5.270985 255.0310 5.105025 15.12967       7.337886 
1 1 1 -6  14 4  o 375.8793 4.886775 17110.78       444.1486 17500.49       641.3083 16751.56       615.7151 379.9823 6.975916 371.7763 6.845353 8.205994       9.773549 
1 1 1 -6  14 5  o 285.5399 3.893679 9852.573       268.5297 9480.782       366.9752 10281.09       393.9777 279.7618 5.421831 291.3180 5.589874 -11.55612      7.787358 
1 1 1 -6  14 6  o 282.7635 3.859129 9684.408       263.9539 9542.764       368.8072 9833.150       377.9345 280.6466 5.431719 284.8804 5.483423 -4.233765      7.718257 
1 1 1 -6  14 7  o 151.6148 2.661755 2783.125       97.63447 2786.300       137.6832 2779.912       138.4721 151.7022 3.751343 151.5273 3.777193 0.1748962      5.323511 
1 1 1 -6  14 8  o 349.3934 4.593518 14760.99       387.3203 15485.38       572.8487 14150.95       525.6918 357.2425 6.627878 341.5442 6.361829 15.69833       9.187037 
1 1 1 -6  14 9  o 207.4723 3.105950 5206.301       155.7615 5418.667       226.2574 5014.982       214.7527 211.4853 4.422017 203.4592 4.362736 8.026047       6.211900 
1 1 1 -6  14 10 o 300.0973 4.048231 10921.19       293.8464 11096.18       421.3581 10755.51       409.9979 302.4317 5.758664 297.7628 5.691265 4.668854       8.096462 
1 1 1 -6  14 11 o 272.2773 3.764017 8976.581       247.6437 9318.256       361.3599 8674.012       340.0527 277.1440 5.389296 267.4107 5.256119 9.733368       7.528034 
1 1 1 -6  14 12 o 206.3475 3.122753 5162.967       155.8968 5152.945       220.0830 5173.060       220.8618 206.1469 4.412732 206.5480 4.419744 -0.4011536     6.245506 
1 1 1 -6  14 13 o 177.3645 2.902056 3812.672       124.4653 3930.484       179.5924 3703.788       172.6535 179.9960 4.124039 174.7330 4.084118 5.263000       5.804112 
1 1 1 -6  14 14 o 251.2734 3.563649 7577.365       214.6180 8452.188       332.3318 6951.504       281.0934 263.4904 5.213203 239.0563 4.860133 24.43408       7.127298 
1 1 1 -6  14 15 o 96.91161 3.652248 1141.483       85.63245 0.000000       0.000000 1141.483       85.63245 ?        ?        96.91161 3.652248 ?              ?        
1 1 1 -6  14 16 o 122.7432 2.603192 1807.399       76.70997 2085.283       117.4762 1600.838       101.2843 130.8373 3.711216 114.6492 3.651481 16.18811       5.206384 
1 1 1 -6  14 17 o 47.95196 3.832361 279.2383       44.06773 318.9915       68.06230 250.5451       57.82423 50.82366 5.535264 45.08026 5.301773 5.743401       7.664721 
1 1 1 -6  14 18 o 31.83814 4.741530 107.9149       40.06616 259.7957       66.09158 19.66609       50.37895 45.59426 5.991475 18.08202 7.350554 27.51224       9.483060 
1 1 1 -6  14 19 o 52.31779 4.286058 346.8038       48.76085 345.0327       91.23106 347.5121       57.69263 51.70784 7.292627 52.92773 4.505414 -1.219894      8.572116 
1 1 1 -6  14 20 o 50.26898 6.318973 354.6875       73.28912 244.0214       101.4130 475.6693       106.0343 40.57143 10.31028 59.96653 7.308614 -19.39510      12.63795 
1 1 1 -6  16 1  o 137.5056 2.691540 2287.796       89.51595 2235.960       124.8089 2342.709       128.4593 135.9027 3.795903 139.1084 3.816892 -3.205704      5.383080 
1 1 1 -6  16 2  o 311.9229 4.193446 11792.44       316.4603 11807.98       448.2366 11776.99       446.8514 312.1273 5.935718 311.7185 5.925135 0.4087830      8.386892 
1 1 1 -6  16 4  o 173.4047 2.887482 3637.814       121.0822 3759.529       174.4397 3524.648       168.2027 176.2008 4.091995 170.6086 4.075020 5.592224       5.774964 
1 1 1 -6  16 5  o 253.0333 5.078086 7758.355       310.8709 7758.355       310.8709 0.000000       0.000000 253.0333 5.078086 ?        ?        ?              ?        
1 1 1 -6  16 6  o 309.4138 4.163549 11599.91       311.4829 11337.29       431.3386 11886.09       450.2782 305.7648 5.830805 313.0628 5.944936 -7.297974      8.327098 
1 1 1 -6  16 7  o 381.0491 4.962337 17608.70       457.0322 18137.71       664.3369 17133.36       629.7328 386.4571 7.105339 375.6411 6.929166 10.81595       9.924675 
1 1 1 -6  16 8  o 24.31830 5.741074 57.99114       43.21439 109.5610       62.03587 9.375517       60.23275 29.60730 8.317007 19.02930 7.916255 10.57800       11.48215 
1 1 1 -6  16 9  o 58.60151 3.418965 415.7737       48.33056 461.9660       69.74282 373.0961       67.03693 61.73304 4.669598 55.46997 4.995211 6.263069       6.837930 
1 1 1 -6  16 10 o 250.2582 3.560220 7596.983       215.5595 7597.747       305.0206 7596.220       304.6739 250.2704 5.037528 250.2460 5.032293 0.2442932E-01  7.120439 
1 1 1 -6  16 11 o 299.4949 4.078975 10868.33       294.9655 11373.55       434.1828 10435.30       401.9660 305.9174 5.866325 293.0725 5.669073 12.84491       8.157950 
1 1 1 -6  16 12 o 116.8657 2.691392 1656.014       76.05679 1673.588       109.5891 1639.683       105.6407 117.4595 3.856355 116.2719 3.755381 1.187584       5.382784 
1 1 1 -6  16 13 o 219.3541 3.287809 5851.298       174.4573 5902.517       249.2941 5802.143       244.2237 220.2875 4.677566 218.4207 4.621593 1.866837       6.575617 
1 1 1 -6  16 14 o 30.59188 5.899255 120.4075       44.56001 112.9587       69.34871 125.6456       58.15384 29.90350 8.914349 31.28026 7.729117 -1.376762      11.79851 
1 1 1 -6  16 15 o 48.11080 3.969042 282.0962       45.91853 329.7145       68.20258 242.6151       62.10244 51.81610 5.440436 44.40550 5.780556 7.410606       7.938084 
1 1 1 -6  16 16 o 62.36275 3.473885 456.0528       51.15293 593.0611       84.09738 375.5951       64.44552 69.43467 5.006150 55.29084 4.817672 14.14383       6.947769 
1 1 1 -6  16 17 o 22.85828 5.773929 37.05657       43.28170 112.5738       70.26369 -9.118909      54.94314 29.29263 9.024104 16.42394 7.205454 12.86869       11.54786 
1 1 1 -6  16 18 o 44.91750 4.845984 273.9435       47.85520 214.5496       77.25369 310.9252       60.95956 39.89494 8.275193 49.94007 5.045338 -10.04514      9.691969 
1 1 1 -6  16 19 o 43.30688 4.814408 238.3185       49.06294 269.3768       80.97414 220.3018       61.67296 45.20418 7.403983 41.40957 6.155903 3.794613       9.628817 
1 1 1 -6  16 20 o 24.85604 7.231971 41.99537       76.05836 -49.24450      104.8407 143.3671       110.5085 19.40477 9.058379 30.30730 11.27614 -10.90253      14.46394 
1 1 1 -6  18 1  o 137.5184 2.771438 2287.846       92.15703 2194.906       128.0585 2387.686       132.7263 134.6240 3.931728 140.4127 3.907043 -5.788651      5.542875 
1 1 1 -6  18 2  o 118.8138 2.767110 1704.212       79.41330 1592.046       108.9323 1831.441       116.0169 114.6541 3.927036 122.9735 3.899485 -8.319450      5.534220 
1 1 1 -6  18 3  o 76.08720 3.165074 700.6180       58.22390 680.7426       80.53983 722.3766       84.26875 74.95902 4.441038 77.21538 4.510871 -2.256355      6.330149 
1 1 1 -6  18 4  o 390.8160 5.088264 18551.21       481.0673 18401.98       674.9339 18705.30       685.8615 389.2250 7.167343 392.4069 7.224329 -3.181854      10.17653 
1 1 1 -6  18 5  o 167.4151 2.938725 3395.063       119.0134 3416.431       169.9405 3374.496       166.7263 167.9304 4.182782 166.8997 4.129013 1.030655       5.877450 
1 1 1 -6  18 6  o 96.05254 2.892334 1119.089       67.05837 1211.517       95.11474 1027.740       94.55744 100.0062 3.931139 92.09885 4.243647 7.907379       5.784669 
1 1 1 -6  18 7  o 41.39433 4.983986 214.2454       47.79741 159.5536       66.88873 271.3123       68.32568 35.51244 7.979732 47.27622 5.973638 -11.76378      9.967972 
1 1 1 -6  18 8  o 462.7639 5.924619 26091.00       663.0602 26554.18       953.9167 25658.02       922.2999 466.7063 8.448206 458.8215 8.308566 7.884735       11.84924 
1 1 1 -6  18 9  o 97.93085 2.983688 1162.163       70.65254 1181.390       101.9651 1144.406       97.98904 98.70684 4.269745 97.15486 4.168797 1.551979       5.967377 
1 1 1 -6  18 10 o 21.53775 5.666402 18.14213       47.33169 90.34454       63.27210 -73.60370      71.32299 27.31333 8.588074 15.76216 7.394420 11.55117       11.33280 
1 1 1 -6  18 11 o 83.07132 3.131218 831.9296       62.48946 984.3165       92.50826 704.0378       84.74770 90.02872 4.247145 76.11391 4.602159 13.91482       6.262436 
1 1 1 -6  18 12 o 144.3804 2.807665 2518.208       97.74654 2724.628       145.6846 2349.205       131.8216 149.7205 4.021890 139.0402 3.918716 10.68027       5.615330 
1 1 1 -6  18 13 o 73.18531 3.318746 640.7885       58.02509 736.9956       91.32088 575.6473       75.14402 77.67672 4.859336 68.69390 4.521410 8.982819       6.637492 
1 1 1 -6  18 14 o 72.58735 3.358160 646.4559       58.27184 637.3147       89.20625 653.2598       76.96075 72.06759 5.116264 73.10711 4.351183 -1.039520      6.716320 
1 1 1 -6  18 15 o 54.28041 4.225846 358.6342       54.86341 444.1870       83.67772 294.1262       72.66064 59.89850 5.774196 48.66232 6.171691 11.23619       8.451693 
1 1 1 -6  18 16 o 101.3167 2.943444 1238.136       71.31230 1417.022       111.7374 1115.198       92.63028 107.3221 4.303354 95.31136 4.017039 12.01077       5.886889 
1 1 1 -6  18 17 o 99.05142 2.985214 1172.228       70.32425 1464.316       112.4135 984.4163       90.14129 108.8289 4.269450 89.27393 4.173465 19.55499       5.970428 
1 1 1 -6  18 18 o 93.61172 3.142215 1086.435       70.35772 1143.471       109.0448 1045.754       92.09151 95.51693 4.718697 91.70652 4.150659 3.810410       6.284431 
1 1 1 -6  18 19 o 35.20000 6.420302 180.2937       54.00391 204.9567       86.86781 164.7572       68.94656 36.75200 9.647272 33.64800 8.474154 3.103992       12.84060 
1 1 1 -6  18 20 o 29.06441 7.929912 146.6803       86.67731 223.7954       115.8947 48.79239       130.5746 34.30184 11.67292 23.82697 10.73671 10.47486       15.85982 
1 1 1 -6  20 1  o 48.26328 4.901148 291.9853       53.35176 192.5906       73.83903 400.5581       77.17293 39.06801 8.078749 57.45856 5.551469 -18.39054      9.802296 
1 1 1 -6  20 2  o 169.7063 2.968450 3488.654       121.8560 3553.693       174.4198 3426.642       170.3145 171.2501 4.209812 168.1626 4.186198 3.087494       5.936899 
1 1 1 -6  20 3  o 193.3508 3.111859 4526.704       145.4814 4409.449       201.5161 4654.336       210.2451 190.7412 4.366796 195.9604 4.434608 -5.219223      6.223718 
1 1 1 -6  20 4  o 354.6787 4.696202 15283.32       402.9064 15495.86       576.5843 15080.51       563.2413 357.0798 6.674138 352.2776 6.608565 4.802216       9.392404 
1 1 1 -6  20 5  o 207.2680 4.598686 5209.162       230.6048 5209.162       230.6048 0.000000       0.000000 207.2680 4.598686 ?        ?        ?              ?        
1 1 1 -6  20 6  o 106.5396 4.180405 1376.076       107.7536 0.000000       0.000000 1376.076       107.7536 ?        ?        106.5396 4.180405 ?              ?        
1 1 1 -6  20 7  o 99.13767 3.017691 1192.038       72.36278 1226.997       102.7663 1157.658       101.9118 100.5820 4.223070 97.69331 4.311789 2.888718       6.035383 
1 1 1 -6  20 8  o 19.96888 5.859566 -1.057975      49.06239 -46.35990      68.86026 45.65080       69.92131 16.67695 7.625284 23.26081 8.899052 -6.583853      11.71913 
1 1 1 -6  20 9  o 143.8923 2.861155 2505.586       99.37305 2759.141       144.7639 2279.639       136.6558 150.7642 3.968803 137.0204 4.122310 13.74384       5.722311 
1 1 1 -6  20 10 o 137.0147 2.800868 2270.377       92.62751 2455.924       136.6312 2112.573       126.0034 142.1691 3.972305 131.8604 3.949713 10.30867       5.601735 
1 1 1 -6  20 11 o 42.57650 5.713372 232.9762       56.85412 194.4620       84.27151 265.1507       77.02412 38.74427 9.138422 46.40874 6.860009 -7.664467      11.42674 
1 1 1 -6  20 12 o 103.7570 2.992416 1308.485       74.84178 1372.390       111.6648 1256.365       100.8448 106.0216 4.353312 101.4924 4.106932 4.529175       5.984832 
1 1 1 -6  20 13 o 76.01917 3.600665 715.0363       65.50507 672.7454       98.41420 748.6760       87.77270 73.88619 5.505442 78.15214 4.642119 -4.265945      7.201330 
1 1 1 -6  20 14 o 50.11001 4.500107 311.4229       54.36101 350.2353       80.13108 278.3302       73.99159 53.01315 6.247627 47.20687 6.478505 5.806274       9.000215 
1 1 1 -6  20 15 o 125.6846 2.953537 1906.405       88.90193 2310.887       136.5379 1608.721       117.1336 137.0641 4.117440 114.3050 4.235590 22.75906       5.907075 
1 1 1 -6  20 16 o 69.90079 3.813992 612.9714       64.16085 614.5984       95.74459 611.6453       86.44123 69.85525 5.665169 69.94633 5.108033 -0.9107971E-01 7.627984 
1 1 1 -6  20 17 o 19.47867 6.114003 -19.05919      57.98787 30.64592       88.37700 -56.63604      76.84204 22.43204 9.476612 16.52531 7.727738 5.906731       12.22801 
1 1 1 -6  20 18 o 41.15789 6.451728 245.0755       65.02075 348.1018       97.50501 162.5750       87.25319 49.95624 8.067424 32.35954 10.07054 17.59670       12.90346 
1 1 1 -6  22 1  o 29.15656 6.736695 100.2449       54.85214 111.0617       76.85506 89.01453       78.31070 30.22914 9.458655 28.08397 9.595107 2.145176       13.47339 
1 1 1 -6  22 2  o 196.0285 3.155575 4659.491       149.6071 4787.823       214.9759 4538.966       208.3331 198.6428 4.473162 193.4142 4.452127 5.228577       6.311149 
1 1 1 -6  22 3  o 157.9432 2.957486 3025.595       112.9952 3100.361       160.9976 2953.015       158.6273 159.8678 4.162518 156.0185 4.202421 3.849335       5.914972 
1 1 1 -6  22 4  f 202.7905 3.215581 4983.301       157.5611 4810.057       216.2267 5179.434       230.0670 199.0493 4.489999 206.5317 4.604318 -7.482346      6.431161 
1 1 1 -6  22 5  o 283.0363 3.944197 9740.962       269.9267 10004.87       390.0249 9498.359       373.9504 286.6983 5.622959 279.3743 5.532548 7.323944       7.888393 
1 1 1 -6  22 6  o 147.4421 2.903723 2639.629       103.5234 2638.402       144.0156 2640.940       148.9157 147.4158 4.037971 147.4684 4.173873 -0.5256653E-01 5.807446 
1 1 1 -6  22 7  o 157.8429 3.554312 2921.300       125.2341 3325.402       232.5045 2756.145       148.6384 165.0698 5.821856 150.6160 4.079038 14.45383       7.108625 
1 1 1 -6  22 8  o 51.74281 4.471826 328.7032       55.56699 322.3196       83.35138 333.8098       74.55029 51.24691 6.722685 52.23870 5.898677 -0.9917908     8.943651 
1 1 1 -6  22 9  o 50.53244 4.713431 314.0146       57.53266 339.7119       82.83675 290.0675       79.96609 52.54691 6.515888 48.51798 6.812411 4.028931       9.426863 
1 1 1 -6  22 10 o 131.2533 2.959475 2100.237       93.93514 2164.726       135.3506 2040.313       130.4724 133.1914 4.200315 129.3153 4.170290 3.876068       5.918950 
1 1 1 -6  22 11 o 91.50986 3.182297 1012.586       70.00726 1151.779       106.3871 906.2799       92.97356 96.97907 4.534281 86.04064 4.466358 10.93843       6.364594 
1 1 1 -6  22 12 o 107.4514 3.002620 1410.431       77.93057 1513.359       113.9410 1319.959       106.8239 111.1257 4.238020 103.7772 4.254656 7.348564       6.005241 
1 1 1 -6  22 13 o 67.35173 3.895866 559.1093       63.21389 619.3450       94.75835 510.8061       84.85513 70.58051 5.549201 64.12295 5.469685 6.457565       7.791731 
1 1 1 -6  22 14 o 49.52842 5.338982 322.1490       61.30961 300.1940       93.63123 338.6279       81.11848 47.36572 8.482098 51.69113 6.486365 -4.325417      10.67796 
1 1 1 -6  22 15 o 57.60955 4.638535 426.0861       64.63779 420.4015       90.29842 432.0599       92.56705 57.23536 6.520989 57.98375 6.598539 -0.7483978     9.277069 
1 1 1 -6  22 16 o 29.82621 6.911644 124.7239       60.95660 68.30290       86.41846 180.5924       85.99439 24.70004 9.766120 34.95238 9.782956 -10.25234      13.82329 
1 1 1 -6  22 17 o 19.84969 6.335979 -15.92901      65.36921 34.63802       96.73228 -58.43092      88.68330 22.37803 9.692307 17.32135 8.163193 5.056681       12.67196 
1 1 1 -6  24 1  o 96.83102 3.101298 1139.208       72.61584 1187.422       104.5525 1094.276       100.9318 98.80980 4.373528 94.85224 4.398233 3.957558       6.202596 
1 1 1 -6  24 2  o 63.80408 3.970611 497.1157       61.24523 521.3819       86.86565 473.1288       86.36419 65.36535 5.492856 62.24282 5.735115 3.122524       7.941222 
1 1 1 -6  24 3  o 136.9337 2.884575 2267.924       95.31141 2465.966       140.9584 2101.112       129.3676 142.4101 4.091173 131.4573 4.067603 10.95280       5.769150 
1 1 1 -6  24 4  o 131.7096 2.873531 2106.019       91.46229 2196.806       133.2912 2025.235       125.7338 134.3803 4.099806 129.0388 4.027444 5.341568       5.747062 
1 1 1 -6  24 5  o 33.54803 6.337154 146.2640       53.68285 104.0266       78.09041 184.1096       73.91923 29.27369 9.573813 37.82237 8.305431 -8.548685      12.67431 
1 1 1 -6  24 6  o 192.5004 3.162381 4511.412       147.0998 4714.564       214.6544 4331.534       201.9842 196.5624 4.513744 188.4383 4.430431 8.124146       6.324761 
1 1 1 -6  24 7  o 96.25870 3.204893 1105.995       73.73132 1316.386       115.6348 961.8560       95.71157 103.7788 4.605511 88.73862 4.458097 15.04014       6.409786 
1 1 1 -6  24 8  o 57.68715 4.442636 408.4927       61.74304 463.4022       91.57517 362.7265       83.60393 61.23544 6.181197 54.13887 6.382858 7.096565       8.885273 
1 1 1 -6  24 9  o 27.36049 6.887100 85.00104       57.44984 100.0462       83.99716 71.77712       78.74920 28.81446 9.933871 25.90653 9.541844 2.907927       13.77420 
1 1 1 -6  24 10 f 162.5639 3.081568 3179.729       119.8511 3685.398       187.3202 2829.247       155.9494 173.2327 4.469431 151.8951 4.243633 21.33768       6.163136 
1 1 1 -6  24 11 o 46.65411 5.623834 283.8829       61.53069 262.2093       90.36220 302.6203       84.01875 44.40187 8.722862 48.90635 7.100823 -4.504478      11.24767 
1 1 1 -6  24 12 o 49.05964 5.454670 313.4537       62.80127 363.2253       90.65590 267.5303       87.08075 53.36182 7.022038 44.75747 8.348932 8.604355       10.90934 
1 1 1 -6  24 13 o 100.9245 3.368494 1277.505       81.67204 1180.848       119.6632 1361.796       111.7462 97.11450 5.093007 104.7346 4.410019 -7.620049      6.736987 
1 1 1 -6  24 14 o 62.23735 4.553652 504.0194       67.85990 425.6984       95.88078 582.6273       96.05625 57.03030 6.949020 67.44440 5.886775 -10.41410      9.107305 
1 1 1 -6  24 15 o 77.36731 4.139183 778.0176       76.76134 770.6470       101.8373 787.7150       116.8104 77.31268 5.444448 77.42195 6.236131 -0.1092758     8.278366 
1 1 1 -6  24 16 o 27.64009 7.318692 115.3212       69.51228 177.6416       99.47181 55.84097       97.17870 32.13678 10.81488 23.14341 9.863643 8.993372       14.63738 
1 1 1 -6  26 1  o 103.4837 3.110987 1301.273       77.65876 1421.670       115.1570 1200.848       105.1730 107.8449 4.413555 99.12259 4.385602 8.722282       6.221974 
1 1 1 -6  26 2  o 67.30807 3.993716 555.7637       64.88438 611.4115       94.58297 506.2960       89.17628 70.50096 5.545179 64.11517 5.748919 6.385788       7.987433 
1 1 1 -6  26 3  o 91.56721 3.277148 1023.362       72.40473 1070.432       107.2169 983.8994       98.17149 93.47079 4.741164 89.66365 4.525501 3.807137       6.554296 
1 1 1 -6  26 4  o 77.98161 3.487327 746.5381       65.67035 744.1427       95.75372 748.6655       90.23552 77.82789 5.085318 78.13534 4.773399 -0.3074493     6.974654 
1 1 1 -6  26 5  o 112.2431 3.086536 1536.594       83.58911 1624.506       123.9078 1463.171       113.2372 115.1515 4.447610 109.3347 4.280839 5.816833       6.173072 
1 1 1 -6  26 6  o 53.09131 5.303261 367.0265       64.47954 305.5954       97.44466 414.8746       85.99966 48.38397 8.641500 57.79864 6.150023 -9.414669      10.60652 
1 1 1 -6  26 7  f 38.11703 6.952216 198.4868       65.13200 161.7549       97.02020 228.6224       87.87800 34.76736 10.58473 41.46671 9.016468 -6.699348      13.90443 
1 1 1 -6  26 8  o 71.36679 4.419293 660.4603       73.23740 484.4533       108.2028 809.2676       99.49140 61.86464 7.229257 80.86895 5.085123 -19.00431      8.838587 
1 1 1 -6  26 9  o 99.06788 3.366502 1207.586       80.31436 1287.438       120.7919 1144.311       107.5254 101.9200 4.898645 96.21573 4.619158 5.704300       6.733004 
1 1 1 -6  26 10 o 24.99160 6.869807 57.03180       60.28901 96.96040       90.88175 25.65025       80.56971 28.11603 10.26640 21.86718 9.131159 6.248857       13.73961 
1 1 1 -6  26 11 o 27.29837 7.068194 93.31754       60.90779 93.39812       88.87251 93.24617       83.63877 27.41833 10.12981 27.17840 9.860244 0.2399349      14.13639 
1 1 1 -6  26 12 o 97.60940 3.429098 1199.097       80.95528 1200.212       113.1760 1197.928       115.8469 97.70370 4.787855 97.51509 4.910324 0.1886139      6.858195 
1 1 1 -6  26 13 o 45.22147 6.300414 302.6475       67.36015 432.5920       95.59868 174.5195       94.92815 56.90997 6.943225 33.53297 10.51535 23.37699       12.60083 
1 1 1 -6  26 14 o 25.63351 7.156421 81.53997       72.27564 151.0942       96.12774 -8.914568      109.6231 30.30105 10.61669 20.96597 9.599128 9.335081       14.31284 
1 1 1 -6  28 1  o 67.00562 4.288711 564.3460       68.98926 519.6128       101.2542 603.1068       94.25272 64.35368 6.503354 69.65756 5.592723 -5.303886      8.577422 
1 1 1 -6  28 2  o 131.6097 3.056328 2120.567       97.06514 2269.721       143.7312 1995.509       131.6100 135.8186 4.374107 127.4008 4.269865 8.417786       6.112655 
1 1 1 -6  28 3  o 80.48476 3.795472 802.0154       73.60015 832.0231       109.9569 777.6579       99.06567 81.76846 5.558202 79.20104 5.169993 2.567421       7.590945 
1 1 1 -6  28 4  o 46.50968 6.083879 285.4275       66.11233 279.3137       101.2027 289.9789       87.31991 45.38109 9.521270 47.63827 7.576262 -2.257179      12.16776 
1 1 1 -6  28 5  o 94.35638 3.444873 1091.607       77.97108 1196.489       120.0884 1015.168       102.5195 98.14158 5.057616 90.57117 4.678579 7.570404       6.889745 
1 1 1 -6  28 6  o 57.87914 5.888720 453.0220       77.47684 511.9361       102.5784 374.7769       118.2156 63.44944 6.682298 52.30885 9.698195 11.14058       11.77744 
1 1 1 -6  28 7  o 75.10356 3.970983 709.2972       72.11537 741.9886       103.0380 677.9069       100.9667 76.83647 5.542780 73.37066 5.687917 3.465813       7.941965 
1 1 1 -6  28 8  o 39.83311 6.396931 203.3390       68.88374 392.9189       105.5223 62.56395       90.93080 54.56023 7.994030 25.10600 9.988913 29.45423       12.79386 
1 1 1 -6  28 9  o 64.18021 4.702056 533.4128       72.87405 551.9527       107.0039 517.3752       99.52137 65.12457 6.791292 63.23585 6.505050 1.888721       9.404112 
1 1 1 -6  28 10 o 56.81360 5.255695 436.7991       71.22898 484.1355       97.44532 382.4880       104.3776 60.71585 6.633711 52.91135 8.153724 7.804497       10.51139 
1 1 1 -6  28 11 o 50.27308 6.402192 374.8447       73.86345 411.7493       97.26336 324.5632       113.5305 54.96371 7.314269 45.58244 10.50970 9.381264       12.80438 
1 1 1 -6  28 12 o 36.16871 9.641401 275.7852       115.7536 300.5354       160.7596 249.1374       166.8087 37.84311 13.67918 34.49430 13.59067 3.348812       19.28280 
1 1 1 -5  1  2  o 133.6876 2.265077 2162.670       73.26048 2150.765       103.2634 2174.733       103.9520 133.3172 3.201531 134.0579 3.205074 -0.7407227     4.530155 
1 1 1 -5  1  3  o 303.7014 4.017585 11159.69       295.0196 11431.73       426.3398 10909.73       408.6628 307.2468 5.735432 300.1561 5.627502 7.090759       8.035171 
1 1 1 -5  1  5  f 352.1281 6.478096 15032.18       551.8745 14967.28       777.2668 15098.16       783.7098 351.3632 9.143480 352.8930 9.179308 -1.529785      12.95619 
1 1 1 -5  1  6  o 347.1749 6.411802 14604.40       538.5555 14598.45       761.2244 14610.35       762.0414 347.1044 9.064635 347.2454 9.070678 -0.1410217     12.82360 
1 1 1 -5  1  7  o 593.9985 14.94836 42819.75       2148.232 0.000000       0.000000 42819.75       2148.232 ?        ?        593.9985 14.94836 ?              ?        
1 1 1 -5  1  8  o 680.5377 17.10224 56240.34       2815.837 0.000000       0.000000 56240.34       2815.837 ?        ?        680.5377 17.10224 ?              ?        
1 1 1 -5  1  9  o 216.5019 4.397228 5671.534       230.2743 5769.185       329.9670 5578.822       321.5116 218.3173 6.247122 214.6865 6.189986 3.630875       8.794456 
1 1 1 -5  1  10 o 619.7100 11.23714 46590.06       1684.794 0.000000       0.000000 46590.06       1684.794 ?        ?        619.7100 11.23714 ?              ?        
1 1 1 -5  3  1  o 251.5794 4.879973 7662.402       297.0262 7662.402       297.0262 0.000000       0.000000 251.5794 4.879973 ?        ?        ?              ?        
1 1 1 -5  3  2  o 469.1661 7.257552 26771.42       778.9516 26882.05       958.0390 26555.62       1338.019 470.8631 8.409811 467.4692 11.83061 3.393921       14.51510 
1 1 1 -5  3  3  o 160.6236 2.532346 3120.391       98.37640 3051.219       136.9887 3194.053       141.3649 158.7868 3.565892 162.4603 3.596599 -3.673523      5.064692 
1 1 1 -5  3  4  o 204.8551 2.962913 5078.805       146.8439 5108.846       208.6262 5049.310       206.7242 205.4553 4.197098 204.2550 4.183275 1.200333       5.925827 
1 1 1 -5  3  5  o 562.3503 7.027130 38339.55       955.9841 38637.40       1362.642 38050.86       1341.536 564.4956 9.977433 560.2050 9.898132 4.290649       14.05426 
1 1 1 -5  3  6  o 603.8940 7.523354 44203.83       1099.188 44279.20       1557.703 44129.08       1551.289 604.4053 10.65256 603.3827 10.62668 1.022583       15.04671 
1 1 1 -5  3  7  o 328.2339 4.300725 13037.60       341.4948 13158.18       487.1397 12921.08       478.8599 329.7254 6.106590 326.7425 6.057599 2.982941       8.601450 
1 1 1 -5  3  8  o 351.8549 4.571230 14963.32       388.7227 15430.59       565.7134 14545.33       535.0416 357.0490 6.548870 346.6608 6.379410 10.38815       9.142460 
1 1 1 -5  3  9  o 638.9474 7.958125 49487.40       1230.134 49784.88       1751.114 49197.58       1728.452 640.8382 11.29441 637.0566 11.21442 3.781555       15.91625 
1 1 1 -5  3  10 o 348.4717 5.209028 14931.69       389.1855 15198.27       457.1412 14229.63       741.8654 354.3246 5.332695 342.6188 8.949763 11.70581       10.41806 
1 1 1 -5  3  11 o 213.6301 3.577136 5281.166       152.7592 5102.882       171.4459 5967.876       336.4797 205.3340 3.451150 221.9262 6.266831 -16.59224      7.154272 
1 1 1 -5  3  12 o 223.6290 3.663373 6168.383       175.6601 6301.079       206.5463 5821.535       333.9331 228.1368 3.742138 219.1212 6.299016 9.015579       7.326746 
1 1 1 -5  3  13 o 196.3735 4.098232 4674.667       194.6512 4616.300       271.4289 4736.466       279.2965 195.1157 5.749918 197.6313 5.841272 -2.515640      8.196464 
1 1 1 -5  3  14 o 315.3300 5.934806 12093.81       452.5739 11877.45       629.0349 12326.00       651.6356 312.4238 8.322013 318.2362 8.463557 -5.812408      11.86961 
1 1 1 -5  3  15 o 250.2265 4.930659 7593.328       298.4974 0.000000       0.000000 7593.328       298.4974 ?        ?        250.2265 4.930659 ?              ?        
1 1 1 -5  5  1  o 273.0103 5.230140 9023.857       345.4575 0.000000       0.000000 9023.857       345.4575 ?        ?        273.0103 5.230140 ?              ?        
1 1 1 -5  5  2  o 120.3643 2.242172 1746.285       65.16346 1894.709       95.48540 1616.902       89.15050 125.1330 3.154008 115.5955 3.187721 9.537437       4.484344 
1 1 1 -5  5  3  o 289.2643 3.870439 10117.09       270.6238 10427.66       393.0039 9837.030       373.2031 293.4779 5.535018 285.0507 5.411540 8.427216       7.740878 
1 1 1 -5  5  4  o 515.0161 6.467517 32145.38       805.7914 32404.18       1148.759 31894.71       1130.581 517.0524 9.183160 512.9797 9.109594 4.072632       12.93503 
1 1 1 -5  5  5  o 188.4873 3.991556 4298.984       182.0231 4298.984       182.0231 0.000000       0.000000 188.4873 3.991556 ?        ?        ?              ?        
1 1 1 -5  5  6  o 254.1681 3.492292 7815.370       214.7126 7926.829       307.1878 7708.903       300.2307 255.9390 4.960954 252.3971 4.916640 3.541901       6.984584 
1 1 1 -5  5  7  f 91.09639 2.106482 1001.375       46.36534 1066.811       67.54138 943.0554       63.76265 93.90366 2.972933 88.28912 2.985086 5.614548       4.212965 
1 1 1 -5  5  8  f 786.4006 9.711089 74973.46       1846.641 76445.34       2664.321 73612.69       2561.785 793.8011 13.87307 779.0002 13.59261 14.80090       19.42218 
1 1 1 -5  5  9  o 510.1636 6.413958 31506.41       791.1210 32232.98       1144.504 30841.60       1094.780 515.7822 9.171671 504.5449 8.968604 11.23734       12.82792 
1 1 1 -5  5  10 o 954.7333 11.81578 111187.0       2727.550 109060.0       3777.865 113502.9       3942.047 945.3014 16.51863 964.1652 16.89927 -18.86383      23.63156 
1 1 1 -5  5  11 o 318.8233 4.210086 12313.38       324.6697 12502.63       465.3178 12133.83       453.2256 321.2065 5.987741 316.4400 5.919987 4.766541       8.420172 
1 1 1 -5  5  12 o 257.8476 3.537095 8055.303       220.6538 8069.520       312.3672 8041.143       311.7371 258.0746 5.002853 257.6205 5.001563 0.4541016      7.074190 
1 1 1 -5  5  13 o 212.4518 3.560565 5470.015       157.7580 5469.449       181.7630 5471.743       317.6234 212.5338 3.534883 212.3698 6.181837 0.1640778      7.121130 
1 1 1 -5  5  14 o 241.5784 3.896439 7204.430       200.5688 7350.200       234.9341 6812.612       385.1715 246.3257 3.942158 236.8311 6.722228 9.494614       7.792879 
1 1 1 -5  5  15 o 93.34335 2.549243 1007.180       46.73433 974.8847       52.12879 1139.441       105.4926 89.74302 2.400903 96.94369 4.497802 -7.200668      5.098486 
1 1 1 -5  5  16 o 173.9182 3.827186 3648.124       160.2305 3406.306       213.9226 3957.168       241.8367 167.4235 5.281266 180.4129 5.540545 -12.98938      7.654372 
1 1 1 -5  5  17 f 14.39314 4.262083 -7.116276      24.31712 -23.23617      29.52846 26.85306       42.86504 10.68356 4.924616 18.10272 6.957697 -7.419158      8.524165 
1 1 1 -5  5  18 o 31.03074 3.562933 117.0806       26.74866 0.000000       0.000000 117.0806       26.74866 ?        ?        31.03074 3.562933 ?              ?        
1 1 1 -5  7  1  o 203.0463 2.986850 4949.156       146.0195 4594.346       195.1293 5400.706       220.1290 194.8441 4.139356 211.2484 4.307066 -16.40428      5.973699 
1 1 1 -5  7  2  o 467.9601 8.362439 26531.64       946.7690 0.000000       0.000000 26531.64       946.7690 ?        ?        467.9601 8.362439 ?              ?        
1 1 1 -5  7  3  o 289.7197 3.890866 10123.23       272.0347 10659.78       402.5257 9672.150       369.0771 296.7572 5.606477 282.6823 5.396550 14.07486       7.781731 
1 1 1 -5  7  4  o 422.3386 5.385230 21598.07       550.2589 21585.73       777.6205 21610.46       778.7477 422.2179 7.612525 422.4593 7.619203 -0.2413940     10.77046 
1 1 1 -5  7  5  f 182.5560 2.800952 4032.341       123.7095 4044.012       175.1818 4020.731       174.7223 182.8195 3.960629 182.2925 3.961661 0.5270081      5.601905 
1 1 1 -5  7  6  f 616.9425 7.675008 46073.59       1144.769 47128.79       1656.871 45109.76       1583.514 623.6844 10.98048 610.2006 10.72623 13.48383       15.35002 
1 1 1 -5  7  7  o 477.5233 6.032658 27599.69       696.6694 28077.17       1002.683 27154.04       968.6755 481.5097 8.607089 473.5369 8.455167 7.972778       12.06532 
1 1 1 -5  7  8  o 560.8020 7.010303 38104.40       950.9938 37702.25       1330.501 38524.45       1359.794 557.7830 9.859338 563.8211 9.968493 -6.038147      14.02061 
1 1 1 -5  7  9  o 227.6163 3.244785 6268.681       178.6419 6174.698       249.2707 6367.919       256.1450 225.8637 4.561656 229.3688 4.615823 -3.505127      6.489570 
1 1 1 -5  7  10 f 358.8955 4.664045 15600.85       404.7863 15308.92       562.0497 15915.43       583.4589 355.4156 6.536360 362.3754 6.655018 -6.959808      9.328091 
1 1 1 -5  7  11 o 231.8125 3.277736 6507.926       183.8181 6463.410       258.2867 6553.614       261.6624 231.0102 4.621346 232.6149 4.649448 -1.604691      6.555472 
1 1 1 -5  7  12 o 108.2481 2.289076 1417.901       59.92987 1469.344       85.65810 1368.575       83.87724 110.1711 3.213648 106.3250 3.260666 3.846092       4.578152 
1 1 1 -5  7  13 f 264.7615 3.628577 8489.463       232.2697 8724.933       336.1982 8274.443       321.2679 268.2648 5.179996 261.2582 5.082708 7.006622       7.257154 
1 1 1 -5  7  14 o 133.9638 2.421936 2173.354       78.49546 2189.156       111.3806 2157.761       110.6418 134.4476 3.424161 133.4799 3.426107 0.9676208      4.843871 
1 1 1 -5  7  15 o 114.2089 2.811042 1598.685       64.75983 1613.314       73.69258 1549.078       135.7021 115.4332 2.638705 112.9846 4.964380 2.448555       5.622085 
1 1 1 -5  7  16 o 170.2030 3.149053 3677.588       115.0012 3889.977       136.7118 3163.593       212.6765 179.1516 3.154156 161.2544 5.451371 17.89714       6.298106 
1 1 1 -5  7  17 o 77.98772 2.717880 751.4647       41.65128 760.6841       46.97247 717.5491       90.09333 79.22758 2.450556 76.74786 4.852036 2.479721       5.435760 
1 1 1 -5  7  18 o 37.49772 4.296321 166.0688       37.73774 147.1743       46.82847 201.0708       63.73650 34.62723 5.589718 40.36821 6.525990 -5.740978      8.592642 
1 1 1 -5  7  19 o 41.30355 4.047525 203.5954       39.19062 183.5812       48.76577 240.0952       65.85529 38.60983 5.220534 43.99728 6.186749 -5.387451      8.095051 
1 1 1 -5  7  20 o 32.57624 4.713120 131.7289       34.85022 113.3254       43.37236 165.2588       58.54342 29.55721 6.260042 35.59527 7.047401 -6.038067      9.426239 
1 1 1 -5  9  1  o 656.1272 8.152189 51859.50       1287.586 55286.59       1941.373 49168.11       1720.426 675.3191 11.88222 636.9352 11.16448 38.38385       16.30438 
1 1 1 -5  9  2  o 442.0181 5.622488 23640.07       600.9529 24136.19       867.1086 23181.53       833.6312 446.4736 8.027410 437.5625 7.874655 8.911041       11.24498 
1 1 1 -5  9  3  o 690.0872 8.555197 57564.79       1425.206 55506.16       1939.680 59980.23       2101.071 676.7427 11.84689 703.4315 12.34572 -26.68878      17.11039 
1 1 1 -5  9  4  o 551.0166 6.899409 36626.24       916.8270 38547.21       1363.838 35042.38       1238.398 564.1290 9.992682 537.9042 9.515969 26.22473       13.79882 
1 1 1 -5  9  5  o 263.2828 3.628979 8380.809       231.0163 8594.509       333.9108 8184.604       319.9490 266.4983 5.178854 260.0672 5.085021 6.431091       7.257958 
1 1 1 -5  9  6  o 421.9934 5.390363 21529.85       549.7052 22187.87       800.8044 20943.51       755.9355 428.0766 7.732193 415.9102 7.512473 12.16644       10.78073 
1 1 1 -5  9  7  o 210.8038 3.085317 5368.176       157.1913 5580.597       228.7794 5178.217       216.3456 214.7465 4.403403 206.8611 4.322820 7.885452       6.170635 
1 1 1 -5  9  8  o 270.7108 3.703159 8871.822       242.5374 8902.521       343.4326 8841.277       342.5685 271.1781 5.234613 270.2435 5.239500 0.9346008      7.406317 
1 1 1 -5  9  9  o 565.8730 7.093100 38819.93       969.5300 37597.01       1326.689 40221.60       1420.342 556.3687 9.856075 575.3774 10.20324 -19.00879      14.18620 
1 1 1 -5  9  10 o 245.9766 3.436593 7322.788       204.4144 7508.526       294.7853 7150.752       283.7042 248.9765 4.893789 242.9767 4.826128 5.999802       6.873186 
1 1 1 -5  9  11 o 125.2457 2.409454 1899.191       73.00337 1911.941       102.7586 1886.197       103.7331 125.6709 3.379721 124.8204 3.435019 0.8505096      4.818908 
1 1 1 -5  9  12 o 64.18045 2.535991 498.9978       39.21183 560.8321       56.20893 440.3778       54.72852 68.05830 3.413673 60.30260 3.751244 7.755692       5.071981 
1 1 1 -5  9  13 o 215.2770 3.149016 5609.458       163.8920 5799.054       237.3957 5436.804       226.5416 218.7454 4.485714 211.8087 4.420811 6.936707       6.298031 
1 1 1 -5  9  14 o 375.0853 4.880101 17090.12       442.4624 17562.14       642.2803 16663.78       610.4081 379.9840 6.986456 370.1865 6.815495 9.797516       9.760201 
1 1 1 -5  9  15 o 184.3492 2.853904 4103.990       126.9640 4372.357       187.9218 3878.613       172.2132 189.8633 4.091039 178.8350 3.980261 11.02834       5.707809 
1 1 1 -5  9  16 o 82.93494 2.342425 832.6372       46.95461 871.5721       68.25552 797.6582       64.69512 84.77103 3.328036 81.09884 3.297271 3.672188       4.684850 
1 1 1 -5  9  17 o 34.08631 4.716809 127.9006       30.42974 117.3805       33.49397 177.6324       72.82376 31.03397 4.460948 37.13866 8.312226 -6.104694      9.433619 
1 1 1 -5  9  18 o 70.30511 3.416237 655.4133       51.22668 730.2761       61.85571 491.9691       91.39693 77.46324 3.300516 63.14700 5.982416 14.31625       6.832474 
1 1 1 -5  9  19 o 100.1635 3.097054 1285.752       67.96517 1373.498       82.19991 1096.133       120.8366 106.1417 3.200981 94.18533 5.302894 11.95634       6.194107 
1 1 1 -5  9  20 o 82.06470 3.556358 811.1599       68.91160 727.1862       86.78793 954.4319       113.3623 76.63857 4.680688 87.49083 5.355548 -10.85226      7.112716 
1 1 1 -5  11 1  o 375.4778 4.868744 17018.04       441.3616 17773.34       650.1209 16372.31       601.1147 383.1796 7.012767 367.7760 6.755720 15.40359       9.737488 
1 1 1 -5  11 2  o 209.3370 3.107282 5293.903       157.2241 5108.326       216.6650 5500.316       228.5039 205.4686 4.358540 213.2053 4.429893 -7.736725      6.214565 
1 1 1 -5  11 3  o 1083.083 13.32265 142285.2       3483.867 137394.5       4747.748 147990.7       5128.067 1063.081 18.45946 1103.084 19.21510 -40.00354      26.64529 
1 1 1 -5  11 5  o 393.3621 5.069464 18731.16       482.3633 18941.86       690.2791 18530.08       674.3301 395.5213 7.213608 391.2029 7.124725 4.318329       10.13893 
1 1 1 -5  11 6  o 531.3833 6.677553 34202.42       857.9574 33522.82       1188.736 34941.34       1239.527 525.8894 9.343051 536.8772 9.542864 -10.98779      13.35511 
1 1 1 -5  11 7  o 429.9535 7.765767 22406.95       807.8079 0.000000       0.000000 22406.95       807.8079 ?        ?        429.9535 7.765767 ?              ?        
1 1 1 -5  11 8  o 312.4020 8.331639 11842.95       629.7188 0.000000       0.000000 11842.95       629.7188 ?        ?        312.4020 8.331639 ?              ?        
1 1 1 -5  11 9  o 190.6773 3.556396 4469.401       157.4150 4164.188       257.6510 4651.185       198.8418 185.3654 5.745143 195.9892 4.193465 -10.62384      7.112793 
1 1 1 -5  11 10 o 250.3633 4.287017 7560.933       243.4080 7486.637       295.7736 7716.836       428.4536 248.5733 4.918160 252.1533 7.023230 -3.580002      8.574034 
1 1 1 -5  11 11 o 259.7968 4.432515 8045.121       257.8426 7818.481       308.5369 8569.899       469.4922 253.9798 5.021179 265.6140 7.305924 -11.63420      8.865030 
1 1 1 -5  11 12 o 301.1268 4.051738 11000.98       295.1799 10968.54       416.1133 11033.83       418.7945 300.6815 5.720086 301.5720 5.739943 -0.8904724     8.103477 
1 1 1 -5  11 13 o 61.95929 2.896269 462.1639       43.22582 497.2954       64.94200 434.2190       57.91994 64.05688 4.190421 59.86170 3.999233 4.195175       5.792538 
1 1 1 -5  11 14 o 100.5215 2.499399 1221.606       60.71066 1287.757       88.52510 1162.867       83.41801 103.0839 3.549551 97.95922 3.519753 5.124657       4.998797 
1 1 1 -5  11 15 o 141.1671 2.584162 2413.754       88.18629 2512.231       127.8884 2324.482       121.7653 143.9060 3.673246 138.4282 3.635772 5.477783       5.168324 
1 1 1 -5  11 16 o 82.05324 2.535527 818.4782       50.15192 809.6003       73.92973 826.0467       68.26011 81.62556 3.743610 82.48092 3.420670 -0.8553543     5.071055 
1 1 1 -5  11 17 o 124.4363 2.515033 1883.502       75.62323 1905.657       109.9908 1863.640       104.1434 125.1134 3.633710 123.7593 3.478177 1.354080       5.030066 
1 1 1 -5  11 18 o 36.53043 5.407290 184.5430       37.93580 194.2287       42.35630 145.2707       85.28944 39.81466 4.397164 33.24620 9.880286 6.568455       10.81458 
1 1 1 -5  11 19 o 18.63684 5.796681 0.7019345      43.75790 12.09365       49.02827 -43.90244      97.01543 17.20611 7.148643 20.06756 9.127045 -2.861450      11.59336 
1 1 1 -5  11 20 f 30.44748 5.820199 115.6735       35.37476 111.5585       38.59382 137.2992       88.47549 29.33540 5.642691 31.55956 10.18130 -2.224159      11.64040 
1 1 1 -5  13 1  f 448.1847 5.723670 24289.71       619.8917 25109.38       903.8216 23561.66       851.8073 455.3049 8.204991 441.0646 7.982462 14.24030       11.44734 
1 1 1 -5  13 2  o 111.0398 3.656364 1491.927       98.22693 1491.927       98.22693 0.000000       0.000000 111.0398 3.656364 ?        ?        ?              ?        
1 1 1 -5  13 3  o 226.8313 3.295027 6225.495       180.7976 6323.660       258.5768 6131.601       252.8908 228.5799 4.675729 225.0827 4.643961 3.497147       6.590055 
1 1 1 -5  13 4  f 117.3371 3.609202 1666.104       102.4587 1666.104       102.4587 0.000000       0.000000 117.3371 3.609202 ?        ?        ?              ?        
1 1 1 -5  13 5  o 203.6061 3.084750 5018.196       151.9514 5056.271       214.9810 4980.184       214.8027 204.3783 4.347734 202.8338 4.377206 1.544464       6.169500 
1 1 1 -5  13 6  o 144.3650 2.609460 2521.346       91.11040 2475.082       126.8511 2570.645       130.9456 142.9984 3.666578 145.7317 3.713937 -2.733322      5.218919 
1 1 1 -5  13 7  o 168.8775 2.768559 3452.550       113.1128 3494.574       160.5618 3411.143       159.3761 169.8980 3.906173 167.8570 3.924473 2.041016       5.537118 
1 1 1 -5  13 8  o 170.4537 3.394619 3477.482       130.7810 3637.121       233.0680 3404.117       157.9997 173.2338 5.560935 167.6736 3.894837 5.560135       6.789237 
1 1 1 -5  13 9  o 265.8824 3.670367 8567.850       236.0998 8599.910       334.9428 8536.188       332.8582 266.3761 5.197243 265.3887 5.184113 0.9874268      7.340733 
1 1 1 -5  13 10 o 64.13699 2.879942 496.7976       44.07747 616.9484       64.61708 392.2390       60.27871 71.37480 3.741968 56.89918 4.378805 14.47562       5.759883 
1 1 1 -5  13 11 o 293.1702 3.979504 10426.77       282.2559 10361.84       397.7202 10492.65       400.6360 292.2511 5.624958 294.0893 5.630778 -1.838165      7.959008 
1 1 1 -5  13 12 o 155.2740 3.859701 2921.190       144.9955 0.000000       0.000000 2921.190       144.9955 ?        ?        155.2740 3.859701 ?              ?        
1 1 1 -5  13 13 o 187.8808 2.960045 4279.697       134.5345 4335.990       192.0429 4225.445       188.5268 189.0926 4.197798 186.6691 4.174440 2.423447       5.920090 
1 1 1 -5  13 14 f 115.3553 2.584738 1613.989       72.13004 1619.345       102.7826 1608.792       101.2493 115.5420 3.676863 115.1686 3.633754 0.3734360      5.169477 
1 1 1 -5  13 15 o 131.2073 2.611102 2080.106       82.65336 2240.030       122.6164 1946.923       111.8967 135.7999 3.732045 126.6147 3.652843 9.185143       5.222205 
1 1 1 -5  13 16 o 93.11237 3.280218 1084.898       70.02311 1149.354       87.71997 971.6836       116.2563 97.17443 3.731163 89.05031 5.396086 8.124123       6.560436 
1 1 1 -5  13 17 o 19.11447 5.417306 -6.517345      37.17832 73.32540       70.56080 -37.20213      43.74287 25.50373 9.080555 12.72522 5.910361 12.77851       10.83461 
1 1 1 -5  13 18 f 59.72758 3.134908 429.7557       44.23777 478.6531       72.14942 400.2992       55.99907 62.31641 4.785509 57.13876 4.050864 5.177650       6.269816 
1 1 1 -5  13 19 o 40.51244 4.195910 192.1249       38.17190 307.9763       64.19057 128.7433       47.47905 49.65710 5.343030 31.36777 6.471063 18.28933       8.391819 
1 1 1 -5  13 20 o 23.29185 6.126514 37.10267       40.45106 12.76149       45.62846 126.4723       87.42992 16.50521 6.880119 30.07849 10.13907 -13.57329      12.25303 
1 1 1 -5  15 1  o 38.43471 5.052191 184.0844       45.06320 177.1633       60.57536 192.6612       67.43272 37.64290 6.905856 39.22652 7.376158 -1.583626      10.10438 
1 1 1 -5  15 2  o 458.7966 5.855509 25501.56       649.1758 24816.09       892.1234 26273.02       946.4279 452.2744 8.153060 465.3188 8.406876 -13.04449      11.71102 
1 1 1 -5  15 4  o 257.1859 3.620507 8003.397       225.1263 7783.365       311.4592 8244.124       325.7766 253.4911 5.078507 260.8807 5.161497 -7.389572      7.241014 
1 1 1 -5  15 5  o 213.0360 3.186763 5491.507       164.1670 5346.050       227.7830 5648.727       236.8146 210.1044 4.481091 215.9675 4.532291 -5.863052      6.373527 
1 1 1 -5  15 6  o 221.4383 3.258618 5938.669       174.5610 5876.194       244.8129 6003.286       248.9727 220.2546 4.594170 222.6219 4.622550 -2.367310      6.517236 
1 1 1 -5  15 7  o 105.3985 2.590763 1345.401       66.02400 1354.904       91.97012 1335.297       94.84009 105.7845 3.593539 105.0125 3.732919 0.7719727      5.181526 
1 1 1 -5  15 8  o 316.6643 4.239510 12162.47       324.7746 12049.87       455.7769 12278.63       462.9073 315.1782 5.977147 318.1505 6.013941 -2.972351      8.479019 
1 1 1 -5  15 9  f 87.98953 2.745581 937.4708       58.43053 970.1709       83.37228 905.9048       81.91354 89.49799 3.850403 86.48109 3.915004 3.016899       5.491162 
1 1 1 -5  15 10 o 174.6048 2.893878 3693.174       122.2322 3739.983       174.5416 3648.124       171.2307 175.6893 4.106306 173.5202 4.078770 2.169128       5.787755 
1 1 1 -5  15 11 o 102.6872 2.724741 1277.781       67.67052 1321.179       96.04507 1235.001       95.35973 104.4210 3.801763 100.9534 3.904286 3.467537       5.449482 
1 1 1 -5  15 12 o 184.6731 2.974345 4134.637       132.8488 4202.651       190.8261 4070.670       185.0596 186.1426 4.237306 183.2035 4.175183 2.939041       5.948690 
1 1 1 -5  15 13 o 82.75441 2.914229 827.8431       58.09691 943.5078       84.96317 726.2693       79.61977 88.17014 3.982969 77.33868 4.255219 10.83146       5.828458 
1 1 1 -5  15 14 o 87.03853 2.749359 912.8984       57.65453 1019.290       86.21508 826.8312       77.54411 91.58755 3.890850 82.48950 3.885509 9.098045       5.498717 
1 1 1 -5  15 15 o 92.07674 2.743291 1025.588       60.91133 1134.203       90.39052 935.2374       82.44060 96.51469 3.871035 87.63879 3.888145 8.875893       5.486582 
1 1 1 -5  15 16 o 34.82986 4.878985 140.6630       41.82744 285.5839       67.05444 48.35659       53.51533 48.11504 5.760290 21.54467 7.876359 26.57037       9.757970 
1 1 1 -5  15 17 o 61.54373 3.463968 462.4686       50.45417 487.6713       81.05475 446.5261       64.46636 62.79351 5.335332 60.29396 4.419337 2.499550       6.927937 
1 1 1 -5  15 18 o 92.65198 2.781035 1024.962       61.21724 1221.646       98.66091 901.8364       78.06118 99.60646 4.094070 85.69749 3.764997 13.90897       5.562069 
1 1 1 -5  15 19 o 72.97201 3.236264 643.9091       55.86890 758.5059       91.34707 575.4240       70.61658 77.87303 4.848475 68.07098 4.287877 9.802048       6.472527 
1 1 1 -5  15 20 o 19.96112 6.452463 -28.09918      69.91582 -4.425937      91.70247 -60.96372      108.0478 20.39422 9.108363 19.52802 9.141927 0.8661995      12.90493 
1 1 1 -5  17 1  o 220.7002 3.285723 5887.860       175.2052 6134.006       256.0571 5671.164       240.2524 225.0246 4.703321 216.3758 4.589410 8.648804       6.571446 
1 1 1 -5  17 2  o 337.7070 4.483760 13810.05       365.9214 14275.98       533.2018 13395.26       503.0919 343.0710 6.423997 332.3430 6.256890 10.72803       8.967520 
1 1 1 -5  17 3  o 344.6053 4.567320 14344.45       379.6631 13649.82       513.4466 15182.45       563.9493 335.4595 6.326344 353.7512 6.589310 -18.29163      9.134640 
1 1 1 -5  17 4  o 114.8966 2.653476 1598.060       73.73279 1582.284       102.6649 1614.865       105.9610 114.3124 3.712158 115.4808 3.792575 -1.168419      5.306952 
1 1 1 -5  17 5  o 56.72896 3.719326 393.8621       50.28250 315.3880       71.02119 472.7308       71.19952 50.99706 5.756261 62.46086 4.711582 -11.46380      7.438652 
1 1 1 -5  17 6  o 199.1135 3.098500 4802.699       149.2509 4755.565       209.3941 4851.376       212.7923 198.1216 4.368480 200.1055 4.395360 -1.983948      6.197001 
1 1 1 -5  17 7  o 219.6567 3.267803 5840.970       173.5462 6022.000       251.0874 5675.380       240.1411 222.9089 4.655810 216.4046 4.586673 6.504272       6.535605 
1 1 1 -5  17 8  o 20.71236 5.736291 23.57142       44.16442 58.28801       60.02890 -17.39386      65.20786 23.58359 8.377783 17.84114 7.837914 5.742451       11.47258 
1 1 1 -5  17 9  o 292.9053 4.013628 10401.79       284.1917 10714.06       412.1932 10118.85       392.3557 297.0798 5.734894 288.7307 5.616744 8.349091       8.027255 
1 1 1 -5  17 10 f 122.2445 2.756176 1810.798       81.39503 1947.509       116.4128 1680.040       113.8499 126.7636 3.795803 117.7254 3.997238 9.038185       5.512352 
1 1 1 -5  17 11 o 323.3973 4.349353 12694.75       339.5335 13325.01       501.0522 12159.58       461.7035 330.7572 6.261400 316.0375 6.038406 14.71970       8.698706 
1 1 1 -5  17 12 o 147.2568 2.794370 2622.359       99.30765 2776.128       146.9057 2492.960       134.7631 151.2079 4.015704 143.3057 3.886918 7.902237       5.588739 
1 1 1 -5  17 13 o 68.88558 3.365493 573.3177       55.84674 644.4332       83.48329 515.7165       75.13342 72.72032 4.745057 65.05084 4.773951 7.669479       6.730986 
1 1 1 -5  17 14 o 54.00677 3.969527 352.6838       51.41375 398.7072       79.38426 319.4305       67.47810 56.97669 5.758838 51.03685 5.464830 5.939842       7.939054 
1 1 1 -5  17 15 o 21.48691 5.883101 37.49327       45.08643 -2.887089      72.72041 62.70763       57.46392 19.52197 8.429510 23.45185 8.208950 -3.929886      11.76620 
1 1 1 -5  17 16 o 65.04882 3.508975 508.7275       54.50248 612.3322       85.79376 438.6236       70.57279 70.44395 5.033959 59.65369 4.889874 10.79026       7.017949 
1 1 1 -5  17 17 o 28.11400 6.303501 101.1744       47.10938 118.2827       76.23125 90.60386       59.92083 29.81903 9.432882 26.40898 8.364042 3.410042       12.60700 
1 1 1 -5  17 18 o 21.57605 5.793431 16.27868       47.10532 107.6289       73.13948 -48.47134      61.57677 28.23717 9.266838 14.91494 6.955653 13.32223       11.58686 
1 1 1 -5  17 19 o 21.01129 6.170839 33.09835       50.13803 35.28037       83.13073 31.85084       62.85730 22.03823 9.244137 19.98435 8.176977 2.053885       12.34168 
1 1 1 -5  17 20 o 31.73312 7.679862 165.0999       85.05379 276.3831       112.4049 16.03807       130.0929 40.26426 11.15478 23.20199 10.55898 17.06227       15.35972 
1 1 1 -5  19 1  o 221.0672 3.322209 5900.894       177.2980 5602.026       241.1774 6252.337       261.5322 215.0043 4.636467 227.1302 4.759354 -12.12589      6.644417 
1 1 1 -5  19 2  o 148.2592 2.825993 2657.266       101.2514 2552.768       139.1937 2774.693       147.5541 145.1715 3.963108 151.3468 4.029728 -6.175354      5.651985 
1 1 1 -5  19 3  o 257.6602 3.655588 8032.400       227.5758 8374.706       332.5241 7730.804       312.1252 262.8060 5.229806 252.5144 5.109052 10.29153       7.311175 
1 1 1 -5  19 4  o 250.2149 3.581633 7589.585       216.7970 7709.998       309.1779 7473.111       304.0802 252.1667 5.067788 248.2632 5.062598 3.903488       7.163266 
1 1 1 -5  19 5  o 78.13742 3.267874 742.0849       61.58456 801.7767       86.54247 680.8477       87.65563 81.33688 4.397840 74.93795 4.834769 6.398933       6.535747 
1 1 1 -5  19 6  o 255.6859 3.650415 7929.916       225.8134 7902.353       318.8383 7957.657       319.8609 255.2401 5.163204 256.1318 5.161729 -0.8917847     7.300830 
1 1 1 -5  19 7  o 92.86671 3.014415 1044.870       67.70888 1015.720       94.52415 1075.588       97.03483 91.53698 4.268191 94.19646 4.257854 -2.659477      6.028829 
1 1 1 -5  19 8  o 67.29868 3.529839 550.1269       57.42810 570.6825       80.80984 529.1531       81.62755 68.57513 4.870744 66.02222 5.110275 2.552902       7.059678 
1 1 1 -5  19 9  o 105.8394 2.928840 1361.642       74.84512 1415.311       103.9874 1303.955       107.8101 108.0193 3.979027 103.6594 4.298810 4.359932       5.857680 
1 1 1 -5  19 10 o 128.1247 2.801725 1987.494       86.73685 2118.221       126.2652 1870.685       119.3551 132.1053 3.950583 124.1441 3.973859 7.961151       5.603451 
1 1 1 -5  19 11 o 87.21466 3.036785 923.8256       63.55961 934.0108       96.43529 916.0030       84.51363 87.61120 4.549609 86.81812 4.023593 0.7930756      6.073569 
1 1 1 -5  19 12 o 81.02083 3.150313 794.8221       61.54262 876.8387       91.52827 727.1440       83.14349 84.80903 4.460781 77.23263 4.449643 7.576401       6.300626 
1 1 1 -5  19 13 o 107.7425 2.987830 1397.296       77.33031 1608.495       117.9425 1238.040       102.4167 114.7783 4.247255 100.7067 4.203492 14.07160       5.975661 
1 1 1 -5  19 14 o 83.53719 3.200129 845.3925       64.12171 931.6205       98.84202 782.7334       84.25767 87.13094 4.688856 79.94344 4.356366 7.187508       6.400257 
1 1 1 -5  19 15 o 45.77985 5.034066 255.2653       53.21862 348.7768       85.84338 196.8891       67.82542 52.70025 6.732740 38.85944 7.485818 13.84081       10.06813 
1 1 1 -5  19 16 o 120.4612 2.914775 1763.578       83.93565 1944.040       131.3419 1638.999       109.1271 125.4865 4.326175 115.4360 3.907410 10.05051       5.829549 
1 1 1 -5  19 17 o 29.14716 6.661824 115.8873       52.84149 116.9264       84.25072 115.2135       67.84435 29.32607 9.952685 28.96825 8.857970 0.3578243      13.32365 
1 1 1 -5  19 18 o 21.18815 6.294933 11.16661       55.02048 80.70374       89.47510 -31.11619      69.77111 25.69778 10.00355 16.67852 7.644193 9.019264       12.58987 
1 1 1 -5  19 19 o 21.24149 6.347199 25.72589       55.47567 86.83368       90.77479 -10.70255      70.08696 25.13875 9.987149 17.34424 7.836107 7.794510       12.69440 
1 1 1 -5  21 1  o 262.0740 3.730057 8333.458       236.4855 8403.691       337.1277 8265.420       331.8174 263.1579 5.295118 260.9901 5.255001 2.167786       7.460114 
1 1 1 -5  21 2  o 37.45904 6.204599 178.4469       55.25359 188.4211       76.60877 167.6332       79.76768 38.56969 8.443893 36.34839 9.093342 2.221306       12.40920 
1 1 1 -5  21 3  o 147.9848 2.888452 2653.406       103.3737 2619.329       143.8118 2689.836       148.6954 147.0052 4.043520 148.9645 4.125840 -1.959366      5.776903 
1 1 1 -5  21 4  o 167.7208 3.012826 3410.631       122.2491 3453.910       173.5653 3368.022       172.2153 168.7776 4.250556 166.6640 4.270979 2.113556       6.025653 
1 1 1 -5  21 5  o 104.5321 4.228793 1325.205       106.9469 0.000000       0.000000 1325.205       106.9469 ?        ?        104.5321 4.228793 ?              ?        
1 1 1 -5  21 6  o 212.8694 3.294636 5486.146       169.4014 5768.807       248.3864 5240.335       231.6299 217.9731 4.710017 207.7657 4.608062 10.20740       6.589271 
1 1 1 -5  21 7  o 119.1287 3.547281 1775.505       96.67989 1898.710       121.1835 1559.786       160.3513 125.0861 4.004349 113.1712 5.856450 11.91494       7.094563 
1 1 1 -5  21 8  o 146.7540 2.846285 2614.891       101.0359 2539.879       142.1288 2691.525       143.6562 144.6214 4.062068 148.8866 3.988103 -4.265152      5.692571 
1 1 1 -5  21 9  o 82.92644 3.198678 834.7581       64.09000 882.7745       93.55824 792.3033       87.97326 85.16563 4.540622 80.68726 4.506542 4.478371       6.397357 
1 1 1 -5  21 10 o 172.3246 3.015461 3609.144       125.5248 3759.931       183.8617 3477.507       171.7902 175.6709 4.326026 168.9784 4.202085 6.692444       6.030922 
1 1 1 -5  21 11 o 119.1707 2.927658 1702.456       83.38824 1923.066       130.8766 1551.692       108.1927 125.5161 4.309832 112.8253 3.963594 12.69080       5.855316 
1 1 1 -5  21 12 o 64.51256 3.932901 512.1571       59.82568 676.4549       88.07072 371.3880       81.52097 74.24078 4.903280 54.78434 6.150503 19.45645       7.865802 
1 1 1 -5  21 13 o 64.94638 4.039106 508.8163       62.61815 625.2975       98.30032 429.2737       81.23190 71.03348 5.719914 58.85928 5.704392 12.17420       8.078212 
1 1 1 -5  21 14 o 55.20822 4.475834 386.6519       58.47690 360.6084       90.80852 405.1030       76.43433 53.36709 7.033164 57.04935 5.537777 -3.682262      8.951669 
1 1 1 -5  21 16 o 31.89356 6.607204 147.2513       59.61600 64.56569       91.83796 207.4689       78.37343 25.15096 10.02859 38.63615 8.605116 -13.48519      13.21441 
1 1 1 -5  21 17 o 47.85300 5.794765 318.7100       65.77061 325.1866       93.63349 312.4021       92.40605 48.71588 7.944350 46.99011 8.438274 1.725765       11.58953 
1 1 1 -5  21 18 o 23.06720 6.835897 54.91659       63.89889 87.92692       97.64873 30.19570       84.50332 25.23263 10.24246 20.90178 9.055938 4.330853       13.67179 
1 1 1 -5  23 1  o 150.5361 2.938792 2750.442       107.0231 2786.341       152.5150 2715.617       150.2181 151.5031 4.160913 149.5692 4.151241 1.933929       5.877584 
1 1 1 -5  23 2  o 101.6424 3.076133 1251.695       75.43304 1125.690       104.1789 1390.563       109.3670 96.26647 4.473035 107.0183 4.224019 -10.75185      6.152266 
1 1 1 -5  23 3  o 140.7455 2.924427 2384.646       99.12414 2714.099       147.7506 2114.996       133.6700 149.5163 4.084497 131.9747 4.186402 17.54158       5.848853 
1 1 1 -5  23 4  o 149.3680 2.908917 2707.538       105.0611 2768.960       151.7255 2650.959       145.6201 150.9885 4.153481 147.7476 4.073792 3.240936       5.817833 
1 1 1 -5  23 5  o 183.8765 3.083069 4109.374       137.1252 4166.577       196.4240 4054.994       191.5178 185.1189 4.385725 182.6341 4.334359 2.484848       6.166137 
1 1 1 -5  23 6  o 224.8093 3.397745 6075.440       183.2898 6799.973       282.1425 5546.400       241.0928 236.2077 4.937102 213.4110 4.669444 22.79675       6.795490 
1 1 1 -5  23 7  o 117.0893 3.011625 1661.052       84.97578 1760.945       127.1808 1580.494       114.2106 120.2325 4.372175 113.9461 4.142899 6.286362       6.023249 
1 1 1 -5  23 8  o 56.64440 4.427312 393.6542       60.24839 404.5245       91.25651 385.2551       80.21548 57.28472 6.584499 56.00408 5.920198 1.280643       8.854625 
1 1 1 -5  23 9  o 52.67823 4.832710 341.8492       61.38080 382.9873       90.56496 306.8970       83.47855 55.61098 6.731275 49.74548 6.936157 5.865498       9.665420 
1 1 1 -5  23 10 o 128.4653 2.975600 1986.603       91.71500 2283.869       141.1239 1769.250       120.6731 136.6337 4.269141 120.2970 4.146231 16.33670       5.951201 
1 1 1 -5  23 11 f 135.2388 2.988191 2239.820       97.72881 2305.352       140.7567 2178.825       135.7956 137.1403 4.242303 133.3372 4.209515 3.803040       5.976382 
1 1 1 -5  23 12 o 68.72708 4.162592 586.4055       69.02718 648.1037       101.3798 533.0824       94.24819 72.10777 5.811218 65.34640 5.961411 6.761368       8.325184 
1 1 1 -5  23 13 o 99.53541 3.170175 1212.059       75.86444 1346.676       115.4529 1109.764       100.6425 104.3014 4.575224 94.76939 4.389461 9.532043       6.340350 
1 1 1 -5  23 14 o 70.80909 4.093235 634.7697       69.95539 633.4537       102.3882 635.9218       95.80347 70.62796 5.991988 70.99022 5.578024 -0.3622589     8.186469 
1 1 1 -5  23 15 o 45.63290 5.949228 288.2846       63.86210 246.9533       90.47848 329.3180       90.15171 41.51797 9.244950 49.74784 7.490270 -8.229870      11.89846 
1 1 1 -5  23 16 o 27.50990 7.285097 109.5711       65.51619 118.4412       93.02165 100.8398       92.29044 28.22133 10.37414 26.79845 10.23073 1.422880       14.57019 
1 1 1 -5  23 17 f 19.14941 6.242754 -31.33990      69.45129 37.64698       98.31258 -100.0646      98.12559 21.85543 9.612188 16.44338 7.968296 5.412046       12.48551 
1 1 1 -5  25 1  o 243.7323 3.588319 7255.757       211.5294 7409.117       303.8331 7111.505       294.6727 246.2177 5.100508 241.2469 5.048657 4.970856       7.176637 
1 1 1 -5  25 2  f 223.5938 3.401857 6104.635       184.0215 6130.891       261.2880 6078.793       259.2159 224.0669 4.819916 223.1206 4.801972 0.9462738      6.803714 
1 1 1 -5  25 3  o 65.64835 3.907219 529.5710       61.63297 515.3253       92.00032 541.1700       83.01494 64.79076 5.869133 66.50594 5.159333 -1.715179      7.814437 
1 1 1 -5  25 4  o 35.63335 6.320181 158.5748       56.31342 239.9973       85.07784 95.08700       75.12583 43.14900 8.452097 28.11771 9.398978 15.03128       12.64036 
1 1 1 -5  25 5  o 84.49606 3.338811 863.9404       67.85551 1000.887       101.8187 754.5201       91.01241 90.46870 4.651862 78.52341 4.790702 11.94529       6.677622 
1 1 1 -5  25 6  o 63.07894 4.079245 486.0621       61.98446 543.3793       92.82404 439.9359       83.27061 66.40431 5.777792 59.75357 5.760041 6.650742       8.158490 
1 1 1 -5  25 7  o 107.3783 3.205146 1408.885       82.69438 1444.241       125.1170 1381.460       110.1942 108.4995 4.766355 106.2571 4.286457 2.242355       6.410293 
1 1 1 -5  25 8  o 65.11818 4.448626 526.9129       69.96086 485.4939       97.60195 570.6830       100.3338 62.43953 6.460953 67.79683 6.116959 -5.357296      8.897252 
1 1 1 -5  25 9  o 38.06180 6.155307 188.9806       63.00003 57.05096       88.12811 326.8663       90.09545 25.23804 9.899229 50.88556 7.318229 -25.64752      12.31061 
1 1 1 -5  25 10 o 52.94012 5.204920 357.0264       66.51808 383.2758       94.10625 330.8166       94.03534 54.98697 7.073859 50.89326 7.637101 4.093700       10.40984 
1 1 1 -5  25 11 o 65.35363 4.523106 539.9279       71.45889 514.4432       98.87516 567.7943       103.3924 63.73466 6.412231 66.97260 6.381005 -3.237930      9.046211 
1 1 1 -5  25 12 o 61.19822 4.782939 482.2506       70.62624 444.9961       100.0697 519.2249       99.69252 58.68431 7.048202 63.71213 6.467525 -5.027821      9.565879 
1 1 1 -5  25 13 o 42.14588 6.392805 250.9991       63.23580 266.6321       90.78521 236.2666       88.13167 43.53231 8.919703 40.75945 9.160279 2.772861       12.78561 
1 1 1 -5  25 14 o 61.76600 4.862629 508.7032       72.54858 472.3896       101.2406 547.0334       104.0139 59.35436 7.050176 64.17764 6.698930 -4.823284      9.725258 
1 1 1 -5  25 15 o 21.01055 6.572186 -1.697667      69.83905 -80.46712      98.60554 77.59091       98.92993 17.33754 8.294807 24.68357 10.19660 -7.346027      13.14437 
1 1 1 -5  27 1  f 24.39277 6.817915 46.26608       59.73341 66.50334       87.64345 28.71124       81.62852 26.10551 9.968962 22.68002 9.303531 3.425484       13.63583 
1 1 1 -5  27 2  o 95.63000 3.345113 1113.105       77.03764 1252.661       115.4870 1001.217       103.4066 100.9821 4.727010 90.27789 4.734396 10.70421       6.690226 
1 1 1 -5  27 3  o 81.83195 3.530405 822.5239       69.75797 856.2093       102.6022 793.5683       95.12670 83.35847 5.087503 80.30543 4.896156 3.053040       7.060810 
1 1 1 -5  27 4  o 55.21094 4.841632 375.5078       64.13007 439.4255       98.43076 328.3639       84.53433 59.21883 6.870189 51.20304 6.823937 8.015789       9.683265 
1 1 1 -5  27 5  f 92.08781 3.448922 1052.471       76.23969 976.4088       112.4036 1117.277       103.7536 88.85561 5.228691 95.32002 4.499006 -6.464409      6.897845 
1 1 1 -5  27 6  o 47.64047 5.652095 291.0436       63.60978 321.8329       95.80325 266.7688       85.06644 50.20030 7.888085 45.08065 8.097088 5.119656       11.30419 
1 1 1 -5  27 7  o 75.79327 4.051326 724.5673       73.41713 657.3853       109.0710 780.2226       99.27412 72.32907 6.232957 79.25748 5.177182 -6.928406      8.102652 
1 1 1 -5  27 8  o 26.73187 8.238134 14.61462       100.5607 43.87864       142.9544 -14.05116      141.4856 28.08093 11.96553 25.38282 11.32668 2.698111       16.47627 
1 1 1 -5  27 9  o 59.70143 4.621282 460.2653       65.66593 377.0775       94.15455 539.0490       91.62827 54.05118 7.200022 65.35168 5.795227 -11.30050      9.242563 
1 1 1 -5  27 10 o 24.86514 6.919575 62.07077       62.16177 32.66339       89.02850 90.04540       86.83266 22.81115 9.567291 26.91912 9.999451 -4.107971      13.83915 
1 1 1 -5  27 11 o 21.74130 6.655337 16.81158       64.48022 8.248276       90.31644 25.71393       92.08696 21.16054 9.261955 22.32207 9.559825 -1.161530      13.31067 
1 1 1 -5  27 12 o 24.33479 6.939009 55.34931       67.15508 116.7841       93.09399 -11.30445      96.96764 28.29628 10.38172 20.37331 9.209736 7.922972       13.87802 
1 1 1 -5  27 13 o 34.77839 7.219114 199.7241       71.69148 293.8188       100.3636 101.6910       102.4425 43.14346 9.833962 26.41332 10.57145 16.73013       14.43823 
1 1 1 -5  29 1  o 31.76151 5.910518 111.8329       62.70357 -64.69583      90.74462 273.1365       86.74314 18.25928 8.491364 45.26373 8.223967 -27.00445      11.82104 
1 1 1 -5  29 2  o 55.00751 5.114193 381.2433       67.25705 432.8811       105.4339 345.8131       87.33397 57.96737 7.517865 52.04766 6.935530 5.919708       10.22839 
1 1 1 -5  29 3  o 102.8862 3.382364 1305.575       83.77791 1413.082       126.3705 1221.274       111.9039 106.5688 4.901325 99.20360 4.662462 7.365189       6.764728 
1 1 1 -5  29 4  o 29.39983 7.127233 99.41433       64.17399 179.8936       98.69090 40.45633       84.47077 35.59007 10.63993 23.20959 9.485868 12.38048       14.25447 
1 1 1 -5  29 5  o 61.80132 4.540409 481.5832       67.34592 574.8167       101.1366 407.3083       90.27005 67.20986 6.219752 56.39278 6.616340 10.81708       9.080818 
1 1 1 -5  29 6  o 93.54671 5.202421 1134.558       117.0588 1214.753       177.2905 1072.576       155.8639 96.21109 7.616545 90.88234 7.088652 5.328751       10.40484 
1 1 1 -5  29 7  o 52.85807 7.647656 410.1593       96.12920 502.6770       136.8517 320.0476       135.0605 60.27757 9.384087 45.43857 12.07831 14.83900       15.29531 
1 1 1 -5  29 8  o 33.93399 9.068525 171.0511       109.3647 259.6074       147.9827 64.47353       162.3431 39.36724 13.19126 28.50073 12.44762 10.86652       18.13705 
1 1 1 -5  29 9  o 45.88895 9.249790 365.0327       107.6690 371.8025       154.2253 358.5961       150.3814 46.23038 13.15836 45.54752 13.00354 0.6828690      18.49958 
1 1 1 -5  29 10 o 41.52439 8.579094 272.0054       113.0128 575.6097       172.2775 42.66508       149.7321 57.48262 12.72396 25.56616 11.51104 31.91646       17.15819 
1 1 1 -5  29 11 f 74.16786 6.613074 852.7101       118.1841 790.4819       168.1206 913.5039       166.1714 70.61966 9.839952 77.71606 8.837781 -7.096405      13.22615 
1 1 1 -4  0  9  o 34.16293 2.742968 146.5794       30.99511 146.5794       30.99511 146.5794       30.99511 34.16293 3.879143 34.16293 3.879143 0.000000       0.000000 
1 1 1 -4  0  10 o 31.24387 3.049974 124.6877       30.83359 124.6877       30.83359 124.6877       30.83359 31.24387 4.313314 31.24387 4.313314 0.000000       0.000000 
1 1 1 -4  2  1  o 303.2535 4.012217 11123.21       294.1120 10833.03       405.7727 11444.39       426.9061 299.0954 5.607519 307.4116 5.739972 -8.316193      8.024434 
1 1 1 -4  2  4  o 371.9366 4.794885 16748.00       431.2892 17062.80       620.8685 16454.43       599.5595 375.3081 6.837689 368.5651 6.723816 6.743073       9.589770 
1 1 1 -4  2  5  o 173.5925 2.644428 3644.163       111.0200 3735.687       159.7073 3558.579       154.4373 175.6999 3.757083 171.4850 3.722407 4.214935       5.288856 
1 1 1 -4  2  6  o 197.5892 2.883611 4724.091       137.8452 4750.866       195.7714 4697.764       194.1243 198.1443 4.083809 197.0340 4.072267 1.110291       5.767222 
1 1 1 -4  2  7  o 805.2234 14.13159 78854.52       2752.568 77917.91       3850.441 79833.44       3936.422 800.3568 19.88495 810.0901 20.08473 -9.733276      28.26319 
1 1 1 -4  2  8  o 525.3089 7.614289 33503.48       841.9586 33576.45       975.1271 33289.71       1669.027 526.6367 7.653284 523.9811 13.16574 2.655518       15.22858 
1 1 1 -4  2  9  o 256.4313 4.107069 7625.021       210.4051 7382.716       236.1830 8556.812       463.1558 247.0116 3.952111 265.8510 7.200895 -18.83943      8.214139 
1 1 1 -4  2  10 o 484.3179 7.140594 28039.53       711.8420 27681.31       812.6461 29220.70       1475.652 478.0751 7.025916 490.5607 12.43337 -12.48560      14.28119 
1 1 1 -4  2  11 o 323.0667 4.951059 12544.65       332.8895 12443.40       382.4087 12861.39       676.3904 320.5637 4.930728 325.5697 8.587193 -5.005951      9.902119 
1 1 1 -4  2  12 o 191.1031 4.017505 4425.954       185.7441 4428.316       261.7793 4423.558       263.5938 191.1557 5.660380 191.0504 5.702759 0.1053619      8.035009 
1 1 1 -4  2  13 o 90.03165 2.852669 981.1054       62.13680 0.000000       0.000000 981.1054       62.13680 ?        ?        90.03165 2.852669 ?              ?        
1 1 1 -4  2  14 o 179.8601 3.877067 3918.284       168.7098 0.000000       0.000000 3918.284       168.7098 ?        ?        179.8601 3.877067 ?              ?        
1 1 1 -4  2  15 o 142.8894 4.881100 2475.907       168.7408 0.000000       0.000000 2475.907       168.7408 ?        ?        142.8894 4.881100 ?              ?        
1 1 1 -4  4  1  o 452.6165 5.736088 24817.96       627.8004 24347.80       871.0228 25326.27       905.6785 448.1676 8.033167 457.0654 8.190181 -8.897797      11.47218 
1 1 1 -4  4  2  o 456.9325 5.785523 25308.64       639.5505 25162.58       899.0264 25458.28       909.9954 455.6010 8.156157 458.2641 8.207692 -2.663147      11.57105 
1 1 1 -4  4  3  o 339.7737 4.430010 13980.47       364.1400 14086.13       518.5782 13877.69       511.4394 341.0387 6.285043 338.5086 6.244852 2.530090       8.860020 
1 1 1 -4  4  4  o 168.6055 2.619086 3439.931       106.8338 3414.909       150.3244 3465.467       151.8590 167.9861 3.698740 169.2249 3.709146 -1.238785      5.238172 
1 1 1 -4  4  5  o 292.9723 3.906896 10389.21       276.9122 10454.91       393.8350 10324.97       389.4282 293.8878 5.538989 292.0567 5.511348 1.831055       7.813793 
1 1 1 -4  4  6  o 324.5151 4.258846 12746.09       334.3609 12680.06       470.5913 12813.40       475.1571 323.6669 6.009570 325.3633 6.036237 -1.696472      8.517693 
1 1 1 -4  4  7  o 483.7178 6.097984 28332.06       713.6411 28314.42       1008.128 28349.79       1010.357 483.5673 8.617010 483.8684 8.630689 -0.3011475     12.19597 
1 1 1 -4  4  9  f 424.6476 5.411315 21818.67       555.5737 22308.30       803.6167 21370.39       768.9303 429.2022 7.738997 420.0929 7.565529 9.109314       10.82263 
1 1 1 -4  4  10 o 369.8475 4.782900 16557.98       427.7510 16238.32       593.4878 16903.53       617.0632 366.1402 6.699804 373.5549 6.827676 -7.414734      9.565800 
1 1 1 -4  4  11 o 199.7520 3.394931 4862.713       142.3946 4894.389       164.8852 4769.780       282.4282 201.0933 3.389080 198.4107 5.883566 2.682571       6.789861 
1 1 1 -4  4  12 o 280.2430 4.349079 9665.529       259.9224 9831.904       304.3471 9217.133       499.6399 284.9219 4.415105 275.5641 7.494318 9.357758       8.698158 
1 1 1 -4  4  13 o 251.8474 4.002769 7816.321       215.0107 7962.333       251.8765 7424.152       412.7910 256.3992 4.060398 247.2955 6.899405 9.103653       8.005537 
1 1 1 -4  4  14 o 33.44337 4.281600 202.1590       23.57478 231.5229       25.83905 56.29982       57.58858 43.73683 2.441895 23.14990 8.207650 20.58693       8.563199 
1 1 1 -4  4  15 o 136.5222 3.388277 2253.953       111.6656 2171.327       151.9457 2350.982       164.6571 133.8162 4.693287 139.2281 4.888224 -5.411911      6.776554 
1 1 1 -4  4  16 o 149.6735 3.513063 2720.477       127.1739 2723.379       177.7026 2717.430       182.0794 149.7626 4.904424 149.5843 5.031209 0.1783142      7.026125 
1 1 1 -4  4  17 o 80.64862 2.833593 788.3087       55.28874 0.000000       0.000000 788.3087       55.28874 ?        ?        80.64862 2.833593 ?              ?        
1 1 1 -4  6  1  o 267.6590 3.643176 8672.489       235.9134 8634.953       332.1719 8710.692       335.1114 267.0750 5.140759 268.2429 5.163672 -1.167847      7.286351 
1 1 1 -4  6  2  o 330.8026 4.340390 13187.37       346.1789 12527.06       466.6385 13995.57       516.2545 321.6453 5.996543 339.9599 6.276735 -18.31461      8.680779 
1 1 1 -4  6  3  o 178.1328 2.732424 3839.000       117.7446 3897.248       168.1263 3782.931       164.9510 179.4584 3.872305 176.8071 3.856141 2.651337       5.464849 
1 1 1 -4  6  4  o 391.5402 5.028609 18528.58       475.6701 19200.92       695.5673 17937.92       651.9476 398.1935 7.220090 384.8868 7.001279 13.30673       10.05722 
1 1 1 -4  6  5  o 938.5350 14.15981 107544.2       3044.678 106305.8       5207.786 108187.4       3752.870 933.4324 23.06046 943.6377 16.43826 -10.20532      28.31963 
1 1 1 -4  6  6  o 146.3936 2.476601 2586.298       87.60172 2732.961       127.8577 2456.535       120.2656 150.2952 3.516249 142.4920 3.488580 7.803223       4.953201 
1 1 1 -4  6  7  o 412.4202 5.268308 20573.13       525.3271 21069.53       759.7344 20118.37       727.1838 417.1797 7.527250 407.6608 7.372977 9.518921       10.53662 
1 1 1 -4  6  8  o 209.9615 3.050888 5330.744       154.9090 5452.401       223.1607 5217.607       215.2047 212.2714 4.345342 207.6516 4.283651 4.619873       6.101776 
1 1 1 -4  6  9  o 434.8566 5.532703 22906.41       582.0673 23015.35       826.9785 22799.46       819.4087 435.8798 7.841970 433.8334 7.806839 2.046356       11.06541 
1 1 1 -4  6  10 o 184.8159 2.814834 4122.702       125.6548 3934.893       171.7780 4338.857       184.2860 180.3026 3.937887 189.3291 4.023208 -9.026581      5.629668 
1 1 1 -4  6  11 o 199.2310 2.944296 4801.884       141.8486 4937.216       204.5835 4676.591       196.8485 201.9309 4.187604 196.5310 4.139986 5.399918       5.888592 
1 1 1 -4  6  12 o 136.5105 2.408120 2255.607       79.52341 2230.371       111.4184 2281.813       113.5378 135.7327 3.392890 137.2883 3.418254 -1.555588      4.816240 
1 1 1 -4  6  13 o 215.3285 3.108564 5617.083       161.9359 5662.710       230.3891 5572.531       227.6591 216.1920 4.404737 214.4650 4.387593 1.727097       6.217128 
1 1 1 -4  6  14 o 175.9215 3.196707 3837.217       118.8976 3933.420       138.8577 3572.873       230.1752 180.2350 3.184405 171.6080 5.543944 8.627090       6.393414 
1 1 1 -4  6  15 o 29.92310 4.651183 137.8799       25.60616 151.7156       27.85849 62.54610       65.00586 35.39177 3.253516 24.45444 8.714851 10.93733       9.302365 
1 1 1 -4  6  16 o 100.9722 2.794461 1233.087       61.76577 1228.043       73.08986 1245.687       115.5231 100.6730 3.000833 101.2713 4.714983 -0.5983047     5.588923 
1 1 1 -4  6  17 o 95.90186 2.826477 1143.710       59.91086 1185.132       72.15363 1051.755       107.5055 98.85481 3.016880 92.94891 4.780620 5.905899       5.652955 
1 1 1 -4  6  18 o 15.78632 4.443833 10.55588       28.10229 36.79952       33.49495 -51.83820      51.64627 18.14499 6.272012 13.42765 6.297020 4.717341       8.887666 
1 1 1 -4  6  19 o 17.61047 4.709254 28.13254       28.37468 44.90184       33.68335 -12.84949      52.65680 19.31493 6.286314 15.90601 7.013597 3.408922       9.418508 
1 1 1 -4  6  20 o 32.75626 3.392156 131.1281       26.88267 0.000000       0.000000 131.1281       26.88267 ?        ?        32.75626 3.392156 ?              ?        
1 1 1 -4  8  1  o 592.3556 7.398461 42534.46       1060.220 42299.26       1489.043 42776.30       1509.929 590.7002 10.41929 594.0110 10.50654 -3.310852      14.79692 
1 1 1 -4  8  2  o 464.1689 5.877986 26088.32       659.9390 26423.45       945.7516 25770.29       921.3173 467.0694 8.369382 461.2685 8.255685 5.800873       11.75597 
1 1 1 -4  8  3  o 400.9736 5.151588 19457.76       499.6117 19803.50       717.2013 19131.80       696.3743 404.4305 7.329847 397.5168 7.240774 6.913696       10.30318 
1 1 1 -4  8  4  o 639.5565 7.946832 49520.32       1228.674 50719.43       1780.377 48429.90       1697.778 646.9278 11.37507 632.1851 11.10029 14.74268       15.89366 
1 1 1 -4  8  5  o 233.3649 3.306236 6587.223       186.6230 6699.021       267.5722 6481.320       260.4224 235.2919 4.700366 231.4379 4.650950 3.854065       6.612472 
1 1 1 -4  8  6  o 350.5339 4.568731 14848.55       386.9996 15344.42       564.2344 14408.04       531.8044 356.0485 6.550102 345.0193 6.370980 11.02924       9.137463 
1 1 1 -4  8  7  o 502.6173 6.332188 30594.90       769.9151 30861.17       1098.925 30338.20       1078.997 504.7617 8.998693 500.4729 8.911226 4.288818       12.66438 
1 1 1 -4  8  8  o 788.8885 9.752580 75503.39       1859.583 73684.16       2562.935 77525.85       2702.289 778.9100 13.60028 798.8670 13.98154 -19.95697      19.50516 
1 1 1 -4  8  10 o 403.9306 5.185162 19776.21       506.4636 19400.22       702.7752 20182.49       730.5259 399.9490 7.262891 407.9123 7.402297 -7.963318      10.37032 
1 1 1 -4  8  11 o 86.64618 2.277854 908.8138       47.74328 928.6699       67.61884 889.0744       67.41998 87.59051 3.190865 85.70184 3.251593 1.888664       4.555707 
1 1 1 -4  8  12 o 318.6249 4.224483 12311.32       325.6094 12456.84       465.1654 12171.52       455.9358 320.4670 5.999592 316.7828 5.948942 3.684204       8.448965 
1 1 1 -4  8  13 o 377.2402 4.891669 17286.27       446.4469 17225.79       629.1440 17347.62       633.6222 376.5783 6.905457 377.9020 6.930249 -1.323700      9.783338 
1 1 1 -4  8  14 o 50.63738 2.906448 315.7408       35.03030 263.2630       51.14636 362.1083       48.07666 46.60053 4.536507 54.67423 3.634539 -8.073700      5.812897 
1 1 1 -4  8  15 o 90.06355 2.301508 978.9782       50.04760 1065.290       73.26925 903.4825       68.52471 93.77190 3.229585 86.35519 3.279869 7.416702       4.603016 
1 1 1 -4  8  16 o 215.5871 3.644703 5760.588       166.4366 5879.615       194.3882 5433.670       322.1564 220.1460 3.649696 211.0281 6.309925 9.117920       7.289406 
1 1 1 -4  8  17 o 168.4177 3.160823 3576.580       113.2152 3724.136       133.2971 3194.527       214.4884 175.1623 3.145414 161.6731 5.483574 13.48917       6.321646 
1 1 1 -4  8  18 o 22.65394 4.810283 21.46228       24.32503 1.443371       26.26100 142.4152       64.55045 12.19609 5.159817 33.11179 8.119826 -20.91570      9.620566 
1 1 1 -4  8  19 o 57.14647 3.435807 401.7230       39.99192 401.7044       45.62768 401.7847       83.06877 57.40304 3.285422 56.88990 6.035320 0.5131416      6.871614 
1 1 1 -4  8  20 o 108.2982 3.399171 1439.769       88.18945 1369.423       115.7320 1537.180       136.1873 105.3028 4.542672 111.2936 5.057826 -5.990868      6.798343 
1 1 1 -4  8  21 o 52.43291 3.795445 328.9256       46.89007 253.6585       59.43951 452.9447       76.29865 44.84348 5.478652 60.02234 5.254140 -15.17886      7.590890 
1 1 1 -4  10 1  o 901.0537 11.10552 98131.38       2412.724 103180.6       3594.352 93990.45       3255.040 921.9879 16.11362 880.1194 15.28665 41.86847       22.21105 
1 1 1 -4  10 2  o 379.1755 4.906282 17400.57       450.0408 17572.78       641.9931 17234.19       631.0554 381.0189 6.964366 377.3321 6.912600 3.686768       9.812565 
1 1 1 -4  10 3  o 367.7431 4.786808 16369.02       425.8840 16310.53       601.9962 16427.63       602.5861 367.0851 6.778361 368.4011 6.760766 -1.316071      9.573617 
1 1 1 -4  10 4  o 731.9033 9.055161 64945.63       1603.377 64636.27       2255.766 65261.53       2279.455 730.1465 12.76973 733.6602 12.84203 -3.513611      18.11032 
1 1 1 -4  10 5  o 544.1127 6.818506 35852.12       897.3350 36368.00       1287.787 35365.25       1251.056 547.9101 9.714768 540.3153 9.570339 7.594788       13.63701 
1 1 1 -4  10 6  o 533.7181 6.696261 34507.37       864.5174 34878.45       1236.283 34152.25       1209.385 536.5205 9.524217 530.9156 9.415358 5.604858       13.39252 
1 1 1 -4  10 7  o 312.8823 4.159392 11852.02       314.8511 11810.65       443.6548 11894.01       446.8962 312.3326 5.871181 313.4319 5.893335 -1.099304      8.318784 
1 1 1 -4  10 8  f 608.3237 7.596079 44930.16       1117.472 44179.03       1552.975 45736.69       1609.212 603.0776 10.64361 613.5699 10.84044 -10.49225      15.19216 
1 1 1 -4  10 9  o 144.8842 3.573621 2540.900       125.2656 2540.900       125.2656 0.000000       0.000000 144.8842 3.573621 ?        ?        ?              ?        
1 1 1 -4  10 10 o 113.8848 2.373744 1570.205       65.39275 1602.078       92.42979 1538.264       92.52891 115.0429 3.320855 112.7268 3.392720 2.316116       4.747487 
1 1 1 -4  10 11 o 234.8445 3.333042 6678.207       189.3028 6833.548       272.3691 6533.048       263.2909 237.4825 4.740499 232.2065 4.686614 5.275986       6.666084 
1 1 1 -4  10 12 o 196.1835 2.975024 4656.184       141.0944 4829.306       204.5857 4499.154       194.8456 199.6543 4.235398 192.7128 4.179052 6.941559       5.950048 
1 1 1 -4  10 13 o 119.8917 2.466853 1729.485       71.31879 1912.371       105.8558 1577.464       96.51073 125.6580 3.481946 114.1253 3.495355 11.53272       4.933706 
1 1 1 -4  10 14 o 269.8231 3.713964 8828.919       242.2790 9066.191       350.6999 8612.284       335.1006 273.2783 5.304302 266.3678 5.199854 6.910431       7.427927 
1 1 1 -4  10 15 f 232.8109 3.332511 6555.555       187.1763 6954.657       277.7373 6223.453       253.3542 239.2572 4.798073 226.3647 4.626124 12.89252       6.665023 
1 1 1 -4  10 16 o 24.70901 4.716443 69.64841       30.03316 119.1904       47.60360 36.88979       38.70935 30.62643 6.617722 18.79159 6.721985 11.83484       9.432886 
1 1 1 -4  10 17 o 64.67455 3.247253 497.9420       42.06651 488.2830       47.42140 533.6110       91.12839 63.40081 3.091557 65.94829 5.711469 -2.547474      6.494506 
1 1 1 -4  10 18 o 57.46561 3.909866 436.4502       41.27722 454.6887       46.01622 361.3326       93.38718 61.12608 3.111588 53.80514 7.173996 7.320942       7.819732 
1 1 1 -4  10 19 o 109.6723 3.054131 1513.814       65.65922 1540.792       74.14854 1415.824       141.3176 112.5053 2.724126 106.8393 5.467174 5.666046       6.108261 
1 1 1 -4  10 20 o 58.12477 3.612762 389.3239       38.63799 373.0768       42.21094 473.2897       95.95972 55.20863 3.160208 61.04090 6.497791 -5.832272      7.225524 
1 1 1 -4  12 1  f 499.7336 7.708889 30405.66       884.9401 30718.74       1094.822 29815.59       1503.016 503.6093 8.985609 495.8580 12.52864 7.751221       15.41778 
1 1 1 -4  12 2  o 284.0504 4.713224 9933.777       313.5413 10508.41       403.0404 9052.945       499.0008 294.6605 5.653590 273.4403 7.542867 21.22025       9.426448 
1 1 1 -4  12 3  f 230.2916 3.329279 6400.586       185.2061 6730.874       271.3298 6112.446       253.4276 235.8383 4.755332 224.7448 4.660817 11.09358       6.658558 
1 1 1 -4  12 4  o 368.0576 5.871796 16351.41       490.5663 16573.47       860.6227 16244.53       597.0607 369.8202 9.618778 366.2950 6.737288 3.525177       11.74359 
1 1 1 -4  12 5  f 367.7231 5.886393 16219.80       487.4404 16835.22       873.1363 15941.16       587.5157 372.6298 9.685057 362.8165 6.693144 9.813293       11.77279 
1 1 1 -4  12 6  o 324.1770 5.236642 12867.22       393.3657 12266.51       650.6833 13213.22       493.8226 318.0639 8.455768 330.2902 6.179780 -12.22629      10.47328 
1 1 1 -4  12 7  o 623.8927 9.549384 47597.89       1365.056 47019.64       2333.762 47898.61       1682.982 620.2041 15.55320 627.5814 11.08427 -7.377258      19.09877 
1 1 1 -4  12 8  o 184.4422 3.513416 4162.941       149.7175 3975.015       249.4029 4268.817       187.2003 181.1167 5.691682 187.7678 4.120815 -6.651093      7.026832 
1 1 1 -4  12 9  o 159.7502 3.265619 3029.291       118.1246 3265.913       211.2177 2921.602       142.4912 164.1631 5.318051 155.3373 3.791492 8.825806       6.531239 
1 1 1 -4  12 10 o 158.8084 3.273946 2999.483       117.1343 3208.804       211.1068 2906.374       140.7957 162.6949 5.363226 154.9220 3.756420 7.772888       6.547892 
1 1 1 -4  12 11 o 69.36642 2.671508 582.7921       44.83158 579.4064       63.61889 586.1319       63.18619 69.16577 3.801828 69.56709 3.754188 -0.4013138     5.343017 
1 1 1 -4  12 12 o 113.9185 2.513190 1568.605       69.19138 1667.928       100.3267 1478.513       95.55067 117.3513 3.533672 110.4856 3.574585 6.865685       5.026380 
1 1 1 -4  12 13 o 359.4741 4.712634 15688.58       409.3166 16227.85       597.7279 15212.40       561.6750 365.2518 6.764082 353.6964 6.563753 11.55539       9.425267 
1 1 1 -4  12 14 o 60.99653 3.011413 451.1686       44.41635 472.5432       63.68472 430.9240       61.97843 62.40404 4.218132 59.58903 4.299045 2.815010       6.022826 
1 1 1 -4  12 15 o 120.5241 2.537323 1752.960       73.77112 1902.139       109.4673 1628.839       99.85081 125.1926 3.614127 115.8555 3.562317 9.337090       5.074645 
1 1 1 -4  12 16 o 104.5072 2.497179 1317.139       62.87997 1450.901       94.21342 1209.693       84.43880 109.2495 3.564436 99.76476 3.498344 9.484787       4.994359 
1 1 1 -4  12 17 o 37.65309 4.173739 167.9761       36.17091 235.0837       58.93778 127.4283       45.81329 43.70770 5.573570 31.59848 6.214153 12.10922       8.347478 
1 1 1 -4  12 18 o 49.03405 3.393693 296.0690       39.41299 294.9101       62.34572 296.8405       50.86655 48.86770 5.273299 49.20041 4.273280 -0.3327026     6.787385 
1 1 1 -4  12 19 o 49.49117 4.163873 266.9012       43.23829 231.9261       48.84400 393.5753       92.95572 43.30091 4.662425 55.68143 6.900229 -12.38051      8.327746 
1 1 1 -4  12 20 o 29.95957 5.840883 129.9275       40.45129 140.6247       45.60758 90.48186       87.57955 32.83174 5.961265 27.08740 10.04624 5.744345       11.68177 
1 1 1 -4  14 1  o 112.0231 2.678010 1518.046       72.49079 1506.399       99.88026 1531.009       105.3752 111.5703 3.700230 112.4759 3.872370 -0.9055862     5.356019 
1 1 1 -4  14 2  o 299.3363 4.054599 10846.72       293.5648 10711.26       409.7676 10989.57       420.7781 297.4189 5.694647 301.2538 5.773222 -3.834961      8.109199 
1 1 1 -4  14 3  o 42.03967 4.212942 212.2179       42.41331 202.0156       55.58323 226.4382       65.62192 40.84330 5.624976 43.23603 6.273369 -2.392731      8.425883 
1 1 1 -4  14 4  o 208.4696 4.447515 5261.372       224.3171 0.000000       0.000000 5261.372       224.3171 ?        ?        208.4696 4.447515 ?              ?        
1 1 1 -4  14 5  o 145.1667 2.686721 2549.551       94.33178 2636.677       135.0675 2466.586       131.8029 147.5870 3.782688 142.7464 3.816433 4.840607       5.373443 
1 1 1 -4  14 6  o 92.44865 2.593051 1036.340       57.88142 1106.192       81.55763 965.4546       82.15905 95.59504 3.526362 89.30228 3.802687 6.292763       5.186102 
1 1 1 -4  14 7  o 111.8885 2.537448 1514.163       68.64542 1441.987       95.58284 1591.043       98.64828 109.1367 3.619985 114.6402 3.556724 -5.503555      5.074897 
1 1 1 -4  14 8  o 131.8948 2.603692 2106.067       83.06766 2047.231       116.7501 2166.387       118.2144 130.0285 3.711216 133.7611 3.652906 -3.732544      5.207384 
1 1 1 -4  14 9  o 293.2110 3.974496 10425.29       281.9354 10468.31       400.6941 10383.11       396.7686 293.8079 5.636989 292.6141 5.604537 1.193817       7.948992 
1 1 1 -4  14 10 o 143.5240 2.644351 2495.418       91.79807 2465.701       130.8251 2524.241       128.8417 142.6797 3.789891 144.3683 3.688778 -1.688568      5.288702 
1 1 1 -4  14 11 o 187.9797 2.974599 4281.512       135.2678 4325.992       193.0409 4238.603       189.6007 188.9375 4.223075 187.0220 4.190298 1.915497       5.949199 
1 1 1 -4  14 12 o 85.77304 3.928800 891.6750       81.52917 0.000000       0.000000 891.6750       81.52917 ?        ?        85.77304 3.928800 ?              ?        
1 1 1 -4  14 14 o 89.08148 2.694397 959.6707       57.95295 1023.956       85.30086 904.5606       78.97938 91.83931 3.839038 86.32366 3.781652 5.515648       5.388794 
1 1 1 -4  14 15 o 54.96786 3.350188 366.7438       44.43945 394.6876       65.75714 343.2521       60.29168 56.88203 4.778214 53.05371 4.697203 3.828320       6.700376 
1 1 1 -4  14 16 o 99.91328 2.633162 1202.352       63.28193 1368.700       95.69062 1073.053       84.36403 105.9828 3.731915 93.84377 3.715776 12.13902       5.266325 
1 1 1 -4  14 17 o 83.82256 2.788900 841.2936       55.87487 978.8719       87.74428 747.4518       72.46731 89.44071 4.054910 78.20439 3.830087 11.23632       5.577801 
1 1 1 -4  14 18 o 47.44764 3.927948 271.5439       44.28405 329.6991       71.32323 235.0596       56.49227 51.40725 5.734615 43.48803 5.369292 7.919220       7.855896 
1 1 1 -4  14 19 o 38.17152 4.887971 182.0195       43.44697 236.9007       70.13127 147.8380       55.34721 43.00262 6.740848 33.34044 7.080255 9.662182       9.775942 
1 1 1 -4  14 20 o 70.40723 4.598532 641.3259       78.03708 592.0286       104.9827 702.2011       116.6610 67.45960 6.432377 73.35484 6.573470 -5.895241      9.197063 
1 1 1 -4  16 1  o 198.3089 3.078728 4739.810       147.2985 4475.287       199.3887 5057.619       218.5505 192.2493 4.286802 204.3685 4.420135 -12.11928      6.157456 
1 1 1 -4  16 2  o 191.2830 3.021351 4422.371       139.6696 4261.756       192.0865 4602.548       203.4482 187.6064 4.232012 194.9595 4.313274 -7.353088      6.042703 
1 1 1 -4  16 3  o 119.3089 2.652536 1723.012       76.55003 1709.188       106.9967 1737.508       109.5652 118.8194 3.722035 119.7983 3.780243 -0.9788513     5.305071 
1 1 1 -4  16 4  f 120.0232 2.624906 1743.563       76.20435 1721.457       106.3919 1766.853       109.2015 119.2429 3.687855 120.8035 3.736342 -1.560692      5.249812 
1 1 1 -4  16 5  o 407.7745 5.269289 20187.78       519.8332 20084.95       732.0706 20292.36       738.2791 406.7296 7.439518 408.8194 7.464261 -2.089722      10.53858 
1 1 1 -4  16 6  o 194.9456 3.041965 4586.873       143.1855 4344.854       195.1008 4869.405       210.7988 189.3948 4.257833 200.4964 4.345695 -11.10161      6.083930 
1 1 1 -4  16 7  o 103.7002 3.774219 1302.312       94.69106 1302.312       94.69106 0.000000       0.000000 103.7002 3.774219 ?        ?        ?              ?        
1 1 1 -4  16 8  o 201.2783 3.104938 4908.403       151.1929 4848.735       212.6823 4969.365       214.9741 200.0415 4.394494 202.5151 4.387593 -2.473618      6.209876 
1 1 1 -4  16 9  o 21.80992 5.716598 37.55344       42.27957 73.90059       59.90033 1.467201       59.68495 25.29819 8.390363 18.32164 7.766580 6.976551       11.43320 
1 1 1 -4  16 10 o 115.5096 2.732069 1614.339       76.26727 1664.307       111.0381 1569.712       104.9368 117.1967 3.916103 113.8225 3.810635 3.374207       5.464138 
1 1 1 -4  16 11 o 219.3997 3.292156 5835.488       174.6691 6002.778       251.7581 5680.227       242.5387 222.4258 4.678385 216.3737 4.633128 6.052094       6.584312 
1 1 1 -4  16 12 o 178.0126 2.941016 3841.302       126.5645 3958.746       183.4660 3734.662       174.8251 180.6000 4.198899 175.4251 4.119169 5.174866       5.882032 
1 1 1 -4  16 13 o 50.38636 4.140287 305.5887       49.25688 411.5219       74.28020 222.4462       65.80651 58.11537 5.282990 42.65736 6.376357 15.45802       8.280574 
1 1 1 -4  16 14 o 109.6891 2.726899 1449.180       71.88073 1587.113       109.6645 1345.283       95.17731 114.2015 3.969098 105.1767 3.740345 9.024841       5.453799 
1 1 1 -4  16 15 o 74.93831 3.119370 683.9525       56.44783 725.3640       83.01000 648.3312       76.98825 77.03376 4.453967 72.84286 4.368528 4.190895       6.238739 
1 1 1 -4  16 16 f 147.1617 2.737488 2596.380       96.42941 3011.443       150.3156 2306.106       125.7045 156.9306 3.959078 137.3929 3.781675 19.53767       5.474976 
1 1 1 -4  16 17 o 53.34143 3.865318 345.2470       49.28376 418.8471       76.94022 294.0378       64.17828 58.04393 5.478912 48.63894 5.453830 9.404987       7.730637 
1 1 1 -4  16 18 o 87.26591 3.027050 923.5261       63.24522 1083.167       98.36987 811.0380       82.57392 93.53714 4.346860 80.99468 4.213898 12.54246       6.054101 
1 1 1 -4  16 19 o 33.94469 5.971628 165.9370       48.84866 135.7020       77.37320 185.9753       62.98927 30.82022 9.465497 37.06916 7.283251 -6.248943      11.94326 
1 1 1 -4  16 20 o 46.94917 7.468261 347.4847       82.36674 351.1006       110.1113 342.8911       124.1093 48.04113 9.805490 45.85720 11.26730 2.183933       14.93652 
1 1 1 -4  18 1  o 111.3071 2.773340 1498.904       74.62757 1419.557       103.8916 1583.492       107.2681 108.2653 3.966327 114.3489 3.877360 -6.083572      5.546681 
1 1 1 -4  18 2  o 270.9401 3.783347 8898.064       247.9810 8981.269       353.3860 8817.343       348.0707 272.1861 5.366375 269.6942 5.334499 2.491974       7.566695 
1 1 1 -4  18 3  o 189.2824 3.035325 4332.082       138.8438 4174.974       190.8777 4508.612       202.3320 185.6475 4.249755 192.9174 4.335018 -7.269928      6.070651 
1 1 1 -4  18 4  o 362.5337 4.779309 15876.25       417.6679 16877.34       623.8292 15062.91       562.2951 372.8082 6.916366 352.2592 6.597807 20.54898       9.558618 
1 1 1 -4  18 5  o 280.4349 3.887632 9503.771       263.1461 10020.31       388.7589 9066.970       357.4936 287.4305 5.590429 273.4392 5.403873 13.99130       7.775265 
1 1 1 -4  18 6  o 168.5800 2.944951 3439.931       120.0550 3324.959       166.8081 3563.488       172.9238 165.6605 4.161941 171.4994 4.167637 -5.838882      5.889903 
1 1 1 -4  18 7  o 126.7001 2.762568 1942.670       84.62743 2040.758       121.8092 1851.149       117.6611 129.7896 3.879160 123.6106 3.934367 6.179024       5.525136 
1 1 1 -4  18 8  o 328.6045 4.394412 13112.28       349.2606 13334.71       501.3563 12902.55       486.8226 331.3019 6.254898 325.9071 6.174113 5.394806       8.788823 
1 1 1 -4  18 9  o 174.5544 2.942184 3687.823       124.1421 3858.243       180.1508 3533.719       171.3096 178.3867 4.174182 170.7222 4.147528 7.664490       5.884368 
1 1 1 -4  18 10 o 74.08803 3.242582 666.9663       58.02035 715.0457       82.29096 619.4387       81.81743 76.75418 4.431469 71.42188 4.734915 5.332298       6.485163 
1 1 1 -4  18 11 o 53.39486 4.128303 355.9968       51.70241 260.8425       74.08642 446.3347       72.18706 46.21042 6.626686 60.57930 4.925301 -14.36889      8.256606 
1 1 1 -4  18 12 o 170.4502 2.935486 3517.683       120.7771 3770.265       178.2600 3303.341       164.2128 176.0749 4.184601 164.8256 4.117940 11.24934       5.870973 
1 1 1 -4  18 13 o 55.95950 4.034185 383.0653       53.90899 390.0374       83.52384 378.0869       70.57835 56.33632 6.128013 55.58268 5.248434 0.7536430      8.068370 
1 1 1 -4  18 14 o 79.21628 3.110836 759.5964       59.29159 844.9711       89.76786 693.5280       78.96838 83.11197 4.464316 75.32059 4.333484 7.791374       6.221672 
1 1 1 -4  18 15 o 78.75371 4.355964 760.5199       82.99609 0.000000       0.000000 760.5199       82.99609 ?        ?        78.75371 4.355964 ?              ?        
1 1 1 -4  18 16 o 85.61331 3.128431 880.0361       63.91653 1054.409       100.9831 763.4889       82.55829 92.47669 4.513508 78.74994 4.333194 13.72675       6.256862 
1 1 1 -4  18 17 o 60.97272 3.968187 457.3237       57.59658 523.6259       91.93163 414.4825       73.89775 64.41122 5.899308 57.53421 5.308878 6.877018       7.936373 
1 1 1 -4  18 18 f 82.71117 3.342037 848.3863       66.47768 965.0634       100.7084 758.2870       88.49802 87.67781 4.747594 77.74452 4.705019 9.933289       6.684075 
1 1 1 -4  18 19 o 38.13583 5.959164 191.1635       55.41861 327.8525       91.43243 111.7858       69.67593 48.68974 7.761765 27.58192 9.044419 21.10783       11.91833 
1 1 1 -4  20 1  o 266.4133 3.757437 8607.820       242.1683 8515.438       339.9420 8703.013       345.0709 264.9636 5.302937 267.8629 5.324678 -2.899384      7.514874 
1 1 1 -4  20 2  o 194.8132 3.130166 4599.584       147.5310 4623.921       209.2131 4575.512       208.0723 195.3257 4.427178 194.3007 4.426267 1.025055       6.260331 
1 1 1 -4  20 3  o 375.3584 4.924656 17122.95       447.1800 17298.08       637.8427 16953.66       627.1100 377.2394 6.988664 373.4774 6.940282 3.762024       9.849312 
1 1 1 -4  20 4  o 191.6024 3.109879 4449.221       144.1498 4521.169       205.1713 4379.085       202.5708 193.1325 4.390955 190.0723 4.405100 3.060165       6.219759 
1 1 1 -4  20 5  o 202.7187 3.191478 4981.634       156.5125 5059.507       223.0786 4906.141       219.6456 204.2787 4.513700 201.1588 4.513164 3.119858       6.382957 
1 1 1 -4  20 6  o 150.4354 2.920777 2735.628       106.1402 2601.545       145.2785 2889.136       155.4468 146.4954 4.098972 154.3754 4.161992 -7.880035      5.841554 
1 1 1 -4  20 7  o 245.2188 5.074942 7301.598       301.0836 0.000000       0.000000 7301.598       301.0836 ?        ?        245.2188 5.074942 ?              ?        
1 1 1 -4  20 8  o 59.89780 3.819474 437.3514       55.21564 463.3771       77.17839 410.0636       79.02785 61.74104 5.166774 58.05455 5.626543 3.686485       7.638948 
1 1 1 -4  20 9  o 66.19587 3.680377 531.6011       58.62215 548.8644       88.18512 517.9315       78.47102 67.13824 5.429039 65.25349 4.970536 1.884750       7.360754 
1 1 1 -4  20 10 o 160.8389 2.917482 3131.080       113.2454 3339.679       167.5332 2955.576       153.6698 165.7403 4.178019 155.9375 4.073200 9.802795       5.834963 
1 1 1 -4  20 11 o 192.0186 3.126893 4479.886       144.9512 4698.563       213.6962 4293.532       197.2714 196.3203 4.499140 187.7170 4.343682 8.603210       6.253786 
1 1 1 -4  20 12 o 69.04544 3.625278 577.2505       60.17508 651.1382       91.54337 521.0324       79.85073 72.87780 5.191936 65.21308 5.061064 7.664719       7.250557 
1 1 1 -4  20 13 o 67.80064 3.739459 555.2076       60.74604 651.5175       94.05316 486.2787       79.56800 72.73766 5.344557 62.86361 5.231628 9.874054       7.478919 
1 1 1 -4  20 14 o 42.15643 5.832484 224.7163       57.93279 308.8021       88.64091 162.0171       76.54274 49.46292 7.407166 34.84994 9.011403 14.61298       11.66497 
1 1 1 -4  20 15 o 126.7480 2.942575 1954.397       89.64381 2189.176       136.6401 1776.986       118.7791 133.3123 4.236485 120.1838 4.084996 13.12850       5.885150 
1 1 1 -4  20 16 o 19.94073 5.992673 -6.574870      55.24949 -83.14605      82.39245 55.98760       74.47520 16.36828 7.760113 23.51319 9.133956 -7.144911      11.98535 
1 1 1 -4  20 17 o 15.93399 5.343550 -74.27921      55.18392 -84.89153      82.33531 -65.62395      74.35684 16.07074 7.658440 15.79724 7.454020 0.2734985      10.68710 
1 1 1 -4  20 18 o 27.81069 7.185251 113.7795       62.89994 130.1019       92.72327 99.86546       85.60985 29.12218 10.40507 26.49920 9.911906 2.622982       14.37050 
1 1 1 -4  22 1  f 121.3873 2.959013 1784.214       86.82860 1882.996       125.4730 1693.439       120.2799 124.6081 4.161998 118.1665 4.207232 6.441582       5.918026 
1 1 1 -4  22 2  o 123.1942 2.942152 1837.478       87.61241 1941.533       126.8238 1742.487       121.1745 126.5261 4.143033 119.8624 4.178554 6.663719       5.884304 
1 1 1 -4  22 3  o 129.8900 4.026866 2046.193       126.5451 2046.193       126.5451 0.000000       0.000000 129.8900 4.026866 ?        ?        ?              ?        
1 1 1 -4  22 4  o 135.0097 2.896875 2211.374       94.60515 2270.815       134.3766 2152.956       133.2147 136.8121 4.059730 133.2073 4.133538 3.604782       5.793750 
1 1 1 -4  22 5  o 227.2010 3.400730 6254.093       186.6268 6605.208       273.6394 5948.738       255.1862 233.1365 4.851388 221.2655 4.766957 11.87097       6.801459 
1 1 1 -4  22 6  o 234.0594 3.484659 6596.712       196.1906 7293.365       297.6328 6061.430       260.8939 244.8531 5.024267 223.2656 4.829920 21.58757       6.969317 
1 1 1 -4  22 7  o 92.23901 3.716637 1030.918       78.52528 1054.610       135.5147 1018.941       96.34991 92.92761 6.027529 91.55041 4.349994 1.377205       7.433274 
1 1 1 -4  22 8  o 79.77785 3.483295 769.5630       66.94939 865.8179       99.88620 691.0491       90.21257 84.27325 4.899068 75.28244 4.953032 8.990807       6.966591 
1 1 1 -4  22 9  o 191.1947 3.164688 4437.480       145.9789 4731.738       216.5985 4192.583       197.5979 196.9511 4.545638 185.4384 4.404336 11.51271       6.329376 
1 1 1 -4  22 10 o 102.1671 3.075342 1273.571       75.97494 1333.097       109.1035 1217.532       105.8595 104.4902 4.315794 99.84409 4.382332 4.646095       6.150684 
1 1 1 -4  22 11 o 61.96461 3.964849 473.2727       59.42859 478.5239       85.01167 468.2537       83.11005 62.29372 5.640687 61.63552 5.573400 0.6581993      7.929699 
1 1 1 -4  22 12 o 83.16805 3.410497 844.4550       68.35448 941.9451       101.9715 764.9024       92.11404 87.49475 4.817198 78.84135 4.829136 8.653397       6.820993 
1 1 1 -4  22 13 o 71.89235 3.676942 635.0615       63.65011 724.1061       94.98460 562.4868       85.75154 76.44718 5.135579 67.33752 5.263595 9.109657       7.353883 
1 1 1 -4  22 14 o 88.39566 3.398504 959.5226       71.59258 1032.687       112.9282 910.3568       92.57326 91.02209 5.128062 85.76923 4.461200 5.252869       6.797009 
1 1 1 -4  22 15 o 51.32980 5.513424 348.3429       65.70777 436.5316       96.73239 272.7907       89.53416 58.09029 6.882814 44.56931 8.615003 13.52098       11.02685 
1 1 1 -4  22 16 o 63.18250 4.288128 516.0983       65.21015 588.7456       94.49529 450.0468       90.10354 67.61311 5.776662 58.75188 6.338956 8.861221       8.576257 
1 1 1 -4  22 17 o 32.65688 7.119115 161.7565       68.27545 266.5988       100.4398 71.69532       93.09064 40.96495 10.17911 24.34880 9.955551 16.61614       14.23823 
1 1 1 -4  24 1  o 189.1294 3.133704 4329.145       143.0123 4655.580       211.8021 4055.607       193.8835 195.6403 4.474758 182.6185 4.388275 13.02176       6.267409 
1 1 1 -4  24 2  o 56.72837 4.416873 393.6287       60.61869 396.0894       85.62871 391.1566       85.82718 56.90881 6.219244 56.54793 6.273441 0.3608742      8.833745 
1 1 1 -4  24 3  o 65.69238 3.843002 524.2205       60.93277 568.1833       89.88115 486.8334       82.88704 68.22775 5.445093 63.15700 5.424539 5.070744       7.686004 
1 1 1 -4  24 4  o 57.91708 4.211031 409.1204       58.89761 442.8316       86.13994 379.5237       80.71234 60.15385 5.918870 55.68032 5.991505 4.473526       8.422063 
1 1 1 -4  24 5  o 45.67178 5.357486 268.4639       56.25012 206.3825       82.07068 323.4630       77.24759 40.00368 8.725444 51.33987 6.219105 -11.33619      10.71497 
1 1 1 -4  24 6  o 161.7380 2.944299 3170.376       114.8723 3427.281       170.5851 2957.216       155.3849 167.6884 4.204706 155.7875 4.122623 11.90086       5.888597 
1 1 1 -4  24 7  o 71.09650 3.904072 621.0163       66.69651 617.2034       100.1370 624.0565       89.41695 70.83724 5.842927 71.35574 5.179510 -0.5185013     7.808145 
1 1 1 -4  24 8  o 21.00587 6.122791 -1.714486      55.86833 -83.24736      83.32652 64.86940       75.30112 16.90041 7.948880 25.11133 9.315020 -8.210913      12.24558 
1 1 1 -4  24 9  o 85.67709 3.362644 896.9765       69.53257 964.2905       102.7661 840.1406       94.42976 88.61806 4.793199 82.73614 4.717494 5.881920       6.725288 
1 1 1 -4  24 10 o 134.5675 2.967792 2210.785       96.41206 2377.173       142.0472 2068.660       131.2826 139.2337 4.216828 129.9012 4.177261 9.332458       5.935583 
1 1 1 -4  24 11 o 98.79890 3.320755 1199.725       79.11675 1344.490       115.7361 1072.731       108.3998 104.4179 4.581332 93.17993 4.808436 11.23794       6.641510 
1 1 1 -4  24 12 o 32.94696 6.972246 146.0346       61.94343 97.02666       85.97674 198.9297       89.32144 27.99355 10.01752 37.90037 9.700422 -9.906822      13.94449 
1 1 1 -4  24 13 o 27.95010 6.623362 87.63016       63.17259 -26.69887      94.49153 180.0306       84.94770 20.18209 9.110253 35.71811 9.616598 -15.53601      13.24672 
1 1 1 -4  24 14 o 40.67725 6.308844 235.1174       62.76472 150.8549       88.19100 321.6010       89.34571 32.14415 10.14349 49.21035 7.504383 -17.06619      12.61769 
1 1 1 -4  24 15 o 34.82413 7.235551 190.7122       65.91135 216.1653       89.22572 160.1404       97.78691 37.71893 9.717516 31.92935 10.72300 5.789577       14.47110 
1 1 1 -4  24 16 o 39.35352 6.986463 256.9620       71.65219 146.9568       100.5985 370.2330       102.0808 29.36998 10.78958 49.33707 8.878496 -19.96709      13.97293 
1 1 1 -4  26 1  o 49.95340 4.864857 309.4245       58.24100 309.3922       88.56869 309.4491       77.30578 49.86647 7.341238 50.04034 6.385419 -0.1738739     9.729714 
1 1 1 -4  26 2  o 77.35287 3.484291 727.9001       64.96329 811.3069       96.70615 659.3096       87.69706 81.36407 4.912687 73.34168 4.942331 8.022392       6.968582 
1 1 1 -4  26 3  f 112.5132 3.063966 1546.082       83.26073 1573.068       121.8067 1522.415       114.0706 113.4044 4.439548 111.6220 4.223976 1.782433       6.127933 
1 1 1 -4  26 4  f 105.1261 3.107355 1343.796       78.75899 1503.950       116.4473 1208.764       106.9250 110.8774 4.340945 99.37490 4.447338 11.50247       6.214709 
1 1 1 -4  26 5  o 128.5096 3.014284 2001.533       93.14516 2198.138       141.6189 1851.640       123.6552 133.9799 4.368971 123.0392 4.154000 10.94069       6.028567 
1 1 1 -4  26 6  o 104.4566 3.163670 1337.627       79.67720 1348.994       117.8651 1328.061       108.1251 104.8074 4.648264 104.1058 4.292884 0.7016220      6.327339 
1 1 1 -4  26 7  o 155.7389 3.153631 2977.312       118.7435 3044.549       171.8061 2915.821       164.3024 157.3929 4.511816 154.0850 4.407390 3.307892       6.307263 
1 1 1 -4  26 8  o 93.98555 3.517463 1082.279       79.61092 1204.872       119.6854 984.9941       106.6179 98.70050 5.012097 89.27059 4.936505 9.429909       7.034927 
1 1 1 -4  26 9  o 66.23757 4.287239 547.5351       68.46671 591.8958       102.1541 511.3560       92.25410 68.62243 6.153006 63.85272 5.971782 4.769711       8.574477 
1 1 1 -4  26 10 f 23.39948 6.747833 36.73397       60.33495 68.16506       91.59744 12.64473       80.18909 25.84663 10.10486 20.95232 8.945654 4.894314       13.49567 
1 1 1 -4  26 11 o 69.98907 4.375124 633.2637       72.91451 721.5598       100.2963 534.2875       106.1892 75.62505 5.481724 64.35309 6.820378 11.27196       8.750249 
1 1 1 -4  26 12 o 26.16312 7.225761 80.13926       66.19545 73.20390       92.17858 87.52424       95.11968 25.55645 10.09218 26.76979 10.34381 -1.213333      14.45152 
1 1 1 -4  26 13 o 56.17454 5.262233 428.9741       71.30746 396.7921       101.1365 460.7865       100.5540 53.80049 7.769969 58.54860 7.098729 -4.748108      10.52447 
1 1 1 -4  26 14 o 27.43574 7.629873 113.4214       74.43682 86.09457       101.0381 145.8589       110.0814 25.33182 10.36629 29.53966 11.19820 -4.207836      15.25975 
1 1 1 -4  28 1  o 98.88562 4.627990 1204.833       110.7205 0.000000       0.000000 1204.833       110.7205 ?        ?        98.88562 4.627990 ?              ?        
1 1 1 -4  28 2  o 60.63161 4.593039 452.3438       66.17609 589.8470       100.7703 348.0797       87.74928 68.71913 6.061114 52.54409 6.902675 16.17504       9.186077 
1 1 1 -4  28 3  o 25.82655 7.026505 67.11921       61.34843 61.80371       95.65276 70.83370       79.96040 26.05091 10.28277 25.60220 9.578711 0.4487057      14.05301 
1 1 1 -4  28 4  o 119.2407 3.130110 1738.966       89.72882 1873.114       136.4277 1636.700       119.1178 123.1837 4.577696 115.2978 4.270253 7.885933       6.260220 
1 1 1 -4  28 5  o 23.96888 6.784694 41.19098       58.83183 79.25388       94.69564 17.26422       75.07944 27.10620 10.35960 20.83155 8.763955 6.274641       13.56939 
1 1 1 -4  28 6  o 90.58109 4.258586 1025.177       90.91878 996.0960       115.5446 1072.457       147.3283 89.29059 5.348620 91.87157 6.628309 -2.580986      8.517172 
1 1 1 -4  28 7  o 50.19694 5.841965 335.7891       69.00768 367.5831       97.03247 303.2516       98.16048 53.23788 7.533453 47.15599 8.930920 6.081890       11.68393 
1 1 1 -4  28 8  o 80.34337 3.992161 814.2867       77.33126 912.3836       112.2748 725.7454       106.6664 85.05064 5.456353 75.63609 5.829032 9.414558       7.984323 
1 1 1 -4  28 9  o 39.42231 7.243513 231.3653       70.43082 263.2036       95.27402 193.0004       104.5842 42.96644 9.424467 35.87818 11.00242 7.088261       14.48703 
1 1 1 -4  28 10 o 47.95892 6.601836 364.4076       73.29729 496.8053       96.61780 184.8986       112.5020 61.58581 6.484466 34.33203 11.50168 27.25378       13.20367 
1 1 1 -4  28 11 o 82.43245 4.790006 880.8222       90.73686 813.3981       110.5998 1019.631       158.6921 78.87593 5.795720 85.98896 7.627993 -7.113029      9.580012 
1 1 1 -4  28 12 o 24.18179 7.880565 -0.5553771     105.1245 115.3004       165.9295 -78.23914      135.8720 28.07153 12.41030 20.29205 9.715851 7.779478       15.76113 
1 1 1 -3  1  2  o 275.0898 3.696574 9160.757       245.9886 9057.100       344.3806 9268.737       351.4893 273.5024 5.204454 276.6772 5.250932 -3.174774      7.393147 
1 1 1 -3  1  3  o 270.3616 5.161397 8849.974       337.6095 0.000000       0.000000 8849.974       337.6095 ?        ?        270.3616 5.161397 ?              ?        
1 1 1 -3  1  4  o 486.2983 8.708325 28673.34       1024.565 0.000000       0.000000 28673.34       1024.565 ?        ?        486.2983 8.708325 ?              ?        
1 1 1 -3  1  5  o 405.3076 10.39242 19928.62       1019.070 0.000000       0.000000 19928.62       1019.070 ?        ?        405.3076 10.39242 ?              ?        
1 1 1 -3  1  6  o 206.4753 3.444297 5103.557       147.4088 5051.986       168.9134 5268.293       301.8959 204.3359 3.416781 208.6147 5.981498 -4.278809      6.888593 
1 1 1 -3  1  7  o 104.9380 2.488174 1271.030       58.20557 1183.867       68.84040 1489.590       109.0090 98.92124 2.876415 110.9548 4.060823 -12.03354      4.976348 
1 1 1 -3  1  8  o 517.8844 7.538876 32481.71       818.9418 32470.10       946.1625 32516.36       1635.139 517.8945 7.551306 517.8742 13.05053 0.2032471E-01  15.07775 
1 1 1 -3  1  9  o 231.0875 3.741141 6497.079       182.3748 6533.270       211.6238 6392.624       359.5226 232.3701 3.764280 229.8048 6.466432 2.565247       7.482282 
1 1 1 -3  1  10 o 551.4958 8.119208 36052.56       908.2647 35362.84       1028.821 38489.00       1933.670 540.2769 7.870845 562.7148 14.20338 -22.43799      16.23842 
1 1 1 -3  1  11 o 135.5197 2.318669 2219.927       75.97585 2138.852       105.2796 2308.038       109.7521 132.9409 3.273281 138.0985 3.284895 -5.157639      4.637338 
1 1 1 -3  1  12 o 165.2480 2.598431 3305.833       103.8826 3300.643       147.2569 3310.975       146.5700 165.1185 3.686188 165.3775 3.663248 -0.2590332     5.196861 
1 1 1 -3  1  13 o 351.7784 6.531992 15015.28       555.9261 0.000000       0.000000 15015.28       555.9261 ?        ?        351.7784 6.531992 ?              ?        
1 1 1 -3  1  14 o 208.0997 4.307288 5246.851       216.8590 0.000000       0.000000 5246.851       216.8590 ?        ?        208.0997 4.307288 ?              ?        
1 1 1 -3  3  2  o 543.9503 9.659049 36001.66       1270.839 36490.18       1821.549 35538.37       1773.876 547.5222 13.75108 540.3784 13.56822 7.143799       19.31810 
1 1 1 -3  3  3  o 429.7237 5.465133 22368.00       567.9456 21982.27       789.3928 22781.93       817.7504 425.8921 7.661102 433.5552 7.796041 -7.663086      10.93027 
1 1 1 -3  3  4  o 335.9421 4.383684 13663.42       356.2242 13843.26       509.8467 13491.89       497.9193 338.0993 6.232942 333.7849 6.165808 4.314453       8.767368 
1 1 1 -3  3  5  o 219.5835 3.112794 5830.079       165.2731 5987.696       238.7391 5685.025       229.0263 222.4301 4.436369 216.7369 4.367673 5.693130       6.225587 
1 1 1 -3  3  6  o 242.4455 3.355188 7095.225       196.4780 7419.644       288.1685 6813.397       268.5874 247.6099 4.810344 237.2810 4.678648 10.32887       6.710377 
1 1 1 -3  3  7  o 586.0121 7.308914 41590.46       1036.021 42095.63       1483.707 41109.78       1447.282 589.4784 10.40347 582.5457 10.26883 6.932678       14.61783 
1 1 1 -3  3  8  o 401.2696 5.137844 19488.27       498.7103 19699.89       713.0888 19285.68       697.7277 403.3997 7.306438 399.1395 7.225352 4.260254       10.27569 
1 1 1 -3  3  9  o 407.8521 6.046915 19984.55       510.8581 19834.02       585.5912 20464.01       1045.067 404.7951 5.979391 410.9091 10.51226 -6.113953      12.09383 
1 1 1 -3  3  10 o 205.6704 3.484481 4916.233       143.8707 4764.121       161.8338 5489.590       314.1951 198.4214 3.371154 212.9194 6.099325 -14.49806      6.968963 
1 1 1 -3  3  11 o 302.3180 4.610417 11281.20       299.3173 11532.11       352.3373 10630.58       567.3639 308.6052 4.719034 296.0308 7.921774 12.57443       9.220835 
1 1 1 -3  3  12 o 268.7939 4.201964 8922.885       242.0916 9122.660       284.6776 8400.952       460.1396 274.4659 4.287090 263.1220 7.228199 11.34384       8.403928 
1 1 1 -3  3  13 o 185.6208 3.261352 4038.043       122.3556 3931.737       138.1537 4424.747       263.4949 180.2170 3.168577 191.0247 5.701385 -10.80769      6.522705 
1 1 1 -3  3  14 o 79.88017 2.487050 761.0164       39.17687 752.7126       43.97212 792.9804       86.27266 78.86393 2.304606 80.89642 4.408000 -2.032494      4.974101 
1 1 1 -3  3  15 o 100.9820 4.456904 1236.169       108.8879 0.000000       0.000000 1236.169       108.8879 ?        ?        100.9820 4.456904 ?              ?        
1 1 1 -3  3  16 o 230.2972 4.614686 6436.561       257.1184 0.000000       0.000000 6436.561       257.1184 ?        ?        230.2972 4.614686 ?              ?        
1 1 1 -3  3  17 f 59.40306 2.716430 427.6021       39.03999 0.000000       0.000000 427.6021       39.03999 ?        ?        59.40306 2.716430 ?              ?        
1 1 1 -3  5  1  o 507.2756 6.380936 31161.63       782.2359 32120.32       1139.465 30307.11       1075.777 514.6259 9.151814 499.9253 8.894362 14.70065       12.76187 
1 1 1 -3  5  2  o 225.8986 3.196697 6176.820       174.7098 6178.391       247.1944 6175.253       246.9596 225.9273 4.522386 225.8700 4.519237 0.5728149E-01  6.393393 
1 1 1 -3  5  3  o 135.5846 2.349378 2222.321       77.02905 2301.018       110.9962 2149.208       106.9855 137.8978 3.326967 133.2714 3.318071 4.626404       4.698756 
1 1 1 -3  5  4  o 269.6632 3.660699 8801.626       238.8173 8856.035       339.8181 8748.528       335.6970 270.4860 5.192772 268.8403 5.161201 1.645691       7.321399 
1 1 1 -3  5  5  o 500.6271 6.296857 30361.42       762.6486 30524.99       1084.193 30201.22       1072.990 501.9598 8.927613 499.2944 8.882530 2.665436       12.59371 
1 1 1 -3  5  6  o 831.0120 12.61173 83420.31       2368.358 85318.27       4198.457 82534.48       2868.285 837.2421 20.72700 824.7819 14.37411 12.46027       25.22347 
1 1 1 -3  5  7  o 869.9320 10.71501 91820.95       2255.142 91548.65       3179.127 92096.73       3199.475 868.6383 15.12748 871.2256 15.17909 -2.587341      21.43002 
1 1 1 -3  5  8  o 774.1912 9.563425 72705.70       1791.256 72932.42       2541.379 72481.88       2525.138 775.3870 13.54717 772.9954 13.50224 2.391602       19.12685 
1 1 1 -3  5  9  o 571.5068 7.139425 39577.31       986.9113 40129.75       1414.940 39053.93       1377.230 575.3817 10.16435 567.6320 10.02853 7.749695       14.27885 
1 1 1 -3  5  10 o 234.5471 3.294641 6659.100       186.9468 6715.490       266.0380 6604.092       262.7580 235.5275 4.668739 233.5666 4.649892 1.960953       6.589281 
1 1 1 -3  5  11 o 352.0182 4.590365 15018.52       390.8776 14859.56       546.7523 15184.69       559.0206 350.1177 6.454673 353.9187 6.528629 -3.801025      9.180730 
1 1 1 -3  5  12 o 131.2012 2.780414 2077.384       74.65488 2071.279       85.20374 2097.561       154.8981 130.8223 2.691997 131.5801 4.865794 -0.7577820     5.560828 
1 1 1 -3  5  13 o 164.8700 3.072394 3323.056       105.5367 3352.716       121.8139 3233.790       211.3305 166.4208 3.025428 163.3192 5.348384 3.101624       6.144789 
1 1 1 -3  5  14 o 152.5376 2.966434 2874.986       94.67240 2932.745       109.8245 2707.912       186.7855 155.6431 2.916534 149.4322 5.166503 6.210846       5.932868 
1 1 1 -3  5  15 o 83.29222 2.773621 880.8931       44.97799 910.8277       50.85395 773.3492       96.38961 86.74306 2.423191 79.84137 4.989993 6.901695       5.547241 
1 1 1 -3  5  16 o 92.32404 2.765182 1036.127       56.07564 1039.344       66.63102 1028.317       103.8197 92.62156 2.973460 92.02652 4.662988 0.5950394      5.530364 
1 1 1 -3  5  17 o 33.74619 4.757604 168.3080       37.18773 233.9084       47.08182 59.50030       60.63587 43.85950 4.436977 23.63288 8.417388 20.22663       9.515208 
1 1 1 -3  5  18 o 106.3576 3.120506 1369.496       79.94611 1273.052       107.1156 1490.779       120.1204 102.1775 4.333066 110.5377 4.491632 -8.360199      6.241011 
1 1 1 -3  5  19 o 36.02156 3.451561 158.1194       30.08018 0.000000       0.000000 158.1194       30.08018 ?        ?        36.02156 3.451561 ?              ?        
1 1 1 -3  7  1  o 216.3524 3.110680 5639.914       162.3782 6000.676       240.7916 5339.031       219.9024 222.6679 4.469731 210.0368 4.327451 12.63109       6.221361 
1 1 1 -3  7  2  o 192.5474 2.886438 4480.252       134.3539 4643.117       194.8636 4332.675       185.4928 195.8777 4.111909 189.2172 4.051951 6.660477       5.772876 
1 1 1 -3  7  3  o 725.1219 8.978857 63793.93       1574.803 62965.22       2197.752 64668.45       2257.672 720.2996 12.61140 729.9443 12.78406 -9.644653      17.95771 
1 1 1 -3  7  4  o 516.7715 6.486709 32327.84       810.5566 33003.64       1170.074 31704.31       1123.919 521.9531 9.265731 511.5899 9.080518 10.36313       12.97342 
1 1 1 -3  7  5  o 201.8250 2.979508 4928.582       145.4846 4946.824       206.3542 4910.552       205.1438 202.1963 4.218301 201.4538 4.209016 0.7425385      5.959017 
1 1 1 -3  7  6  o 407.6411 5.215160 20115.79       514.3365 20130.68       728.0801 20100.96       726.6854 407.7915 7.379699 407.4907 7.370999 0.3007813      10.43032 
1 1 1 -3  7  7  o 252.5077 3.491921 7703.686       213.1068 7975.214       310.0587 7460.569       293.3888 256.7173 4.992138 248.2980 4.883913 8.419205       6.983842 
1 1 1 -3  7  8  o 300.5168 4.012218 10930.50       291.6991 10868.29       410.1324 10994.19       414.9597 299.6520 5.657238 301.3816 5.690978 -1.729523      8.024436 
1 1 1 -3  7  9  o 91.52191 2.245489 1009.232       49.61439 936.7051       67.68773 1093.442       72.93658 87.98363 3.179843 95.06019 3.171352 -7.076561      4.490977 
1 1 1 -3  7  10 o 514.6051 6.479882 32154.31       806.7575 32193.58       1142.056 32115.20       1139.803 514.9180 9.167413 514.2922 9.160460 0.6257935      12.95976 
1 1 1 -3  7  11 o 223.0785 3.190785 6020.869       172.0929 5868.210       238.0847 6187.895       249.0368 220.1228 4.470583 226.0342 4.553936 -5.911423      6.381571 
1 1 1 -3  7  12 o 42.73959 3.979198 221.2203       41.14606 0.000000       0.000000 221.2203       41.14606 ?        ?        42.73959 3.979198 ?              ?        
1 1 1 -3  7  13 o 132.8085 2.422968 2131.029       77.76667 2018.066       107.1459 2256.781       113.0487 129.0973 3.430489 136.5197 3.422695 -7.422363      4.845936 
1 1 1 -3  7  14 o 217.4292 3.876258 5797.124       193.9517 5941.818       241.3976 5533.611       325.7681 221.4030 4.506580 213.4554 6.308109 7.947678       7.752516 
1 1 1 -3  7  15 o 238.2896 3.892460 7006.356       196.7169 7129.938       229.6945 6666.270       381.0375 242.5304 3.914553 234.0487 6.729134 8.481720       7.784919 
1 1 1 -3  7  16 o 56.14661 3.218046 377.9240       33.50309 375.1606       36.91388 390.8388       79.80107 55.64690 2.741867 56.64631 5.822839 -0.9994164     6.436093 
1 1 1 -3  7  17 o 34.18867 4.528071 151.2488       26.47330 153.6888       28.81032 138.0131       67.10063 35.58097 3.346785 32.79637 8.415030 2.784607       9.056142 
1 1 1 -3  7  18 o 124.9054 2.949104 1862.387       80.84181 1808.296       95.30056 2001.190       152.6631 121.9524 3.230002 127.8584 4.935174 -5.906052      5.898208 
1 1 1 -3  7  19 o 73.10372 3.384327 653.9612       58.87809 641.9988       76.35691 671.5051       92.47013 72.37881 4.360483 73.82863 5.176955 -1.449814      6.768653 
1 1 1 -3  7  20 o 30.12165 5.500358 108.6319       38.53325 84.28317       46.46131 162.2844       68.96805 25.40343 7.219330 34.83989 8.300423 -9.436460      11.00072 
1 1 1 -3  7  21 o 29.61489 4.392221 108.8862       31.46999 0.000000       0.000000 108.8862       31.46999 ?        ?        29.61489 4.392221 ?              ?        
1 1 1 -3  9  1  o 172.2455 2.736055 3589.164       114.0047 3550.407       159.7206 3629.418       162.7767 171.2979 3.853955 173.1931 3.884715 -1.895218      5.472109 
1 1 1 -3  9  2  o 569.3575 7.120472 39218.42       979.7402 40370.38       1426.690 38190.34       1347.797 577.2464 10.21565 561.4686 9.921946 15.77783       14.24094 
1 1 1 -3  9  3  o 893.8679 11.02825 96890.19       2383.100 94990.75       3293.658 98977.09       3452.365 884.7210 15.38756 903.0149 15.80227 -18.29388      22.05649 
1 1 1 -3  9  4  f 369.4495 4.788269 16514.19       427.8575 16256.44       596.0906 16788.10       614.4929 366.4789 6.722968 372.4201 6.819954 -5.941254      9.576537 
1 1 1 -3  9  5  o 158.1978 2.631594 3024.844       100.6616 3119.986       145.4522 2937.391       139.4514 160.5826 3.743861 155.8131 3.699276 4.769470       5.263187 
1 1 1 -3  9  6  o 217.5367 3.157617 5721.656       166.1017 5867.484       239.6176 5586.765       230.4566 220.2023 4.497743 214.8711 4.433114 5.331192       6.315235 
1 1 1 -3  9  7  o 330.5504 4.352337 13217.54       347.8842 13499.82       501.9200 12956.57       482.6128 333.9422 6.212420 327.1585 6.097310 6.783722       8.704675 
1 1 1 -3  9  8  o 317.0877 4.202733 12174.12       322.3912 12096.54       452.7466 12253.92       459.1817 316.0642 5.920761 318.1111 5.966276 -2.046936      8.405466 
1 1 1 -3  9  9  o 157.0420 2.608382 2984.368       99.09035 2941.478       138.7590 3029.003       141.5527 155.8910 3.679066 158.1929 3.698527 -2.301849      5.216764 
1 1 1 -3  9  10 o 28.55518 4.144384 102.2804       27.65001 98.22775       38.13070 106.7745       40.15375 27.95112 5.827434 29.15924 5.894464 -1.208117      8.288769 
1 1 1 -3  9  11 o 304.1041 4.065398 11202.83       298.9358 11481.84       431.7758 10945.98       414.2846 307.7316 5.799412 300.4767 5.698831 7.254913       8.130796 
1 1 1 -3  9  12 f 151.3044 2.585142 2772.217       94.62986 2798.812       134.1688 2745.892       133.4874 152.0268 3.647785 150.5819 3.664082 1.444839       5.170284 
1 1 1 -3  9  13 o 23.80542 3.937422 52.23288       29.82367 146.4379       44.16198 -26.75327      40.43775 34.74770 5.253154 12.86313 5.866647 21.88457       7.874845 
1 1 1 -3  9  14 o 144.0668 2.562701 2514.372       89.31799 2476.584       125.7873 2552.800       126.8489 142.9743 3.636438 145.1592 3.611934 -2.184830      5.125402 
1 1 1 -3  9  15 o 144.7163 2.555035 2537.371       89.42589 2600.080       128.5704 2478.603       124.4641 146.4459 3.628788 142.9866 3.597878 3.459244       5.110071 
1 1 1 -3  9  16 o 108.9409 2.824223 1466.449       62.83119 1488.994       71.99455 1394.408       128.6948 110.8463 2.684579 107.0355 4.969707 3.810753       5.648447 
1 1 1 -3  9  17 o 87.38853 2.979301 966.0759       51.70937 995.1859       58.84039 867.3409       108.3653 90.57243 2.685203 84.20464 5.319269 6.367783       5.958602 
1 1 1 -3  9  18 f 138.2139 3.001059 2369.353       85.17806 2401.423       97.83317 2268.888       173.1578 140.5602 2.876879 135.8677 5.267731 4.692459       6.002118 
1 1 1 -3  9  19 o 47.25659 4.174475 267.2506       34.85646 262.5258       37.88846 293.2778       88.92506 46.37600 3.376847 48.13718 7.635567 -1.761173      8.348950 
1 1 1 -3  9  20 o 83.32309 3.119771 822.5046       54.27178 789.3969       62.05030 930.2797       111.9537 80.32565 3.192915 86.32052 5.360706 -5.994865      6.239542 
1 1 1 -3  11 1  o 891.8152 10.98582 96417.16       2368.182 98914.20       3438.222 94163.20       3266.594 902.7505 15.74214 880.8799 15.32767 21.87067       21.97163 
1 1 1 -3  11 2  o 873.9384 10.76824 92688.67       2276.810 92825.62       3224.227 92552.45       3215.582 874.5806 15.23784 873.2963 15.21934 1.284302       21.53648 
1 1 1 -3  11 3  o 687.4685 8.524941 57266.29       1417.373 56398.71       1972.357 58192.77       2038.200 682.0991 11.95186 692.8379 12.15942 -10.73877      17.04988 
1 1 1 -3  11 4  o 415.6475 5.327355 20915.56       535.6836 21073.55       763.0822 20762.05       752.1774 417.1936 7.560167 414.1013 7.507778 3.092316       10.65471 
1 1 1 -3  11 5  o 272.0487 5.272670 8957.465       347.0400 8957.465       347.0400 0.000000       0.000000 272.0487 5.272670 ?        ?        ?              ?        
1 1 1 -3  11 6  o 293.7422 3.960074 10431.63       281.1653 10145.33       387.5331 10749.83       408.5546 289.4949 5.533064 297.9896 5.666915 -8.494720      7.920147 
1 1 1 -3  11 7  o 331.5571 4.379272 13239.62       349.8180 14116.90       524.5973 12537.17       469.4229 341.3801 6.351636 321.7342 6.030658 19.64584       8.758545 
1 1 1 -3  11 8  o 303.4462 5.747327 11172.42       421.9379 11204.04       597.6155 11140.99       595.8092 303.8743 8.128784 303.0182 8.127111 0.8561096      11.49465 
1 1 1 -3  11 9  o 398.5590 6.266570 19458.17       576.9950 19846.98       720.4374 18762.64       963.5787 404.4306 7.362917 392.6873 10.14234 11.74332       12.53314 
1 1 1 -3  11 10 o 232.0071 3.311081 6520.455       185.8413 6466.073       260.9216 6576.449       264.7591 231.0264 4.668164 232.9877 4.696944 -1.961319      6.622163 
1 1 1 -3  11 11 o 100.8193 2.401653 1230.190       58.56709 1266.591       83.73981 1195.336       81.94219 102.2789 3.384103 99.35963 3.408751 2.919273       4.803305 
1 1 1 -3  11 12 o 111.9154 2.446787 1516.510       66.24364 1488.340       93.01123 1545.509       94.36884 110.8606 3.467814 112.9702 3.452728 -2.109596      4.893574 
1 1 1 -3  11 13 o 252.6543 3.541076 7737.540       216.3504 7914.409       311.8878 7573.495       300.3685 255.4299 5.046896 249.8787 4.968472 5.551224       7.082152 
1 1 1 -3  11 14 o 28.00705 4.886765 97.47907       34.14217 142.0570       49.83516 58.04844       46.86979 33.62246 6.359334 22.39163 7.421641 11.23083       9.773530 
1 1 1 -3  11 15 o 192.0732 2.959555 4453.445       137.0614 4805.012       204.4059 4166.243       184.7495 198.9089 4.247534 185.2375 4.122417 13.67142       5.919110 
1 1 1 -3  11 16 o 23.52908 4.934502 61.45612       32.10257 108.3316       49.02417 26.26607       42.47637 29.11246 7.037991 17.94570 6.918375 11.16676       9.869004 
1 1 1 -3  11 17 o 65.55379 2.737257 509.5123       42.81627 632.5674       67.14777 425.1986       55.58154 72.04481 3.852357 59.06278 3.889685 12.98203       5.474514 
1 1 1 -3  11 18 o 70.71317 3.306663 597.1655       46.92694 584.2159       52.93024 644.7352       101.4474 69.25654 3.158936 72.16981 5.810095 -2.913269      6.613326 
1 1 1 -3  11 19 o 40.96912 5.586035 218.9663       41.28198 219.1758       45.39867 217.9655       99.21298 42.16930 4.449841 39.76894 10.24764 2.400352       11.17207 
1 1 1 -3  11 20 o 25.18929 6.645508 84.13133       41.08521 84.13133       41.08521 0.000000       0.000000 25.18929 6.645508 ?        ?        ?              ?        
1 1 1 -3  13 1  o 534.9650 6.727876 34652.16       870.2383 33979.50       1205.565 35383.99       1257.482 529.5583 9.409673 540.3717 9.618487 -10.81342      13.45575 
1 1 1 -3  13 2  o 641.5497 7.996232 49668.04       1236.202 52582.27       1850.094 47317.46       1661.569 658.4221 11.61414 624.6772 10.99412 33.74493       15.99246 
1 1 1 -3  13 3  o 475.6625 6.035632 27335.60       692.9623 26321.14       942.0814 28531.56       1022.892 466.0912 8.354399 485.2338 8.713177 -19.14258      12.07126 
1 1 1 -3  13 4  o 683.3727 8.515514 56524.62       1403.746 54325.69       1899.943 59167.85       2083.064 668.8563 11.74101 697.8892 12.33712 -29.03290      17.03103 
1 1 1 -3  13 5  o 204.3671 3.093967 5037.214       152.6367 4787.676       207.5478 5331.162       225.2601 198.8768 4.313519 209.8575 4.436675 -10.98067      6.187935 
1 1 1 -3  13 6  o 234.4838 3.358269 6651.886       190.4098 6487.188       263.9514 6830.588       274.9451 231.4620 4.713484 237.5057 4.784866 -6.043686      6.716537 
1 1 1 -3  13 7  o 242.8647 3.434315 7142.395       201.7642 7055.125       282.4181 7233.370       288.3497 241.3511 4.836608 244.3784 4.877018 -3.027298      6.868630 
1 1 1 -3  13 8  o 234.2593 4.102353 6621.635       218.3597 6741.226       382.7152 6563.915       265.8838 235.7382 6.710323 232.7804 4.721098 2.957809       8.204706 
1 1 1 -3  13 10 o 107.2198 2.511355 1388.195       65.05273 1485.922       94.82335 1301.304       89.41185 110.7751 3.538107 103.6645 3.565026 7.110550       5.022709 
1 1 1 -3  13 11 f 166.1212 2.777663 3341.712       111.6031 3396.057       160.2281 3290.502       155.5377 167.4308 3.955496 164.8116 3.900730 2.619263       5.555325 
1 1 1 -3  13 12 o 223.9144 3.280964 6074.968       177.6615 6222.112       255.9583 5938.171       246.7948 226.5255 4.670354 221.3033 4.609414 5.222198       6.561928 
1 1 1 -3  13 13 o 104.3410 2.606532 1319.407       65.78079 1363.224       93.59858 1276.641       92.46790 106.0546 3.647852 102.6273 3.724140 3.427376       5.213065 
1 1 1 -3  13 14 o 54.07799 3.379513 358.2611       43.85766 316.2707       63.36175 396.8837       60.76774 50.99196 5.135977 57.16401 4.393879 -6.172050      6.759026 
1 1 1 -3  13 15 o 103.1018 2.593591 1270.757       64.15798 1511.825       97.70642 1088.024       85.06717 111.5672 3.619797 94.63641 3.715364 16.93079       5.187182 
1 1 1 -3  13 16 o 71.59561 2.879976 613.3742       49.34966 754.5026       75.34321 507.3329       65.30923 78.69139 3.957442 64.49984 4.185175 14.19155       5.759952 
1 1 1 -3  13 17 o 77.07373 3.718165 737.0127       64.69565 747.9669       78.85498 714.4557       113.1567 78.20366 4.167732 75.94379 6.158653 2.259865       7.436330 
1 1 1 -3  13 18 f 13.90907 4.629622 -46.81316      36.80309 -66.57941      67.60737 -38.48904      43.87335 15.20025 7.152569 12.61788 5.879999 2.582364       9.259245 
1 1 1 -3  13 19 o 37.29943 6.175055 194.5963       52.48329 208.5225       62.61147 161.6895       96.24573 40.55622 6.381079 34.04265 10.57388 6.513569       12.35011 
1 1 1 -3  13 20 o 27.88888 6.451791 99.47736       43.38398 95.02949       48.51270 117.2397       96.94605 26.44036 7.329310 29.33740 10.61996 -2.897043      12.90358 
1 1 1 -3  15 1  o 158.2370 3.892045 3030.798       149.0006 3030.798       149.0006 0.000000       0.000000 158.2370 3.892045 ?        ?        ?              ?        
1 1 1 -3  15 2  o 356.0647 4.676335 15310.00       401.8108 16114.24       594.6888 14634.43       545.0438 364.6247 6.741265 347.5048 6.482885 17.11990       9.352671 
1 1 1 -3  15 3  o 190.7398 3.004414 4401.840       138.5730 4320.128       192.2810 4490.142       199.8838 188.9008 4.207268 192.5788 4.290093 -3.677979      6.008827 
1 1 1 -3  15 4  o 256.3235 3.608701 7947.168       223.5757 7715.658       308.0680 8204.789       324.9766 252.3888 5.045151 260.2582 5.161138 -7.869339      7.217402 
1 1 1 -3  15 5  f 125.4819 2.635977 1905.052       79.98644 1942.291       115.2941 1870.498       111.0605 126.6625 3.762327 124.3013 3.693019 2.361160       5.271954 
1 1 1 -3  15 6  o 416.2148 5.356667 21030.99       539.3947 20939.51       760.0323 21123.83       765.6370 415.3051 7.564190 417.1245 7.586734 -1.819427      10.71333 
1 1 1 -3  15 7  o 187.6719 2.965665 4258.879       134.5417 4086.736       185.7509 4448.860       195.1375 183.6899 4.179682 191.6539 4.208436 -7.964005      5.931330 
1 1 1 -3  15 8  o 128.5420 3.666335 2000.858       114.0196 0.000000       0.000000 2000.858       114.0196 ?        ?        128.5420 3.666335 ?              ?        
1 1 1 -3  15 9  o 101.8319 2.620656 1257.457       64.44705 1170.501       91.17624 1344.281       91.10759 98.30502 3.833573 105.3587 3.574224 -7.053719      5.241313 
1 1 1 -3  15 10 o 131.3120 2.645918 2086.141       83.98190 2145.709       121.9673 2032.437       115.8086 133.0902 3.787871 129.5339 3.695343 3.556229       5.291836 
1 1 1 -3  15 11 o 238.1757 3.446795 6881.061       198.6143 6842.500       280.1476 6920.029       281.6243 237.5047 4.875424 238.8467 4.873585 -1.341980      6.893591 
1 1 1 -3  15 12 o 182.8647 2.948288 4052.362       130.3505 4150.079       188.5534 3962.909       180.4035 184.9692 4.213399 180.7602 4.125151 4.208984       5.896576 
1 1 1 -3  15 13 o 141.5321 2.718856 2427.049       93.01500 2519.475       135.0928 2343.738       128.2592 144.0866 3.875309 138.9775 3.814536 5.109055       5.437711 
1 1 1 -3  15 14 o 81.07486 3.843775 798.7868       75.39568 0.000000       0.000000 798.7868       75.39568 ?        ?        81.07486 3.843775 ?              ?        
1 1 1 -3  15 15 f 27.06588 5.757884 90.99142       41.30983 114.0002       59.72585 69.88914       57.19795 29.76549 8.084440 24.36627 8.200899 5.399218       11.51577 
1 1 1 -3  15 16 o 52.94100 3.583463 339.4102       45.54835 387.8845       69.81859 303.4932       60.09883 56.17287 5.137385 49.70914 4.997209 6.463734       7.166925 
1 1 1 -3  15 17 o 111.2422 2.697692 1504.146       72.11453 1602.518       109.7682 1429.445       95.65329 114.3669 3.967109 108.1175 3.656805 6.249405       5.395385 
1 1 1 -3  15 18 o 29.27469 5.864817 116.7488       42.40745 100.0656       74.15675 124.8559       51.69436 27.83135 9.337987 30.71803 7.098333 -2.886673      11.72963 
1 1 1 -3  15 19 o 64.11270 3.514961 503.0730       53.84811 616.9559       83.94878 423.4601       70.19029 70.13779 4.947205 58.08760 4.994492 12.05019       7.029921 
1 1 1 -3  15 20 o 52.27637 6.595635 376.6767       79.63329 267.1029       102.0495 547.2933       127.3409 41.88297 10.17217 62.66978 8.398609 -20.78681      13.19127 
1 1 1 -3  17 1  o 539.7150 6.815287 35362.22       888.2831 36726.43       1304.688 34183.44       1212.785 549.3371 9.816694 530.0928 9.456483 19.24432       13.63057 
1 1 1 -3  17 2  o 412.7748 5.337902 20595.35       531.3735 19605.35       717.5497 21797.54       790.7184 401.8729 7.380077 423.6768 7.714094 -21.80386      10.67580 
1 1 1 -3  17 3  o 210.1050 3.190485 5347.357       162.1790 5344.298       229.0974 5350.430       229.6149 210.0450 4.508224 210.1650 4.515828 -0.1199799     6.380971 
1 1 1 -3  17 4  o 135.7681 2.708047 2233.490       88.89020 2279.206       124.2448 2185.552       127.2278 137.1954 3.743141 134.3409 3.914456 2.854568       5.416094 
1 1 1 -3  17 5  o 134.2000 3.906336 2181.104       126.8307 2181.104       126.8307 0.000000       0.000000 134.2000 3.906336 ?        ?        ?              ?        
1 1 1 -3  17 6  o 205.0313 3.146356 5088.584       155.9819 4958.891       216.0975 5229.657       225.3784 202.3089 4.415017 207.7537 4.483956 -5.444717      6.292713 
1 1 1 -3  17 7  o 76.27731 2.995443 705.2155       55.23891 737.0004       78.19193 673.5480       78.04749 77.99638 4.143671 74.55824 4.326743 3.438141       5.990885 
1 1 1 -3  17 8  o 44.71941 4.431489 241.7060       47.70714 209.8615       65.28628 278.1939       69.88434 41.56722 6.491852 47.87159 6.033922 -6.304371      8.862977 
1 1 1 -3  17 9  o 166.8047 2.896594 3371.748       116.8883 3425.607       165.9655 3318.738       164.6523 168.1276 4.080154 165.4819 4.112587 2.645706       5.793189 
1 1 1 -3  17 10 o 124.8163 2.705029 1884.037       81.58826 2009.541       118.4548 1770.756       112.5389 128.7638 3.802388 120.8689 3.848449 7.894905       5.410057 
1 1 1 -3  17 11 o 172.0805 2.923456 3582.774       121.5188 3782.842       178.0569 3408.346       166.2565 176.5599 4.168354 167.6011 4.100146 8.958771       5.846911 
1 1 1 -3  17 12 o 68.48631 3.357844 570.6547       55.54361 566.1707       80.75659 574.6801       76.51591 68.21967 4.892896 68.75294 4.600004 -0.5332718     6.715688 
1 1 1 -3  17 13 o 63.65845 3.433305 487.0405       52.25247 606.6120       78.78002 393.1190       69.82080 70.55907 4.614885 56.75782 5.084600 13.80126       6.866609 
1 1 1 -3  17 14 o 60.86543 3.612681 449.7262       52.94202 495.7809       79.79255 413.5071       70.76106 63.61361 5.184537 58.11725 5.032537 5.496357       7.225362 
1 1 1 -3  17 15 o 19.67130 5.857946 9.536025       47.38662 15.55573       69.90635 4.418600       64.45472 20.43274 8.516547 18.90985 8.045529 1.522886       11.71589 
1 1 1 -3  17 16 o 25.84417 6.256973 73.27654       48.43612 119.7149       73.83214 38.19036       64.17637 30.22173 9.240487 21.46660 8.438736 8.755127       12.51395 
1 1 1 -3  17 17 o 26.33253 6.309017 88.22796       48.84662 59.09644       76.58486 108.2057       63.42123 24.16306 9.296861 28.50200 8.531304 -4.338943      12.61803 
1 1 1 -3  17 18 o 19.09172 5.543866 -7.001489      48.75624 -111.4466      75.26069 68.53364       64.00274 14.36090 6.963716 23.82254 8.628119 -9.461648      11.08773 
1 1 1 -3  17 19 o 47.32491 4.827581 297.2799       54.48742 292.1051       83.66237 301.0916       71.80360 46.59325 7.421725 48.05656 6.175771 -1.463310      9.655162 
1 1 1 -3  17 20 f 41.25954 8.404416 300.3912       87.56743 259.9643       114.0390 358.4771       136.6954 38.32815 11.43260 44.19092 12.32203 -5.862774      16.80883 
1 1 1 -3  19 1  o 160.0073 2.885229 3101.276       111.6827 3095.847       156.8687 3106.855       159.0401 159.8666 4.055797 160.1479 4.104715 -0.2813110     5.770457 
1 1 1 -3  19 2  o 161.8062 2.919463 3170.093       114.2585 3242.857       163.8539 3101.223       159.4095 163.6120 4.139418 160.0004 4.118044 3.611618       5.838927 
1 1 1 -3  19 3  o 236.9847 3.456099 6806.606       198.1260 6743.463       277.2951 6872.459       283.1826 235.8649 4.859332 238.1045 4.915828 -2.239594      6.912197 
1 1 1 -3  19 4  o 23.47757 6.167943 48.26246       47.38810 26.48885       65.23577 72.58770       68.95235 21.11812 8.441728 25.83702 8.995073 -4.718901      12.33589 
1 1 1 -3  19 5  o 233.9193 3.446393 6634.261       195.0405 6629.892       274.9405 6638.687       276.7260 233.8433 4.859722 233.9952 4.888107 -0.1519470     6.892786 
1 1 1 -3  19 6  o 225.0487 3.368638 6138.903       183.3678 6052.982       255.8560 6229.642       262.9312 223.4336 4.733091 226.6639 4.794656 -3.230255      6.737275 
1 1 1 -3  19 7  o 259.7563 3.698386 8182.276       232.3232 8378.980       334.6390 7999.255       322.7904 262.7626 5.263937 256.7500 5.196462 6.012604       7.396773 
1 1 1 -3  19 8  o 160.6395 2.916939 3125.458       113.3001 3233.022       163.6429 3026.420       157.0232 163.2897 4.142246 157.9893 4.108034 5.300476       5.833879 
1 1 1 -3  19 9  o 112.8231 2.859418 1547.473       77.88110 1452.549       111.2604 1638.669       109.0538 109.4106 4.203188 116.2355 3.877925 -6.824966      5.718837 
1 1 1 -3  19 10 o 129.6179 2.828354 2033.728       88.42218 2110.399       131.2034 1969.928       119.6846 131.8365 4.113458 127.3992 3.883017 4.437325       5.656709 
1 1 1 -3  19 11 f 43.54521 4.786438 232.3006       50.40580 241.3378       72.31078 223.7588       70.30083 44.37125 6.735952 42.71917 6.801979 1.652084       9.572877 
1 1 1 -3  19 12 o 37.57544 5.879874 185.8822       52.39669 142.9420       82.34356 215.0984       67.92178 33.36055 9.652048 41.79033 6.717860 -8.429779      11.75975 
1 1 1 -3  19 13 o 102.3643 2.976972 1257.814       73.08052 1501.647       111.6507 1075.044       96.66451 110.9080 4.160986 93.82059 4.258597 17.08740       5.953945 
1 1 1 -3  19 14 o 36.28785 6.108642 176.0262       52.75731 152.0676       80.46024 194.0955       69.87476 33.91302 9.452647 38.66267 7.740122 -4.749641      12.21728 
1 1 1 -3  19 15 o 23.05912 6.319478 38.45459       51.06549 85.78416       79.96661 5.863763       66.35751 27.00340 9.661271 19.11485 8.148807 7.888552       12.63896 
1 1 1 -3  19 16 o 76.83591 3.528198 735.4477       64.87933 725.9244       98.85281 742.6542       85.99207 76.23636 5.359503 77.43546 4.590037 -1.199097      7.056396 
1 1 1 -3  19 17 o 23.13680 6.398720 52.40021       53.52671 13.01880       84.32673 78.97462       69.27100 21.15731 9.106583 25.11628 8.991363 -3.958961      12.79744 
1 1 1 -3  19 18 f 49.33431 5.276578 327.8402       60.93917 394.3568       90.11373 271.7883       82.72196 54.55247 6.827697 44.11615 8.046842 10.43631       10.55316 
1 1 1 -3  19 19 o 25.13741 6.733971 84.31792       53.75257 127.6170       93.08607 62.65715       65.83889 28.15613 10.37357 22.11869 8.589211 6.037436       13.46794 
1 1 1 -3  21 1  o 123.9532 2.920809 1861.976       87.58807 1840.262       123.2666 1884.119       124.4787 123.2232 4.134766 124.6833 4.126525 -1.460114      5.841618 
1 1 1 -3  21 2  o 223.5988 3.369354 6057.458       182.1464 5904.544       251.9686 6224.833       263.6137 220.6515 4.719947 226.5461 4.809602 -5.894531      6.738707 
1 1 1 -3  21 3  o 61.40450 3.928464 458.7248       57.93969 390.4417       80.94450 530.4702       82.97128 56.69441 5.901261 66.11459 5.187142 -9.420185      7.856928 
1 1 1 -3  21 4  o 76.75755 3.472633 716.9492       64.27016 778.2763       90.38718 654.2335       91.40482 80.09866 4.664222 73.41645 5.146043 6.682205       6.945267 
1 1 1 -3  21 5  f 134.0386 2.922771 2178.487       94.77435 2164.030       133.0159 2193.394       135.0701 133.5883 4.115594 134.4888 4.151173 -0.9004822     5.845541 
1 1 1 -3  21 6  o 82.15804 3.331889 820.4678       65.75998 951.1736       94.49477 697.7240       91.57143 88.52872 4.411856 75.78737 4.994142 12.74135       6.663777 
1 1 1 -3  21 7  f 161.0068 3.630592 3254.527       135.6358 3602.233       175.0205 2731.707       214.6146 172.2621 4.199494 149.7515 5.923600 22.51056       7.261184 
1 1 1 -3  21 8  o 152.1270 2.857639 2798.681       104.9444 2995.387       154.7582 2631.221       142.7906 157.0506 4.072974 147.2035 4.009399 9.847122       5.715278 
1 1 1 -3  21 9  o 109.4497 4.135794 1456.605       109.5155 1456.605       109.5155 0.000000       0.000000 109.4497 4.135794 ?        ?        ?              ?        
1 1 1 -3  21 10 o 72.52900 3.425122 642.3105       59.86517 640.9503       88.61967 643.4523       81.19147 72.42859 5.057289 72.62941 4.620570 -0.2008209     6.850244 
1 1 1 -3  21 11 o 21.71303 5.973548 -2.533165      50.11959 98.06488       80.13760 -67.16121      64.23209 28.63046 9.706749 14.79559 6.965065 13.83487       11.94710 
1 1 1 -3  21 12 o 104.0243 2.983002 1299.162       74.34462 1511.146       115.2650 1148.153       97.28526 111.1389 4.286756 96.90961 4.149330 14.22934       5.966005 
1 1 1 -3  21 13 o 28.82577 6.584765 104.1071       55.83884 46.09537       84.45534 149.1610       74.42784 24.14688 9.620571 33.50465 8.993394 -9.357767      13.16953 
1 1 1 -3  21 14 o 44.52638 5.530053 261.0141       56.12749 398.9352       82.76808 143.5920       76.36993 56.43172 6.062298 32.62103 9.250647 23.81069       11.06011 
1 1 1 -3  21 15 o 107.8748 3.095191 1433.840       80.22469 1500.495       121.8482 1382.837       106.5869 109.9584 4.580242 105.7911 4.164398 4.167320       6.190382 
1 1 1 -3  21 16 o 38.48463 6.290854 200.9776       61.85376 318.2753       92.29419 105.3391       83.33860 48.96568 7.790767 28.00359 9.879439 20.96210       12.58171 
1 1 1 -3  21 17 o 25.68404 7.122599 82.77814       64.25013 88.69412       95.95836 77.97066       86.50237 26.28266 10.32304 25.08542 9.816344 1.197237       14.24520 
1 1 1 -3  21 18 f 22.23173 6.788041 42.81253       66.43433 62.24269       99.00388 26.89726       89.60269 23.50674 9.985637 20.95673 9.197666 2.550011       13.57608 
1 1 1 -3  23 1  o 251.8377 3.643378 7711.861       221.9754 7783.840       315.8806 7641.642       311.9968 252.9964 5.160674 250.6790 5.144343 2.317413       7.286756 
1 1 1 -3  23 2  o 64.52290 4.012337 506.8953       62.56900 476.3512       87.75247 538.4823       89.23808 62.53643 5.799946 66.50937 5.545811 -3.972942      8.024674 
1 1 1 -3  23 3  o 93.44319 3.133138 1058.454       70.66837 1164.864       102.3352 961.4534       97.70582 97.93282 4.319110 88.95356 4.539989 8.979263       6.266275 
1 1 1 -3  23 4  o 147.1284 2.899429 2628.552       103.1962 2684.043       146.7804 2574.312       145.1166 148.6664 4.080872 145.5903 4.119859 3.076111       5.798858 
1 1 1 -3  23 5  o 73.27158 3.550414 653.8424       62.92455 636.8567       88.85601 670.9299       89.12208 72.31126 5.079004 74.23190 4.962408 -1.920639      7.100829 
1 1 1 -3  23 6  o 36.12794 6.313683 161.1646       56.83631 246.0190       85.85499 94.96571       75.83224 43.93075 8.383696 28.32514 9.442671 15.60561       12.62737 
1 1 1 -3  23 7  o 93.23997 3.239717 1060.272       72.62806 1055.739       108.8079 1063.914       97.53709 93.01937 4.834871 93.46056 4.313592 -0.4411926     6.479433 
1 1 1 -3  23 8  o 66.51530 3.962130 551.7944       62.65382 466.8128       92.45572 623.9612       85.20011 61.59585 6.204117 71.43475 4.929789 -9.838905      7.924260 
1 1 1 -3  23 9  o 124.0344 4.202645 1878.501       126.1151 1878.501       126.1151 0.000000       0.000000 124.0344 4.202645 ?        ?        ?              ?        
1 1 1 -3  23 10 f 95.93358 3.247007 1101.520       74.35193 1388.039       114.8614 894.8733       97.54664 106.4546 4.459716 85.41255 4.720503 21.04206       6.494014 
1 1 1 -3  23 11 o 85.11659 3.473996 887.6801       71.35324 971.6188       105.2656 816.3300       97.05158 88.82439 4.898375 81.40878 4.927527 7.415611       6.947992 
1 1 1 -3  23 12 o 104.6814 3.188500 1350.020       80.63676 1448.931       115.2561 1255.183       112.8569 108.4859 4.391254 100.8768 4.624177 7.609016       6.377000 
1 1 1 -3  23 13 o 77.46500 3.669080 732.6598       67.91469 849.9390       106.7994 653.0364       87.99927 82.48823 5.351489 72.44176 5.020972 10.04647       7.338160 
1 1 1 -3  23 14 o 19.46479 6.196367 -22.92896      61.24611 -31.17800      90.60046 -15.98698      83.11322 19.50487 8.851437 19.42471 8.673634 0.8015251E-01  12.39273 
1 1 1 -3  23 15 o 19.92583 6.162310 -25.82130      61.25261 59.95417       87.49377 -108.2698      85.78019 24.19966 9.739908 15.65199 7.551849 8.547671       12.32462 
1 1 1 -3  23 16 o 47.92355 6.319901 335.4753       71.31606 280.7127       99.09924 394.3011       102.7099 42.80119 9.783407 53.04592 8.003097 -10.24473      12.63980 
1 1 1 -3  25 1  o 179.4254 3.091588 3917.346       134.0937 4079.751       194.4952 3770.211       185.1259 182.9577 4.393957 175.8932 4.350266 7.064590       6.183177 
1 1 1 -3  25 2  o 182.7462 3.089537 4069.864       136.5778 3981.547       191.4279 4161.433       194.9199 180.7246 4.378099 184.7678 4.360412 -4.043167      6.179073 
1 1 1 -3  25 3  o 53.11295 4.533328 353.5070       57.15131 291.8857       83.78510 407.1271       78.15646 48.59755 7.126070 57.62833 5.605657 -9.030781      9.066656 
1 1 1 -3  25 4  o 59.03591 4.432447 422.6094       61.01276 601.7560       92.61287 285.2376       81.09907 70.04948 5.464673 48.02235 6.980237 22.02713       8.864895 
1 1 1 -3  25 5  o 52.39367 4.585476 337.7902       57.73508 350.3309       87.47754 328.1114       76.85033 53.19825 6.796681 51.58910 6.157232 1.609154       9.170953 
1 1 1 -3  25 6  o 167.5876 3.024394 3423.143       122.3909 3576.798       179.9838 3290.974       166.9265 171.0475 4.349251 164.1277 4.203790 6.919800       6.048788 
1 1 1 -3  25 7  o 148.9435 3.029268 2683.131       108.4539 3000.369       165.2373 2443.030       143.7514 156.5574 4.362466 141.3297 4.204134 15.22775       6.058535 
1 1 1 -3  25 8  o 22.09996 6.679392 5.794447       63.58150 -10.47125      89.08850 22.68023       90.77074 21.00929 9.197188 23.19063 9.688593 -2.181341      13.35878 
1 1 1 -3  25 9  f 83.24906 3.632310 856.8481       73.08939 902.4628       103.6834 811.7912       103.0476 85.49444 5.012670 81.00368 5.258121 4.490753       7.264620 
1 1 1 -3  25 10 o 78.48955 3.935988 767.6059       74.72026 792.8589       106.2041 742.8541       105.1447 79.79436 5.501317 77.18473 5.630587 2.609627       7.871975 
1 1 1 -3  25 11 o 57.00167 4.968101 415.4825       66.90408 536.0590       97.71726 309.0818       91.79363 65.13350 6.201041 48.86985 7.763710 16.26365       9.936201 
1 1 1 -3  25 12 o 30.02051 6.845183 101.6200       66.41047 218.3150       96.02540 -5.367367      91.94463 39.07513 10.08811 20.96589 9.255063 18.10924       13.69037 
1 1 1 -3  25 13 o 37.27114 6.966002 203.4892       63.82773 193.5609       91.33914 212.9642       89.22990 36.24764 10.06010 38.29464 9.638210 -2.047001      13.93200 
1 1 1 -3  25 14 o 56.34856 5.244809 429.7015       70.87010 361.1414       97.36420 506.9578       103.3548 51.20509 7.859299 61.49202 6.947194 -10.28693      10.48962 
1 1 1 -3  25 15 o 54.47448 5.749879 430.3209       75.58574 456.3095       106.3429 403.7860       107.4545 56.52279 7.776473 52.42616 8.471771 4.096630       11.49976 
1 1 1 -3  27 1  o 111.1162 3.131375 1515.091       83.98795 1483.308       122.2291 1543.521       115.6016 109.9556 4.594676 112.2769 4.255702 -2.321297      6.262750 
1 1 1 -3  27 2  o 97.44868 3.286688 1159.127       77.12379 1232.596       116.0165 1100.952       103.2375 100.1561 4.787847 94.74129 4.503974 5.414803       6.573376 
1 1 1 -3  27 3  o 56.95240 4.749219 406.8560       64.84504 389.4791       97.18295 420.8013       87.05943 55.71574 7.209579 58.18907 6.184037 -2.473331      9.498439 
1 1 1 -3  27 4  o 30.87021 7.010345 116.6991       59.18169 160.8136       93.20013 86.89281       76.60906 34.69662 10.33221 27.04379 9.477615 7.652830       14.02069 
1 1 1 -3  27 5  o 23.58854 6.342399 28.22640       59.28623 -84.70014      90.98627 111.5493       78.15558 17.70415 8.320253 29.47292 9.574837 -11.76876      12.68480 
1 1 1 -3  27 6  o 77.40921 3.821119 732.3801       70.95999 875.2497       107.7810 623.0732       94.27486 84.00652 5.303063 70.81190 5.502847 13.19462       7.642238 
1 1 1 -3  27 7  o 49.84975 5.698562 329.2724       65.73546 281.0815       97.42767 369.5432       89.06246 45.67342 9.136009 54.02608 6.813793 -8.352661      11.39712 
1 1 1 -3  27 8  o 99.66435 5.141477 1274.027       123.9219 1318.263       175.6800 1230.220       174.8273 101.4754 7.155813 97.85327 7.384677 3.622169       10.28295 
1 1 1 -3  27 9  o 40.34026 6.640564 226.5211       63.59386 234.1180       91.04637 219.2841       88.86392 41.02085 9.378228 39.65968 9.404105 1.361164       13.28113 
1 1 1 -3  27 10 o 44.64124 6.376346 277.3094       66.47159 295.6927       95.90182 260.3118       92.21648 46.16748 8.908696 43.11501 9.125036 3.052464       12.75269 
1 1 1 -3  27 11 o 58.01926 5.075515 445.8321       71.23577 452.4916       101.7513 439.4302       99.76330 58.43008 7.197824 57.60845 7.157845 0.8216248      10.15103 
1 1 1 -3  27 12 o 47.86147 6.308075 329.7170       71.28311 284.9279       98.27721 379.4395       103.5483 43.60730 9.577214 52.11565 8.212444 -8.508358      12.61615 
1 1 1 -3  27 13 o 36.13203 7.699389 223.1915       72.84370 231.9123       104.7387 215.0215       101.3766 36.76994 10.95394 35.49411 10.82283 1.275826       15.39878 
1 1 1 -3  29 1  o 89.22831 3.539068 987.8694       76.26152 1025.309       111.9674 955.4714       104.1559 90.75557 5.099365 87.70105 4.908817 3.054520       7.078136 
1 1 1 -3  29 2  o 21.00964 6.407410 6.646122       59.15661 -11.49014      91.33711 19.75131       77.64169 20.81380 9.204324 21.20547 8.916280 -0.3916645     12.81482 
1 1 1 -3  29 3  o 69.36981 4.442664 588.0211       70.38378 916.3632       110.2149 361.9035       91.46276 85.61247 5.321095 53.12716 7.115828 32.48531       8.885328 
1 1 1 -3  29 4  o 60.74953 4.839622 463.2770       69.72971 609.6044       106.1111 352.0623       92.50797 69.27337 6.331290 52.22570 7.321373 17.04766       9.679243 
1 1 1 -3  29 5  o 75.55931 3.872726 714.6077       70.60562 780.5056       104.3617 658.9863       95.87957 78.75407 5.477289 72.36456 5.476434 6.389519       7.745452 
1 1 1 -3  29 6  o 76.46921 5.973092 780.8624       110.2399 789.5300       161.7813 773.3492       150.6217 76.62085 8.727282 76.31757 8.157565 0.3032761      11.94618 
1 1 1 -3  29 7  o 26.55408 7.912390 58.01558       86.52753 57.83463       128.0233 58.16776       117.4022 26.86459 11.38061 26.24358 10.99570 0.6210136      15.82478 
1 1 1 -3  29 8  f 25.26130 7.832848 17.00247       94.66048 89.48246       133.7654 -55.70494      133.9751 28.38875 11.80240 22.13384 10.30133 6.254908       15.66570 
1 1 1 -3  29 9  o 83.89909 5.770605 977.7436       116.9093 1016.895       163.3066 936.5854       167.4403 86.03084 7.845984 81.76733 8.464045 4.263504       11.54121 
1 1 1 -3  29 10 o 57.44364 8.828579 566.1553       118.9799 503.6288       160.6502 642.1178       177.0718 53.64050 12.59432 61.24678 12.37572 -7.606289      17.65716 
1 1 1 -3  29 11 o 29.82379 8.746991 124.2459       112.8754 -31.26710      150.7536 322.6651       170.2849 22.17312 10.50771 37.47446 13.98669 -15.30134      17.49398 
1 1 1 -2  0  4  o 247.3017 4.851019 7420.583       409.7519 7420.583       409.7519 7420.583       409.7519 247.3017 6.860377 247.3017 6.860377 0.000000       0.000000 
1 1 1 -2  0  6  o 248.1268 4.848866 7468.173       410.9419 7468.173       410.9419 7468.173       410.9419 248.1268 6.857331 248.1268 6.857331 0.000000       0.000000 
1 1 1 -2  0  7  o 268.7598 3.646252 8749.076       335.0175 8749.076       335.0175 8749.076       335.0175 268.7598 5.156579 268.7598 5.156579 0.000000       0.000000 
1 1 1 -2  0  8  o 338.0676 4.425176 13843.25       511.4646 13843.25       511.4646 13843.25       511.4646 338.0676 6.258144 338.0676 6.258144 0.000000       0.000000 
1 1 1 -2  0  9  o 608.5058 7.613341 44875.70       1583.983 44875.70       1583.983 44875.70       1583.983 608.5058 10.76689 608.5058 10.76689 0.000000       0.000000 
1 1 1 -2  0  10 o 785.0945 9.751196 74802.91       2617.549 74802.91       2617.549 74802.91       2617.549 785.0945 13.79027 785.0945 13.79027 0.000000       0.000000 
1 1 1 -2  0  11 o 215.1561 3.082627 5609.000       226.7197 5609.000       226.7197 5609.000       226.7197 215.1561 4.359493 215.1561 4.359493 0.000000       0.000000 
1 1 1 -2  0  12 o 457.7607 5.841297 25422.57       914.2102 25422.57       914.2102 25422.57       914.2102 457.7607 8.260841 457.7607 8.260841 0.000000       0.000000 
1 1 1 -2  0  13 o 282.1365 3.822698 9649.941       368.7115 9649.941       368.7115 9649.941       368.7115 282.1365 5.406111 282.1365 5.406111 0.000000       0.000000 
1 1 1 -2  0  14 o 95.05893 2.075119 1096.618       67.34650 1096.618       67.34650 1096.618       67.34650 95.05893 2.934661 95.05893 2.934661 0.000000       0.000000 
1 1 1 -2  2  1  o 151.8454 2.436857 2789.280       89.50577 2737.743       125.1042 2843.323       128.1099 150.4092 3.437916 153.2817 3.454538 -2.872498      4.873715 
1 1 1 -2  2  2  o 417.6492 5.320130 21136.81       537.5031 21348.36       767.5674 20933.25       752.9323 419.6957 7.559268 415.6026 7.488164 4.093109       10.64026 
1 1 1 -2  2  3  o 428.4861 6.678975 22282.15       653.1963 22248.66       1129.169 22298.98       800.7802 428.0394 10.90367 428.9328 7.716524 -0.8933716     13.35795 
1 1 1 -2  2  4  o 296.1775 3.935541 10620.91       282.0009 10573.99       397.3073 10668.55       400.3289 295.5187 5.556985 296.8363 5.574393 -1.317566      7.871082 
1 1 1 -2  2  5  o 260.9682 3.548147 8241.923       223.9900 8146.753       313.5382 8341.120       320.1033 259.4307 4.995360 262.5057 5.040215 -3.075073      7.096294 
1 1 1 -2  2  6  o 463.6349 5.862112 26034.61       657.5247 26195.46       935.3931 25877.50       924.4637 465.0488 8.313682 462.2210 8.266809 2.827728       11.72422 
1 1 1 -2  2  7  o 428.4977 6.270669 22406.17       569.5072 22593.16       662.9985 21879.83       1112.325 432.0479 6.342762 424.9476 10.81917 7.100281       12.54134 
1 1 1 -2  2  8  o 425.6339 6.230218 22125.62       562.9797 22333.10       656.1571 21546.70       1096.021 429.5572 6.313708 421.7107 10.74242 7.846497       12.46044 
1 1 1 -2  2  9  o 832.5859 11.92756 83929.41       2068.137 83618.43       2379.479 84889.95       4181.947 830.4400 11.84326 834.7319 20.70757 -4.291870      23.85511 
1 1 1 -2  2  10 o 435.1399 6.424920 22778.37       579.4359 22615.39       664.4730 23295.66       1183.816 432.1537 6.355311 438.1261 11.16819 -5.972351      12.84984 
1 1 1 -2  2  11 o 401.6730 5.927783 19792.57       506.9828 20038.43       592.3920 19119.57       980.1159 406.6817 6.020772 396.6643 10.21297 10.01746       11.85557 
1 1 1 -2  2  12 o 263.3478 4.181242 8265.927       226.0225 8144.179       257.5843 8673.409       471.2419 259.3423 4.105288 267.3532 7.285447 -8.010895      8.362483 
1 1 1 -2  2  13 f 145.2888 2.996598 2560.186       98.70641 2566.433       120.2653 2547.293       172.7741 145.5941 3.414240 144.9836 4.925582 0.6105957      5.993195 
1 1 1 -2  2  14 o 119.9843 2.237397 1740.623       64.90288 1676.695       89.78485 1810.587       93.92834 117.6805 3.153526 122.2882 3.174752 -4.607727      4.474794 
1 1 1 -2  2  15 o 146.0965 3.460606 2585.246       122.3191 0.000000       0.000000 2585.246       122.3191 ?        ?        146.0965 3.460606 ?              ?        
1 1 1 -2  2  16 o 142.1029 3.408130 2447.026       117.1714 0.000000       0.000000 2447.026       117.1714 ?        ?        142.1029 3.408130 ?              ?        
1 1 1 -2  4  1  o 415.3906 5.302161 20905.16       532.7357 21188.12       763.3644 20636.51       743.8197 418.1251 7.546113 412.6561 7.450356 5.468994       10.60432 
1 1 1 -2  4  2  o 218.5163 3.107851 5779.310       164.2962 5737.573       231.0372 5822.009       233.6852 217.7185 4.386159 219.3141 4.404153 -1.595612      6.215703 
1 1 1 -2  4  3  o 290.6833 3.880473 10229.04       272.8716 10335.62       389.4639 10126.27       382.4298 292.1693 5.509731 289.1974 5.465817 2.971954       7.760947 
1 1 1 -2  4  4  o 219.2924 3.116404 5819.852       165.3328 5774.104       232.4340 5866.703       235.2226 218.4204 4.398496 220.1644 4.416007 -1.743988      6.232807 
1 1 1 -2  4  5  o 372.5967 4.804025 16808.31       433.0202 16946.65       617.3585 16674.35       607.5259 374.1041 6.820916 371.0893 6.766812 3.014801       9.608050 
1 1 1 -2  4  6  o 280.6069 3.771275 9526.614       255.9784 9662.774       366.4700 9396.889       357.7052 282.5636 5.360681 278.6502 5.305956 3.913422       7.542550 
1 1 1 -2  4  7  o 957.3387 14.48600 111067.5       3144.138 112647.2       5527.051 110311.6       3822.976 961.4514 23.76095 953.2260 16.57690 8.225403       28.97200 
1 1 1 -2  4  8  o 386.6117 4.968207 18091.38       464.6559 17928.68       651.4422 18259.89       662.9545 384.8436 6.996637 388.3798 7.055452 -3.536163      9.936415 
1 1 1 -2  4  9  o 388.0406 4.987185 18230.68       468.1848 18326.20       665.7330 18137.21       658.5521 389.0452 7.072903 387.0361 7.032931 2.009155       9.974371 
1 1 1 -2  4  10 o 248.5462 3.439904 7477.985       206.8439 7524.863       293.9114 7431.984       291.1511 249.3176 4.872605 247.7748 4.856899 1.542816       6.879807 
1 1 1 -2  4  11 o 277.8951 4.354223 9295.798       250.7858 9237.273       287.6460 9481.262       512.0552 276.2126 4.304400 279.5777 7.570281 -3.365112      8.708446 
1 1 1 -2  4  12 f 294.2060 4.505724 10768.01       287.1916 11131.28       340.9675 9881.023       532.7897 303.1403 4.649081 285.2717 7.719601 17.86859       9.011448 
1 1 1 -2  4  13 f 442.4796 6.483169 24163.19       613.3699 24550.96       719.2339 23129.09       1174.540 449.7550 6.609854 435.2041 11.15508 14.55093       12.96634 
1 1 1 -2  4  14 o 155.1534 2.985285 2914.499       95.38422 2912.511       109.2312 2920.880       195.7388 155.1073 2.910799 155.1995 5.212961 -0.9220886E-01 5.970570 
1 1 1 -2  4  15 o 200.0092 3.432754 4913.099       144.7141 4978.457       168.2111 4726.948       283.8822 202.7332 3.429475 197.2851 5.947597 5.448074       6.865508 
1 1 1 -2  4  16 o 161.8734 3.216747 3110.266       115.6373 3008.712       137.3465 3357.525       214.3126 157.5386 3.603533 166.2083 5.329577 -8.669693      6.433494 
1 1 1 -2  4  17 o 115.2317 3.160223 1610.339       88.10330 0.000000       0.000000 1610.339       88.10330 ?        ?        115.2317 3.160223 ?              ?        
1 1 1 -2  4  18 o 62.86665 2.979446 479.8527       45.31668 0.000000       0.000000 479.8527       45.31668 ?        ?        62.86665 2.979446 ?              ?        
1 1 1 -2  6  1  o 303.1590 4.030796 11120.76       295.5047 11353.97       425.8144 10904.10       410.4240 306.2207 5.747559 300.0974 5.652861 6.123352       8.061592 
1 1 1 -2  6  2  o 318.1765 4.199476 12227.05       322.6875 11768.20       440.5673 12758.09       473.9580 311.7581 5.841068 324.5950 6.035257 -12.83698      8.398952 
1 1 1 -2  6  3  o 474.5812 5.998148 27255.30       687.9258 28054.55       1001.837 26542.23       946.2861 481.1432 8.606377 468.0192 8.357117 13.12399       11.99630 
1 1 1 -2  6  4  o 72.93407 2.101738 642.1220       36.99796 707.8657       53.62052 582.3779       51.11538 76.48957 2.897520 69.37857 3.045257 7.111000       4.203476 
1 1 1 -2  6  5  o 761.4189 9.409676 70289.79       1732.578 69087.58       2405.984 71584.70       2497.022 754.6811 13.17731 768.1567 13.43601 -13.47559      18.81935 
1 1 1 -2  6  6  o 353.8094 4.597232 15148.65       393.4687 15310.02       562.0389 14993.54       551.0220 355.6561 6.531815 351.9628 6.470978 3.693359       9.194464 
1 1 1 -2  6  7  f 305.6322 4.064662 11293.00       300.3379 11607.45       434.9612 11006.45       415.2107 309.6929 5.805196 301.5715 5.690834 8.121368       8.129323 
1 1 1 -2  6  8  o 297.2144 3.967618 10686.39       285.2081 10885.18       409.7451 10499.55       397.2360 299.8936 5.647346 294.5353 5.574538 5.358215       7.935237 
1 1 1 -2  6  9  o 494.9323 6.238672 29656.59       746.4248 28955.33       1030.782 30429.73       1082.310 488.7984 8.716353 501.0661 8.928005 -12.26767      12.47734 
1 1 1 -2  6  10 o 406.9620 5.216280 20059.10       513.2171 19609.79       709.6443 20551.80       743.1087 402.1986 7.292860 411.7255 7.460060 -9.526855      10.43256 
1 1 1 -2  6  11 o 179.1678 2.763980 3885.638       119.7946 3838.661       167.7224 3934.561       171.1604 178.0631 3.893270 180.2725 3.924384 -2.209320      5.527960 
1 1 1 -2  6  12 o 191.6382 2.877872 4443.342       133.3528 4325.139       184.7624 4571.871       192.6644 188.9820 4.041018 194.2945 4.098629 -5.312454      5.755744 
1 1 1 -2  6  13 o 112.9381 2.762800 1577.757       63.66550 1607.296       72.97565 1483.641       130.2605 115.2367 2.617489 110.6396 4.866312 4.597115       5.525599 
1 1 1 -2  6  14 o 206.5469 3.524165 5274.772       154.2281 5389.058       180.1644 4961.333       298.3666 210.9398 3.530272 202.1539 6.100504 8.785828       7.048331 
1 1 1 -2  6  15 o 110.4469 2.787704 1490.873       61.85867 1500.875       70.23353 1456.276       130.6224 111.3401 2.607298 109.5537 4.928201 1.786392       5.575408 
1 1 1 -2  6  16 o 15.74891 4.747309 -0.1720606     21.39838 -3.772538      22.78755 26.68650       62.23849 10.81434 4.694055 20.68349 8.253098 -9.869159      9.494618 
1 1 1 -2  6  17 f 94.29334 2.796325 1092.902       58.16051 1111.350       69.57150 1050.089       105.9859 95.72168 3.004131 92.86501 4.717301 2.856674       5.592649 
1 1 1 -2  6  18 o 90.58868 2.803028 993.0660       55.13018 984.3512       64.83224 1015.824       104.7673 90.02018 2.976794 91.15717 4.750428 -1.136993      5.606056 
1 1 1 -2  6  19 o 44.24913 4.060055 220.1933       41.45743 163.3551       50.61099 336.1095       72.27647 36.35096 5.754752 52.14730 5.728788 -15.79634      8.120111 
1 1 1 -2  6  20 o 60.52351 3.228545 447.4305       47.27520 0.000000       0.000000 447.4305       47.27520 ?        ?        60.52351 3.228545 ?              ?        
1 1 1 -2  8  1  o 365.7953 6.716436 16201.06       594.4006 0.000000       0.000000 16201.06       594.4006 ?        ?        365.7953 6.716436 ?              ?        
1 1 1 -2  8  2  o 688.4950 8.539767 57461.81       1421.797 58575.45       2049.629 56428.89       1973.953 694.9033 12.19126 682.0867 11.96176 12.81659       17.07953 
1 1 1 -2  8  3  o 568.1763 7.098428 39115.93       975.7625 39217.66       1383.278 39015.18       1376.619 568.9106 10.04994 567.4421 10.02744 1.468506       14.19686 
1 1 1 -2  8  4  o 659.3299 8.187422 52649.35       1305.282 53716.45       1884.566 51665.45       1809.609 665.7335 11.70061 652.9263 11.45561 12.80725       16.37484 
1 1 1 -2  8  5  o 611.4232 7.611252 45279.09       1125.663 45834.52       1611.979 44750.46       1572.607 615.0760 10.83249 607.7704 10.69494 7.305603       15.22250 
1 1 1 -2  8  6  o 503.5321 6.335270 30704.18       771.7537 30852.19       1097.056 30559.18       1085.879 504.7318 8.983917 502.3324 8.934867 2.399414       12.67054 
1 1 1 -2  8  7  o 509.1251 6.403300 31384.29       788.4548 31902.45       1133.372 30898.35       1097.576 513.1899 9.128344 505.0602 8.982335 8.129700       12.80660 
1 1 1 -2  8  8  o 668.5498 8.301493 54230.00       1342.626 53827.92       1884.004 54644.92       1913.867 666.0405 11.69174 671.0590 11.78823 -5.018494      16.60299 
1 1 1 -2  8  9  o 182.5930 2.809971 4032.245       124.0724 3937.420       172.1959 4134.628       178.9274 180.3629 3.946147 184.8230 4.001459 -4.460114      5.619942 
1 1 1 -2  8  10 f 128.4848 2.398235 1994.560       74.48215 1906.374       102.7819 2092.082       108.0855 125.4996 3.385103 131.4700 3.398117 -5.970406      4.796470 
1 1 1 -2  8  11 o 231.0059 3.280850 6464.085       183.3594 6450.646       258.3971 6477.716       260.2314 230.7648 4.628239 231.2469 4.651376 -0.4821014     6.561699 
1 1 1 -2  8  12 o 429.8991 5.497061 22456.68       571.6858 22656.08       815.3734 22263.88       801.7698 431.7678 7.805558 428.0303 7.742351 3.737488       10.99412 
1 1 1 -2  8  13 o 242.4283 3.409867 7123.571       199.9882 7182.924       284.4462 7065.551       281.2332 243.4261 4.829817 241.4306 4.814731 1.995499       6.819734 
1 1 1 -2  8  14 o 248.8775 3.482407 7509.760       209.6331 7625.617       300.5622 7400.011       292.5328 250.7421 4.954555 247.0129 4.895000 3.729218       6.964814 
1 1 1 -2  8  15 o 78.14221 2.903115 687.2659       44.12668 654.1978       48.89717 832.3616       102.4251 73.49715 2.749862 82.78728 5.113762 -9.290138      5.806230 
1 1 1 -2  8  16 o 107.7559 2.897605 1474.475       62.87770 1531.483       72.09346 1293.278       128.5306 112.4271 2.650467 103.0847 5.153590 9.342422       5.795211 
1 1 1 -2  8  17 o 88.09779 2.835528 912.4604       48.73456 891.3491       54.35192 999.0482       110.0741 85.73272 2.620390 90.46286 5.029358 -4.730141      5.671057 
1 1 1 -2  8  18 o 115.8511 2.999854 1652.407       76.68593 1671.708       91.65913 1607.377       140.0019 117.2233 3.231912 114.4790 5.054823 2.744331       5.999708 
1 1 1 -2  8  19 o 62.80799 3.342001 487.2233       38.35419 488.3351       42.22169 481.9750       91.73403 63.35611 2.754513 62.25987 6.090037 1.096245       6.684003 
1 1 1 -2  8  20 o 49.70046 4.484751 285.3212       51.21372 232.1237       61.70559 403.0934       91.81216 43.01169 5.929740 56.38923 6.729794 -13.37754      8.969501 
1 1 1 -2  10 1  o 298.9724 4.011626 10815.56       290.1393 10931.09       414.0659 10704.12       406.6718 300.5402 5.694618 297.4046 5.651894 3.135590       8.023252 
1 1 1 -2  10 2  o 692.5214 8.581844 58106.34       1437.450 57325.64       2004.354 58933.09       2062.621 687.7435 12.04607 697.2993 12.22638 -9.555786      17.16369 
1 1 1 -2  10 3  o 454.1868 5.774640 24964.62       634.3185 25379.79       911.8386 24575.31       882.9809 457.8410 8.231917 450.5326 8.100704 7.308411       11.54928 
1 1 1 -2  10 4  o 186.9768 2.886352 4221.449       130.4145 4407.792       190.1753 4056.025       179.1830 190.8636 4.118402 183.0900 4.045106 7.773560       5.772705 
1 1 1 -2  10 5  o 544.5557 6.826422 35808.36       897.0764 37472.57       1326.933 34407.46       1217.442 556.1544 9.861690 532.9568 9.441781 23.19757       13.65284 
1 1 1 -2  10 6  o 103.4228 2.396742 1293.871       59.95575 1253.471       84.13833 1335.547       85.45752 101.7829 3.416778 105.0628 3.362012 -3.279869      4.793485 
1 1 1 -2  10 7  o 496.7139 6.266419 29841.73       751.8041 28867.05       1028.064 30962.11       1102.230 488.0316 8.707026 505.3963 9.014419 -17.36469      12.53284 
1 1 1 -2  10 8  o 621.4219 7.759751 46707.77       1162.247 44563.91       1564.216 49350.18       1736.597 605.6519 10.67508 637.1918 11.26488 -31.53998      15.51950 
1 1 1 -2  10 9  o 225.7085 3.239198 6159.137       176.6883 5965.995       243.0119 6375.751       257.3545 221.9635 4.525261 229.4535 4.635907 -7.490036      6.478397 
1 1 1 -2  10 10 o 413.5598 5.306302 20761.33       530.9130 20858.64       753.8334 20665.56       747.8511 414.5190 7.516726 412.6007 7.491743 1.918274       10.61260 
1 1 1 -2  10 11 o 167.1349 2.711538 3378.952       109.5780 3499.515       158.3269 3268.107       151.8116 169.9925 3.849663 164.2773 3.819665 5.715179       5.423075 
1 1 1 -2  10 12 o 250.3125 3.501623 7592.362       212.0065 7726.836       303.9423 7464.940       295.8658 252.4677 4.976029 248.1573 4.927940 4.310455       7.003246 
1 1 1 -2  10 13 o 122.6805 3.554845 1822.955       105.5112 1822.955       105.5112 0.000000       0.000000 122.6805 3.554845 ?        ?        ?              ?        
1 1 1 -2  10 14 o 100.6319 2.465052 1219.991       59.84365 1340.839       88.49651 1118.168       81.23271 105.1979 3.477095 96.06583 3.495100 9.132103       4.930103 
1 1 1 -2  10 15 o 227.7324 4.061105 6228.824       207.5132 6542.534       375.0574 6090.422       249.1177 231.5464 6.695106 223.9184 4.598462 7.628021       8.122210 
1 1 1 -2  10 16 o 141.3895 3.181218 2385.389       100.0375 2553.242       184.5065 2315.501       119.0560 144.6865 5.270858 138.0925 3.563516 6.593994       6.362436 
1 1 1 -2  10 17 o 28.71803 5.962024 101.8676       40.76544 99.68198       47.65625 107.8287       78.70415 27.85878 7.061323 29.57728 9.608363 -1.718500      11.92405 
1 1 1 -2  10 18 o 30.98934 5.581055 118.4929       34.82832 117.4834       38.25760 123.3789       84.16508 30.90541 5.116592 31.07327 9.920341 -0.1678600     11.16211 
1 1 1 -2  10 19 o 81.63480 3.487317 833.5219       60.85208 845.5934       71.38470 801.4277       116.3955 83.14475 3.548689 80.12486 6.004358 3.019897       6.974633 
1 1 1 -2  10 20 o 91.77255 3.316702 1036.757       63.86217 1026.883       73.73937 1066.389       127.7364 91.50919 3.330676 92.03592 5.736606 -0.5267258     6.633404 
1 1 1 -2  12 1  o 479.0466 7.530116 26931.22       789.2061 25829.27       925.7093 29863.18       1509.984 461.8391 8.284791 496.2540 12.57668 -34.41492      15.06023 
1 1 1 -2  12 2  o 293.2410 4.834530 10567.30       330.6960 11052.91       421.0919 9785.841       534.1755 302.1957 5.759521 284.2863 7.766508 17.90942       9.669060 
1 1 1 -2  12 3  o 437.2463 5.592175 23150.24       591.5356 23322.93       842.4069 22982.26       830.8287 438.8532 7.934149 435.6394 7.882827 3.213776       11.18435 
1 1 1 -2  12 4  o 118.0552 2.520859 1680.609       71.87516 1812.653       105.1015 1564.605       98.51186 122.3966 3.549257 113.7138 3.580741 8.682732       5.041719 
1 1 1 -2  12 5  o 344.3725 5.562839 14227.19       431.7039 14753.12       772.1082 13987.99       520.6997 348.8645 9.147852 339.8805 6.332261 8.983948       11.12568 
1 1 1 -2  12 6  o 345.7239 5.623730 14041.20       427.5011 15562.17       810.9051 13455.78       503.0919 358.1479 9.358479 333.2999 6.238927 24.84802       11.24746 
1 1 1 -2  12 7  o 210.2974 3.808327 5334.712       182.4021 5421.773       318.1154 5292.070       222.6352 211.5256 6.216121 209.0693 4.401505 2.456284       7.616653 
1 1 1 -2  12 8  o 131.2383 3.546273 2085.298       112.5677 2152.290       161.1207 2021.416       157.3363 133.2971 4.996070 129.1795 5.034231 4.117599       7.092545 
1 1 1 -2  12 9  o 57.21431 2.942178 395.8533       40.66932 367.3210       56.44785 426.6504       58.64526 55.07248 4.236532 59.35615 4.083804 -4.283669      5.884357 
1 1 1 -2  12 10 o 205.8961 3.076207 5127.690       153.0882 5308.631       222.5953 4965.297       210.8785 209.3344 4.395143 202.4579 4.305221 6.876511       6.152415 
1 1 1 -2  12 11 o 106.9205 2.473054 1382.224       63.92238 1441.993       92.63548 1327.895       88.31873 109.1232 3.508794 104.7178 3.486022 4.405449       4.946107 
1 1 1 -2  12 12 o 160.5986 2.742489 3115.091       106.3604 3280.196       156.3637 2972.916       145.0998 164.5438 3.927825 156.6533 3.828467 7.890503       5.484977 
1 1 1 -2  12 13 o 204.2749 3.796804 4809.388       169.5581 5668.055       328.8774 4498.514       197.8855 215.9266 6.295432 192.6233 4.246224 23.30334       7.593608 
1 1 1 -2  12 14 o 126.6264 3.102912 1927.645       89.79470 2003.569       156.3265 1890.259       109.6968 128.3992 5.032315 124.8537 3.631538 3.545586       6.205825 
1 1 1 -2  12 15 o 90.67072 2.610944 998.7798       57.19355 983.4634       82.76385 1012.779       79.12649 89.99522 3.801184 91.34621 3.580379 -1.350990      5.221889 
1 1 1 -2  12 16 o 139.5854 2.612061 2348.672       87.78225 2597.096       132.3133 2153.359       117.3203 146.1088 3.743045 133.0621 3.644319 13.04666       5.224122 
1 1 1 -2  12 17 o 33.45011 4.737453 151.8696       36.21699 102.5025       57.89635 183.6064       46.42102 28.21517 8.073020 38.68506 4.959856 -10.46989      9.474905 
1 1 1 -2  12 18 o 53.91960 3.188801 354.0171       41.31217 384.4928       63.05129 331.0915       54.68608 55.90547 4.661626 51.93373 4.352361 3.971741       6.377602 
1 1 1 -2  12 19 o 82.27071 3.364710 826.1982       55.55294 816.2651       62.83634 861.7490       118.8761 81.69963 3.178985 82.84179 5.931202 -1.142159      6.729421 
1 1 1 -2  12 20 o 39.17516 5.708543 192.1034       43.72350 181.5009       48.79124 235.3361       98.52451 37.94123 5.315303 40.40909 10.10433 -2.467854      11.41709 
1 1 1 -2  14 1  o 375.0808 4.883900 17040.73       443.1871 17113.44       628.9200 16969.01       624.6243 375.8748 6.915918 374.2867 6.897825 1.588135       9.767799 
1 1 1 -2  14 2  f 538.1171 6.770620 35054.11       880.0148 33950.54       1203.659 36321.41       1289.866 529.0632 9.403591 547.1709 9.743597 -18.10767      13.54124 
1 1 1 -2  14 3  o 151.3582 2.731467 2770.803       99.94378 2727.852       138.1685 2817.939       144.7444 150.1299 3.803993 152.5864 3.920879 -2.456528      5.462934 
1 1 1 -2  14 4  o 194.5089 3.023567 4579.682       142.2790 4641.489       202.1130 4518.963       200.3248 195.8101 4.266354 193.2076 4.285564 2.602432       6.047134 
1 1 1 -2  14 5  o 237.2034 3.403623 6810.329       195.2557 6696.001       271.6902 6932.454       280.8017 235.1476 4.775636 239.2593 4.850970 -4.111786      6.807247 
1 1 1 -2  14 6  o 156.2654 2.729145 2948.800       103.0473 2777.546       141.7756 3140.592       150.0367 151.4676 3.868828 161.0633 3.850337 -9.595657      5.458290 
1 1 1 -2  14 7  o 327.3126 4.343140 12986.09       343.8532 12814.63       480.2090 13166.52       492.5912 325.1005 6.105347 329.5247 6.178688 -4.424255      8.686279 
1 1 1 -2  14 8  o 71.18102 2.790415 614.1525       47.96966 603.1876       69.59010 624.0795       66.21440 70.57251 4.075769 71.78954 3.812317 -1.217026      5.580829 
1 1 1 -2  14 9  o 48.49501 3.512850 283.0956       41.01417 325.7414       60.60365 247.0584       55.71040 51.84419 4.831660 45.14584 5.100542 6.698353       7.025701 
1 1 1 -2  14 10 o 61.94207 3.133052 462.7231       46.83318 508.7435       68.85528 423.1037       63.88759 64.79537 4.392290 59.08876 4.468989 5.706608       6.266105 
1 1 1 -2  14 11 o 147.8331 3.758976 2647.539       134.4447 0.000000       0.000000 2647.539       134.4447 ?        ?        147.8331 3.758976 ?              ?        
1 1 1 -2  14 12 o 197.7925 3.064264 4740.938       146.5825 4854.373       210.7871 4634.713       203.9784 200.0799 4.354501 195.5052 4.312445 4.574646       6.128529 
1 1 1 -2  14 13 o 283.9727 5.517109 9809.276       379.0446 0.000000       0.000000 9809.276       379.0446 ?        ?        283.9727 5.517109 ?              ?        
1 1 1 -2  14 14 o 126.7899 2.612266 1941.740       79.92702 2098.652       118.2046 1809.568       108.4873 131.4829 3.715889 122.0968 3.672587 9.386116       5.224532 
1 1 1 -2  14 15 o 71.45090 2.896021 620.4761       49.92656 687.2213       72.16000 559.1834       69.14980 75.14449 3.969146 67.75732 4.218250 7.387161       5.792043 
1 1 1 -2  14 16 o 60.26210 3.142820 438.6147       45.46814 522.8006       68.31377 371.6606       60.92244 65.40839 4.316905 55.11581 4.568765 10.29258       6.285640 
1 1 1 -2  14 17 o 31.07929 5.519002 129.0604       40.77959 111.6824       67.20821 139.1863       51.30273 29.31981 8.783731 32.83878 6.684581 -3.518972      11.03800 
1 1 1 -2  14 18 o 55.88709 3.425429 375.9924       45.55462 447.4837       72.94653 330.2865       58.32632 60.07557 5.018853 51.69862 4.663192 8.376949       6.850858 
1 1 1 -2  14 19 o 73.70855 3.141502 681.2471       55.07337 633.8866       84.22254 716.6252       72.79269 71.24815 4.885989 76.16895 3.950095 -4.920792      6.283003 
1 1 1 -2  14 20 o 19.93538 6.463179 -30.64472      68.89517 -23.71208      87.27909 -42.10589      112.2213 19.11570 8.679771 20.75506 9.578743 -1.639364      12.92636 
1 1 1 -2  16 1  o 397.0884 5.141548 19123.22       493.8830 19326.64       705.5530 18927.79       691.5688 399.1534 7.306134 395.0236 7.236192 4.129791       10.28310 
1 1 1 -2  16 2  o 179.4489 2.940196 3890.239       127.5030 4100.300       185.6902 3702.848       175.3838 184.0215 4.170789 174.8764 4.145300 9.145111       5.880391 
1 1 1 -2  16 3  o 532.3066 6.717357 34426.26       864.5753 35169.22       1248.983 33742.72       1197.998 537.7881 9.599374 526.8253 9.399125 10.96283       13.43471 
1 1 1 -2  16 4  o 133.7108 3.719874 2164.568       120.3364 2164.568       120.3364 0.000000       0.000000 133.7108 3.719874 ?        ?        ?              ?        
1 1 1 -2  16 5  o 204.1073 3.130806 5043.727       154.5661 4929.278       215.8163 5164.252       221.4724 201.7316 4.421891 206.4830 4.433360 -4.751495      6.261613 
1 1 1 -2  16 6  o 315.5972 4.234258 12061.42       322.9618 11698.20       444.4402 12467.81       470.1143 310.5805 5.914757 320.6139 6.060645 -10.03345      8.468516 
1 1 1 -2  16 7  o 242.2624 3.477147 7095.827       203.4924 7424.511       298.0278 6808.753       278.5245 247.4996 4.977141 237.0252 4.856983 10.47438       6.954295 
1 1 1 -2  16 8  o 322.2234 4.304023 12599.94       335.5315 12599.64       474.9247 12600.23       474.1026 322.2187 6.092166 322.2280 6.081444 -0.9338379E-02 8.608046 
1 1 1 -2  16 9  f 214.9346 3.215579 5599.112       167.2057 5551.574       235.2181 5647.671       237.7311 214.0128 4.542852 215.8563 4.552175 -1.843460      6.431159 
1 1 1 -2  16 10 o 139.7882 2.744020 2366.800       92.74474 2394.742       133.8679 2341.008       128.6117 140.5779 3.936018 138.9985 3.824442 1.579407       5.488041 
1 1 1 -2  16 11 o 149.7270 2.781768 2717.075       100.7534 2774.219       143.8759 2662.086       141.1373 151.2716 3.931229 148.1824 3.936796 3.089203       5.563535 
1 1 1 -2  16 12 o 193.9964 3.068269 4539.995       143.5062 4936.017       214.1063 4216.965       193.3708 201.6200 4.389282 186.3727 4.288507 15.24727       6.136538 
1 1 1 -2  16 13 o 117.7815 2.705198 1666.569       76.66798 1897.077       115.5205 1485.114       102.4944 124.9820 3.820402 110.5809 3.831047 14.40108       5.410397 
1 1 1 -2  16 14 o 101.5323 2.780515 1248.072       67.97874 1320.035       102.2221 1191.014       91.02257 104.1224 4.057871 98.94220 3.802465 5.180176       5.561030 
1 1 1 -2  16 15 o 31.86027 5.626677 127.0311       45.11889 194.5536       67.46160 72.38397       60.68979 38.92059 7.435441 24.79995 8.447021 14.12064       11.25335 
1 1 1 -2  16 16 o 101.3559 2.786267 1239.328       67.85490 1433.239       103.1560 1091.433       90.08856 108.2491 3.938835 94.46261 3.941916 13.78650       5.572534 
1 1 1 -2  16 17 o 40.34483 5.035263 205.9312       47.26434 227.9920       75.20473 191.5289       60.76442 41.66552 7.745567 39.02413 6.435966 2.641388       10.07053 
1 1 1 -2  16 18 o 40.02129 5.145801 193.2098       47.30542 353.3257       77.83573 99.42672       59.56953 52.79767 6.093431 27.24491 8.293802 25.55276       10.29160 
1 1 1 -2  16 19 o 40.65480 5.498002 228.7917       50.96912 206.3101       82.39729 242.7257       64.86900 37.96396 9.091156 43.34565 6.185708 -5.381691      10.99600 
1 1 1 -2  16 20 o 57.13268 6.608225 473.8300       88.33105 398.2154       114.8715 583.2243       138.1678 51.20369 9.626128 63.06165 9.056059 -11.85796      13.21645 
1 1 1 -2  18 1  o 294.5355 4.022019 10518.99       286.6042 10510.84       405.7687 10527.10       404.8718 294.4205 5.696500 294.6504 5.679475 -0.2298279     8.044039 
1 1 1 -2  18 2  o 81.43730 3.076697 803.2092       60.61205 790.0444       84.94697 816.8632       86.51120 80.75776 4.347717 82.11685 4.354495 -1.359093      6.153395 
1 1 1 -2  18 3  o 266.7646 3.735114 8609.616       240.7411 8307.537       330.1794 8952.480       351.7635 261.7863 5.213156 271.7429 5.350451 -9.956635      7.470229 
1 1 1 -2  18 4  o 95.66579 2.839592 1109.453       65.62706 1180.768       92.94991 1038.563       92.67207 98.73765 3.891023 92.59393 4.136795 6.143715       5.679184 
1 1 1 -2  18 5  o 148.4135 2.838298 2667.574       101.8946 2640.241       142.4536 2696.209       145.8064 147.6365 3.988204 149.1905 4.039550 -1.554001      5.676596 
1 1 1 -2  18 6  o 311.3791 4.213203 11759.31       317.2423 11551.07       440.4308 11983.85       457.3439 308.5256 5.900436 314.2325 6.015744 -5.706970      8.426407 
1 1 1 -2  18 7  o 94.64014 2.925933 1084.553       66.96772 1044.048       93.41464 1127.379       96.05382 92.82268 4.159667 96.45760 4.116005 -3.634926      5.851865 
1 1 1 -2  18 8  o 91.13011 2.919180 1006.084       64.28982 1073.130       91.97393 942.0272       89.90059 94.10130 4.039865 88.15891 4.214966 5.942390       5.838359 
1 1 1 -2  18 9  o 187.9781 3.060538 4284.298       139.1708 4382.787       198.3585 4188.812       195.3112 190.1071 4.312711 185.8492 4.343743 4.257843       6.121077 
1 1 1 -2  18 10 o 21.00392 6.012227 22.99843       47.46215 19.86417       67.30994 26.09786       66.93488 20.77366 8.476384 21.23418 8.528681 -0.4605198     12.02445 
1 1 1 -2  18 11 f 59.06245 3.733089 425.8199       52.85085 415.8276       79.85734 433.6076       70.49915 58.41702 5.650321 59.70788 4.880338 -1.290863      7.466178 
1 1 1 -2  18 12 o 215.6112 4.573710 5660.732       238.5845 0.000000       0.000000 5660.732       238.5845 ?        ?        215.6112 4.573710 ?              ?        
1 1 1 -2  18 13 o 58.25177 3.925002 418.0662       54.63505 401.9949       83.15501 430.2736       72.47302 57.19498 6.009359 59.30856 5.050759 -2.113579      7.850004 
1 1 1 -2  18 14 o 73.08456 3.335032 640.2076       58.31843 765.3643       90.78036 552.2614       76.09805 79.02760 4.748001 67.14153 4.684681 11.88607       6.670063 
1 1 1 -2  18 15 o 136.3919 2.859547 2254.155       93.81876 2505.865       142.2751 2060.493       124.7961 143.0317 4.111443 129.7521 3.975433 13.27960       5.719093 
1 1 1 -2  18 16 o 83.63126 3.182054 862.8194       63.96268 862.7302       96.04951 862.8905       85.73969 83.53380 4.752593 83.72872 4.232580 -0.1949234     6.364108 
1 1 1 -2  18 17 o 74.53009 3.417204 674.8726       60.68481 864.4874       93.86464 538.6997       79.54469 83.38040 4.653029 65.67979 5.005842 17.70061       6.834408 
1 1 1 -2  18 18 o 39.48517 6.141389 217.6380       55.87823 227.9614       90.20228 211.2093       71.18111 39.72308 9.511713 39.24725 7.771354 0.4758263      12.28278 
1 1 1 -2  18 19 o 20.82988 6.282080 29.69691       54.94539 30.59293       86.97655 29.10186       70.87978 21.52937 9.257438 20.13038 8.494584 1.398989       12.56416 
1 1 1 -2  20 1  o 189.4338 3.072919 4347.847       140.8133 4299.860       197.0538 4397.922       201.2941 188.3676 4.323908 190.5000 4.367509 -2.132385      6.145838 
1 1 1 -2  20 2  o 251.6374 3.624167 7673.564       220.5354 7857.964       317.9456 7502.586       306.1566 254.5440 5.162829 248.7307 5.087588 5.813293       7.248335 
1 1 1 -2  20 3  o 226.7268 3.384653 6163.367       184.3966 5665.417       243.9890 6826.600       281.5854 216.1791 4.665028 237.2744 4.905202 -21.09529      6.769305 
1 1 1 -2  20 4  o 116.5866 2.884604 1647.632       81.26633 1752.360       115.5385 1545.089       114.3270 120.2597 3.971039 112.9135 4.185048 7.346184       5.769209 
1 1 1 -2  20 5  o 149.4686 2.887029 2701.779       104.2860 2575.484       143.5231 2843.041       151.7891 145.7771 4.069400 153.1602 4.096306 -7.383133      5.774057 
1 1 1 -2  20 6  o 276.4023 3.873654 9142.281       256.5746 10247.94       397.7200 8354.136       335.7925 290.4737 5.659372 262.3309 5.290774 28.14279       7.747308 
1 1 1 -2  20 7  o 263.9412 3.744697 8460.640       239.0932 8571.399       341.5892 8354.258       334.7717 265.6303 5.315256 262.2521 5.276275 3.378204       7.489394 
1 1 1 -2  20 8  o 288.8849 3.984839 10113.00       277.7193 10695.71       412.0725 9628.054       375.9210 296.4447 5.745497 281.3251 5.523136 15.11957       7.969678 
1 1 1 -2  20 9  o 145.7381 2.835986 2571.427       99.84906 2756.885       145.5481 2406.551       137.2342 150.6903 3.992261 140.7858 4.029036 9.904495       5.671973 
1 1 1 -2  20 10 o 32.91656 6.067886 138.7900       48.70531 138.4982       71.99461 139.0363       66.13703 32.89638 8.851514 32.93674 8.302270 -0.4035950E-01 12.13577 
1 1 1 -2  20 11 o 200.0431 3.192362 4859.984       154.0812 5142.760       228.4336 4623.937       208.7075 205.3302 4.598380 194.7559 4.429402 10.57423       6.384724 
1 1 1 -2  20 12 o 191.1443 3.145268 4433.895       144.7944 4783.178       217.7803 4157.172       193.8440 197.7996 4.550831 184.4889 4.342900 13.31075       6.290536 
1 1 1 -2  20 13 o 19.18478 5.812700 -14.28323      48.65730 38.59050       77.44827 -48.76151      62.54095 23.01693 9.198989 15.35263 7.108342 7.664298       11.62540 
1 1 1 -2  20 14 o 28.44125 6.299004 100.3546       53.32524 29.10933       79.52256 158.5664       71.88158 22.35795 9.178387 34.52454 8.629427 -12.16659      12.59801 
1 1 1 -2  20 15 o 69.69061 3.639251 602.5889       61.17472 619.7806       90.58990 588.1769       82.94321 70.54240 5.307955 68.83883 4.980180 1.703568       7.278502 
1 1 1 -2  20 16 o 34.68356 6.664832 168.2548       57.44981 184.4736       82.99177 153.3322       79.60651 36.27196 9.385427 33.09516 9.465394 3.176804       13.32966 
1 1 1 -2  20 17 o 50.09021 4.919075 331.0720       59.11940 322.1623       88.53212 338.2425       79.42265 49.18945 7.439206 50.99097 6.437967 -1.801517      9.838151 
1 1 1 -2  20 18 o 34.41338 6.824542 183.3391       61.65294 246.8197       88.57262 123.6720       85.87099 40.40462 9.259113 28.42215 10.02828 11.98248       13.64908 
1 1 1 -2  22 1  o 280.3470 3.918875 9540.026       265.6327 9306.595       367.7238 9794.760       384.1360 276.7751 5.491517 283.9188 5.592276 -7.143646      7.837749 
1 1 1 -2  22 2  o 104.4698 3.058879 1323.898       77.26610 1386.370       109.9192 1262.879       108.6337 106.9111 4.249605 102.0286 4.400887 4.882500       6.117757 
1 1 1 -2  22 3  o 197.4994 3.176826 4732.826       151.7825 4798.208       216.4253 4669.542       212.9234 198.8406 4.498840 196.1582 4.486571 2.682404       6.353652 
1 1 1 -2  22 4  o 100.4231 3.058463 1223.246       74.09472 1353.500       106.4733 1100.934       103.1760 105.6155 4.166878 95.23060 4.478160 10.38493       6.116927 
1 1 1 -2  22 5  o 238.2693 3.501843 6851.629       201.0184 7440.795       301.6921 6381.221       269.5769 247.3949 5.040468 229.1437 4.862643 18.25124       7.003685 
1 1 1 -2  22 6  o 304.9076 4.174720 11315.21       307.5900 11719.99       448.6220 10956.13       422.5443 310.0132 5.981336 299.8021 5.825528 10.21109       8.349440 
1 1 1 -2  22 7  o 29.77027 7.115233 80.51131       59.45760 169.6609       106.4390 40.07507       71.68470 36.65434 11.07046 22.88619 8.941533 13.76814       14.23047 
1 1 1 -2  22 8  o 189.9325 3.131327 4386.939       143.6884 4487.388       209.7384 4298.097       197.2484 191.9542 4.516249 187.9107 4.338701 4.043564       6.262654 
1 1 1 -2  22 9  o 175.1122 3.052653 3703.003       128.6080 4074.087       194.8748 3416.677       171.1788 182.7831 4.406739 167.4413 4.225568 15.34178       6.105307 
1 1 1 -2  22 10 o 125.7534 2.984265 1909.233       90.23363 2127.416       137.2359 1743.076       119.7610 131.9916 4.297533 119.5152 4.141808 12.47640       5.968531 
1 1 1 -2  22 11 o 55.59505 4.460695 385.5233       59.54342 431.7420       83.32079 337.2842       85.12233 59.12086 5.825193 52.06924 6.757093 7.051617       8.921390 
1 1 1 -2  22 12 o 24.33337 6.607110 56.31781       54.77546 41.10854       83.15646 67.97484       72.80074 23.66055 9.505106 25.00618 9.179791 -1.345627      13.21422 
1 1 1 -2  22 13 o 29.66318 6.676213 111.9500       56.81831 60.88944       81.10294 161.1653       79.62392 24.82253 9.562516 34.50383 9.319096 -9.681301      13.35243 
1 1 1 -2  22 14 o 40.86637 5.897625 211.1115       57.34108 333.4728       90.69060 129.6164       74.01265 50.89145 7.365719 30.84129 9.212715 20.05017       11.79525 
1 1 1 -2  22 15 o 77.47255 3.757119 754.3359       70.19249 789.6439       104.3719 725.1795       94.84493 79.03404 5.458421 75.91105 5.164245 3.122993       7.514239 
1 1 1 -2  22 16 o 25.85393 7.003954 81.77280       61.80549 55.67948       84.25626 112.1688       90.93800 23.48509 9.520792 28.22278 10.27502 -4.737692      14.00791 
1 1 1 -2  22 17 o 19.62218 6.222606 -38.64429      66.61603 -141.0281      92.99026 69.28980       95.47754 15.08896 7.407134 24.15539 10.00088 -9.066431      12.44521 
1 1 1 -2  24 1  o 210.3016 3.291457 5380.518       167.4491 5446.905       239.0450 5316.559       234.6340 211.5710 4.670048 209.0322 4.639547 2.538803       6.582913 
1 1 1 -2  24 2  o 185.0495 3.110677 4163.331       139.2327 4242.787       199.5973 4088.022       194.3182 186.7644 4.417314 183.3347 4.380933 3.429688       6.221353 
1 1 1 -2  24 3  o 20.23367 6.013116 -12.68045      54.17408 -79.93535      78.16695 49.48230       75.14954 16.45234 7.725508 24.01500 9.216659 -7.562656      12.02623 
1 1 1 -2  24 4  o 120.5309 2.917337 1754.970       84.77301 1942.717       126.1398 1600.326       114.4807 126.3684 4.125831 114.6933 4.125646 11.67510       5.834675 
1 1 1 -2  24 5  o 41.59030 5.656928 222.4901       54.93219 188.5202       82.56249 249.4723       73.58238 38.15328 9.076323 45.02733 6.754533 -6.874050      11.31386 
1 1 1 -2  24 6  f 91.27704 3.132982 1013.016       69.06172 1097.968       100.8308 937.9465       94.78538 94.87628 4.392715 87.67780 4.468373 7.198486       6.265965 
1 1 1 -2  24 7  o 96.24132 3.294968 1126.916       76.24948 1181.600       115.4379 1084.592       101.5570 98.25797 4.855995 94.22466 4.454950 4.033302       6.589937 
1 1 1 -2  24 8  o 52.13066 5.136882 337.0001       61.07542 471.1526       92.70833 234.1316       81.18212 61.72770 6.207780 42.53363 8.186190 19.19407       10.27376 
1 1 1 -2  24 9  o 44.82990 5.632839 255.9921       59.24184 312.4264       86.92988 207.0543       80.95055 49.96870 7.190659 39.69110 8.672366 10.27761       11.26568 
1 1 1 -2  24 10 o 88.45226 3.346086 965.4087       71.40697 895.9124       101.9055 1032.449       100.0884 85.24826 4.940942 91.65624 4.513564 -6.407982      6.692173 
1 1 1 -2  24 11 o 27.83222 7.118459 91.74986       61.61263 87.52664       88.14623 95.78440       86.15474 27.52685 10.10167 28.13760 10.03225 -0.6107464     14.23692 
1 1 1 -2  24 12 o 111.3029 3.216242 1537.468       86.30719 1680.886       122.0114 1393.836       122.1023 116.6338 4.323880 105.9720 4.762447 10.66174       6.432483 
1 1 1 -2  24 13 o 75.74495 3.858760 707.9885       69.94073 836.8007       109.0330 617.9272       91.16920 81.43256 5.534234 70.05734 5.378883 11.37521       7.717521 
1 1 1 -2  24 14 o 79.93555 3.806751 819.8751       72.58743 964.9162       102.3023 672.8216       103.0096 87.50126 4.832467 72.36985 5.883254 15.13141       7.613502 
1 1 1 -2  24 15 o 53.86928 5.583410 407.1845       70.17426 465.6454       98.66231 347.3307       99.83080 58.78995 6.936587 48.94861 8.751092 9.841339       11.16682 
1 1 1 -2  24 16 o 35.01131 7.684989 216.4220       72.18016 231.7349       101.0812 200.4897       103.1052 36.50795 10.73194 33.51468 11.00280 2.993271       15.36998 
1 1 1 -2  26 1  o 158.4964 3.023411 3044.473       115.4870 3371.569       172.5108 2778.831       155.4628 166.1461 4.291646 150.8467 4.259792 15.29936       6.046822 
1 1 1 -2  26 2  o 82.38943 3.543293 834.5977       70.29639 804.6599       103.4444 860.2855       95.82095 80.95162 5.281764 83.82723 4.724687 -2.875610      7.086586 
1 1 1 -2  26 3  o 95.43819 3.238221 1103.773       74.36745 1227.390       112.4957 1007.816       99.11362 100.1214 4.644157 90.75500 4.513989 9.366386       6.476441 
1 1 1 -2  26 4  o 133.2050 3.003931 2147.354       96.27916 2396.436       145.6781 1954.180       128.2917 139.9750 4.301713 126.4351 4.194002 13.53989       6.007861 
1 1 1 -2  26 5  o 27.71311 6.843799 90.55208       57.06784 67.35075       86.41684 108.4951       75.99593 26.12080 9.917072 29.30541 9.434087 -3.184605      13.68760 
1 1 1 -2  26 6  o 46.58493 5.584840 273.9064       61.24923 319.3032       92.86734 238.9569       81.48376 50.35078 7.623501 42.81907 8.163578 7.531715       11.16968 
1 1 1 -2  26 7  o 187.9790 3.241822 4282.456       146.0743 4814.038       226.1224 3901.745       191.3620 197.7478 4.726391 178.2103 4.438339 19.53751       6.483643 
1 1 1 -2  26 8  o 116.6088 3.276290 1671.650       92.15258 1740.425       136.7108 1614.377       124.7551 118.7393 4.758894 114.4783 4.504356 4.261063       6.552580 
1 1 1 -2  26 9  o 76.77394 3.968502 742.1595       73.09010 659.8367       105.9273 816.9724       100.9801 72.48447 6.040329 81.06342 5.148831 -8.578949      7.937004 
1 1 1 -2  26 10 o 39.71626 6.745573 219.2106       63.96623 218.0975       88.52791 220.4265       92.52846 39.68814 9.369928 39.74438 9.706465 -0.5624008E-01 13.49115 
1 1 1 -2  26 11 o 88.79379 3.816191 1004.236       80.80939 1175.099       113.2653 827.0976       115.3261 96.92646 4.830055 80.66112 5.909639 16.26534       7.632383 
1 1 1 -2  26 12 o 41.52782 6.865592 256.0320       68.65643 195.0391       100.3139 309.7791       94.16701 35.93779 10.72325 47.11785 8.576556 -11.18006      13.73118 
1 1 1 -2  26 13 o 58.92329 4.857797 464.7729       69.21925 457.2474       96.17501 472.8605       99.70183 58.48940 6.796460 59.35718 6.942687 -0.8677750     9.715594 
1 1 1 -2  26 14 o 58.47898 5.482319 489.5336       76.98115 525.3095       106.2115 449.9407       111.7339 61.40349 7.149508 55.55448 8.313111 5.849010       10.96464 
1 1 1 -2  28 1  o 72.46187 4.061008 650.3491       70.90529 683.8585       106.0829 623.2899       95.32761 74.07946 5.918958 70.84428 5.561752 3.235184       8.122016 
1 1 1 -2  28 2  o 67.91699 4.216506 579.2377       68.69099 538.6838       101.6528 613.3174       93.18594 65.55445 6.409363 70.27953 5.480488 -4.725075      8.433011 
1 1 1 -2  28 3  o 23.69202 6.798767 38.91587       60.58277 53.67877       90.97366 27.15195       81.20932 25.09204 9.988774 22.29200 9.225904 2.800039       13.59753 
1 1 1 -2  28 4  o 104.7392 3.303065 1355.865       83.46055 1347.865       122.5213 1362.791       114.0008 104.3644 4.852402 105.1139 4.482760 -0.7494736     6.606129 
1 1 1 -2  28 5  f 50.65437 5.539595 324.6790       65.50660 409.0549       102.4083 266.2468       85.22212 56.50555 7.491035 44.80320 8.162895 11.70234       11.07919 
1 1 1 -2  28 6  o 82.47163 4.756368 916.4431       88.32486 1072.630       113.4986 676.6211       140.6415 92.80722 5.054830 72.13603 8.058588 20.67119       9.512736 
1 1 1 -2  28 7  o 59.68815 4.709370 456.6936       67.56551 516.3942       95.94627 397.9641       95.16268 63.77496 6.218356 55.60134 7.074228 8.173618       9.418739 
1 1 1 -2  28 8  o 55.44143 5.659297 409.0953       73.12214 495.0977       106.1295 331.3750       100.8900 61.75623 7.103184 49.12664 8.812228 12.62959       11.31859 
1 1 1 -2  28 9  o 19.53809 6.314898 -35.64518      66.97717 -17.50021      91.58086 -56.51033      98.20583 20.05206 9.017812 19.02413 8.842556 1.027937       12.62980 
1 1 1 -2  28 10 o 19.93439 6.335882 -13.33509      64.25713 6.832486       88.67387 -35.63552      93.24497 20.74928 9.127194 19.11951 8.790217 1.629768       12.67176 
1 1 1 -2  28 11 o 49.21082 9.058214 419.3966       108.2206 473.4087       164.8216 378.4652       143.4819 51.65802 13.15303 46.76363 12.45804 4.894382       18.11643 
1 1 1 -2  28 12 o 33.27992 9.097242 222.5288       103.9734 238.0726       151.1464 208.5663       143.2520 34.03054 13.06851 32.52931 12.65912 1.501225       18.19448 
1 1 1 -1  1  5  o 221.2251 3.619875 5826.477       164.7663 5740.845       187.9590 6110.648       342.4032 217.8113 3.566814 224.6389 6.300145 -6.827606      7.239750 
1 1 1 -1  1  6  o 573.2794 8.796928 39747.42       1144.619 39511.14       1393.280 40237.95       2007.511 570.9561 10.08634 575.6027 14.41560 -4.646667      17.59386 
1 1 1 -1  1  7  o 480.0866 7.003500 27881.18       702.7172 27843.62       810.2173 27995.24       1411.782 479.5998 6.982648 480.5734 12.14243 -0.9736023     14.00700 
1 1 1 -1  1  8  o 292.4200 4.526149 10211.09       272.4456 10088.81       311.0588 10613.92       564.5891 288.7526 4.452606 296.0874 7.881523 -7.334869      9.052299 
1 1 1 -1  1  9  o 422.9145 6.245762 21528.85       548.4547 21402.11       629.6497 21927.42       1116.563 420.4892 6.189304 425.3398 10.85038 -4.850616      12.49152 
1 1 1 -1  1  10 o 572.9751 8.251432 40186.03       1003.804 40555.89       1170.121 39155.27       1953.393 578.4963 8.360414 567.4539 14.22842 11.04242       16.50286 
1 1 1 -1  1  11 o 362.6165 5.753367 16048.71       480.1432 16272.95       595.8708 15633.55       810.7657 366.4147 6.721666 358.8184 9.339387 7.596313       11.50673 
1 1 1 -1  1  12 o 132.7790 2.312726 2125.816       74.14999 1990.861       101.2083 2282.198       108.9466 128.2476 3.261855 137.3105 3.279499 -9.062958      4.625453 
1 1 1 -1  1  13 f 40.75967 2.789459 216.0726       22.95091 356.9947       33.57826 92.51164       31.44194 54.31141 2.555435 27.20793 4.959241 27.10348       5.578918 
1 1 1 -1  1  14 o 423.1564 5.444223 21735.37       556.6190 22448.96       812.8823 21105.40       763.7677 429.6506 7.820058 416.6623 7.576607 12.98831       10.88845 
1 1 1 -1  1  15 o 115.6711 2.223256 1619.188       62.19763 1576.295       86.64823 1664.782       89.33473 114.0920 3.139078 117.2502 3.149230 -3.158195      4.446511 
1 1 1 -1  1  16 o 99.29948 2.986385 1194.417       71.74557 0.000000       0.000000 1194.417       71.74557 ?        ?        99.29948 2.986385 ?              ?        
1 1 1 -1  3  1  o 502.9692 7.763044 30661.93       887.7284 30910.17       1549.982 30540.76       1082.938 504.1397 12.70789 501.7988 8.920138 2.340912       15.52609 
1 1 1 -1  3  3  o 318.2705 4.184908 12264.18       322.1885 12418.24       460.8618 12116.91       450.5982 320.2232 5.948611 316.3178 5.887942 3.905396       8.369817 
1 1 1 -1  3  4  o 242.2495 3.349926 7103.248       196.3317 7139.173       278.8083 7067.910       276.5158 242.8568 4.745184 241.6422 4.729823 1.214645       6.699851 
1 1 1 -1  3  5  o 189.7018 2.810453 4353.207       128.9603 4432.788       184.7468 4277.582       180.0968 191.3918 3.989802 188.0118 3.959302 3.379944       5.620907 
1 1 1 -1  3  6  o 600.2001 7.474893 43632.49       1084.876 44485.31       1564.699 42842.97       1505.506 605.8332 10.67519 594.5670 10.46597 11.26617       14.94979 
1 1 1 -1  3  7  o 552.6385 6.909548 36976.31       923.5341 37554.44       1326.527 36432.51       1286.539 556.8234 9.846830 548.4536 9.695739 8.369873       13.81910 
1 1 1 -1  3  8  o 189.0885 2.813046 4325.963       128.6857 4306.954       181.1261 4345.339       182.8646 188.6691 3.968057 189.5078 3.988414 -0.8386841     5.626092 
1 1 1 -1  3  9  o 316.6715 4.818796 12178.91       320.6278 12217.82       371.0721 12064.25       636.9344 317.7386 4.827096 315.6044 8.341602 2.134247       9.637592 
1 1 1 -1  3  10 o 476.1330 6.933149 27681.88       698.0645 27876.93       811.4814 27126.71       1369.027 479.7077 6.991970 472.5584 11.97441 7.149292       13.86630 
1 1 1 -1  3  11 o 387.0421 5.720029 18439.68       473.6583 18752.16       555.6104 17608.57       906.1312 393.4108 5.837431 380.6735 9.838664 12.73737       11.44006 
1 1 1 -1  3  12 o 262.2326 4.118398 8514.961       232.0187 8737.687       273.4804 7942.892       438.2938 268.6131 4.208202 255.8521 7.080667 12.76106       8.236795 
1 1 1 -1  3  13 o 62.33851 2.561935 431.8174       30.81262 408.8981       34.01640 536.5854       72.72794 58.12672 2.418857 66.55031 4.516988 -8.423592      5.123870 
1 1 1 -1  3  14 o 57.91049 2.832814 403.2781       31.05742 401.4868       34.44506 411.0648       71.81487 57.59462 2.471968 58.22637 5.097913 -0.6317482     5.665628 
1 1 1 -1  3  15 o 78.50107 2.630320 751.7255       40.90978 755.5842       46.18035 737.6562       88.18022 79.00696 2.415959 77.99518 4.673058 1.011780       5.260639 
1 1 1 -1  3  16 o 277.4365 3.788008 9347.868       254.1572 9124.025       353.3601 9587.786       365.8291 274.0044 5.330375 280.8687 5.383597 -6.864349      7.576015 
1 1 1 -1  3  17 o 190.1503 4.042829 4391.694       185.9879 0.000000       0.000000 4391.694       185.9879 ?        ?        190.1503 4.042829 ?              ?        
1 1 1 -1  3  18 o 37.62083 3.438246 172.0379       31.29446 0.000000       0.000000 172.0379       31.29446 ?        ?        37.62083 3.438246 ?              ?        
1 1 1 -1  5  1  o 522.0854 6.553180 33046.86       827.4643 33578.59       1188.979 32547.44       1152.306 526.1453 9.340410 518.0256 9.194204 8.119751       13.10636 
1 1 1 -1  5  2  o 484.4603 6.110769 28385.86       714.8702 29530.03       1050.841 27400.21       975.3345 493.5055 8.801218 475.4152 8.479656 18.09027       12.22154 
1 1 1 -1  5  3  o 258.6339 3.539025 8063.814       220.8315 8535.537       327.5442 7670.704       299.0086 265.5363 5.098514 251.7314 4.909575 13.80490       7.078049 
1 1 1 -1  5  4  o 307.4196 4.072428 11434.61       302.7640 11226.39       420.8297 11658.03       435.9146 304.5221 5.711962 310.3171 5.806219 -5.794983      8.144856 
1 1 1 -1  5  5  f 419.4471 5.346688 21276.74       542.0258 21899.13       788.3560 20718.77       746.4406 425.2509 7.662578 413.6432 7.458766 11.60764       10.69338 
1 1 1 -1  5  7  o 1016.166 15.33676 125622.9       3551.434 125877.5       6162.007 125496.3       4345.817 1015.882 25.07128 1016.450 17.67190 -0.5673828     30.67353 
1 1 1 -1  5  8  o 186.1991 2.807309 4195.009       126.4648 4202.110       178.9737 4187.927       178.7231 186.3565 3.969560 186.0417 3.970708 0.3147736      5.614618 
1 1 1 -1  5  9  o 703.0038 8.713274 59960.59       1481.706 59313.45       2071.823 60638.12       2119.903 699.1351 12.24868 706.8724 12.39575 -7.737244      17.42655 
1 1 1 -1  5  10 o 428.7715 5.462153 22285.19       566.5732 22117.40       795.1102 22458.26       807.5458 427.1358 7.694121 430.4072 7.755062 -3.271454      10.92431 
1 1 1 -1  5  11 o 223.3265 3.177576 6039.584       171.6871 6038.550       242.5533 6040.623       243.0519 223.3075 4.489536 223.3454 4.498003 -0.3787231E-01 6.355152 
1 1 1 -1  5  12 o 229.8426 3.748904 6572.091       185.1025 6785.832       218.5546 6029.744       348.1403 236.7314 3.815941 222.9537 6.454123 13.77774       7.497808 
1 1 1 -1  5  13 o 75.56688 2.771917 678.5347       40.10402 670.4294       44.55288 713.1470       92.06784 74.42774 2.474222 76.70601 4.961081 -2.278267      5.543834 
1 1 1 -1  5  14 o 178.0540 3.221481 3947.760       121.6123 4068.711       142.4604 3622.843       233.4947 183.3072 3.212272 172.8008 5.585075 10.50635       6.442962 
1 1 1 -1  5  15 o 88.82175 2.755924 956.1041       47.91267 956.1057       53.77979 956.0976       105.4903 88.86961 2.501287 88.77389 4.911623 0.9572601E-01  5.511849 
1 1 1 -1  5  16 o 114.5269 2.772037 1608.655       63.68569 1622.782       72.30689 1559.786       134.4869 115.7519 2.581959 113.3020 4.906142 2.449844       5.544073 
1 1 1 -1  5  17 o 62.54341 3.074881 487.9612       40.20387 500.8402       46.71202 451.1600       78.96195 64.26306 3.004450 60.82375 5.365898 3.439308       6.149762 
1 1 1 -1  5  18 o 80.24481 3.124234 778.9101       60.15864 735.2766       79.29812 838.0726       92.33707 77.65119 4.220972 82.83844 4.607251 -5.187248      6.248469 
1 1 1 -1  5  19 o 54.68929 3.377358 364.4741       44.68705 0.000000       0.000000 364.4741       44.68705 ?        ?        54.68929 3.377358 ?              ?        
1 1 1 -1  5  20 o 81.89841 2.984930 817.9584       59.14417 0.000000       0.000000 817.9584       59.14417 ?        ?        81.89841 2.984930 ?              ?        
1 1 1 -1  7  1  o 36.83626 2.723729 165.0762       23.92446 201.0940       34.32475 131.0459       33.36428 40.76604 3.480219 32.90648 4.190810 7.859558       5.447459 
1 1 1 -1  7  2  o 819.2997 12.49932 80967.27       2300.185 83973.83       4136.632 79621.57       2767.482 829.1506 20.62107 809.4487 14.13166 19.70197       24.99865 
1 1 1 -1  7  3  o 464.9556 5.884426 26188.08       661.9389 26183.51       936.2077 26192.64       936.0383 464.9150 8.323316 464.9963 8.320354 -0.8129883E-01 11.76885 
1 1 1 -1  7  4  o 661.9197 8.215558 53109.37       1315.446 53688.24       1881.005 52555.27       1840.305 665.4408 11.68364 658.3987 11.55310 7.042114       16.43112 
1 1 1 -1  7  5  o 249.5520 3.459251 7527.055       208.6930 7754.448       302.5053 7320.544       288.2811 253.1434 4.939287 245.9606 4.844493 7.182785       6.918502 
1 1 1 -1  7  6  o 66.61990 2.294247 536.6639       36.94860 543.9536       53.48293 530.0081       51.10459 67.05231 3.296849 66.18749 3.191403 0.8648148      4.588493 
1 1 1 -1  7  7  o 199.8781 2.968858 4830.892       143.5146 4954.712       206.4188 4715.036       199.6699 202.3554 4.216306 197.4009 4.180818 4.954544       5.937716 
1 1 1 -1  7  8  o 461.9769 5.848952 25843.99       653.6130 25536.57       913.7917 26166.05       935.2795 459.1678 8.225712 464.7861 8.317369 -5.618317      11.69790 
1 1 1 -1  7  9  o 123.1470 3.385620 1835.155       100.8706 0.000000       0.000000 1835.155       100.8706 ?        ?        123.1470 3.385620 ?              ?        
1 1 1 -1  7  10 o 182.0837 2.791416 4013.538       122.9695 4022.504       173.9298 4004.576       173.8804 182.2872 3.943806 181.8802 3.951507 0.4069366      5.582832 
1 1 1 -1  7  11 o 313.9273 4.161312 11941.99       315.9717 11775.53       440.7993 12117.92       453.1600 311.6823 5.845565 316.1724 5.924139 -4.490112      8.322623 
1 1 1 -1  7  12 o 226.2250 3.233205 6199.302       176.9385 6136.969       247.8735 6264.062       252.6526 225.0672 4.552139 227.3827 4.592657 -2.315521      6.466411 
1 1 1 -1  7  13 o 174.7094 2.746531 3695.414       116.0629 3775.115       166.4309 3619.959       161.9368 176.5416 3.896588 172.8771 3.871736 3.664551       5.493062 
1 1 1 -1  7  14 o 266.9972 4.248580 8670.335       237.1891 8685.132       273.7850 8625.818       474.8848 267.7035 4.227205 266.2909 7.371056 1.412628       8.497160 
1 1 1 -1  7  15 o 145.0982 3.012188 2606.561       90.15627 2657.525       103.8736 2450.922       181.5231 148.1318 2.898375 142.0645 5.281339 6.067291       6.024376 
1 1 1 -1  7  16 o 160.6624 3.119044 3243.440       105.3153 3363.345       123.0431 2914.932       203.6631 166.5791 3.053054 154.7457 5.439909 11.83339       6.238088 
1 1 1 -1  7  17 o 78.06068 3.119886 750.4226       52.95247 761.6843       62.70492 722.4271       98.86536 79.20787 3.272133 76.91350 5.312994 2.294373       6.239773 
1 1 1 -1  7  18 o 77.86127 2.884276 737.2946       43.63086 735.6973       48.84150 743.6050       97.08026 77.85054 2.593135 77.87200 5.152848 -0.2146149E-01 5.768552 
1 1 1 -1  7  19 o 75.60118 3.369296 746.8416       52.82594 796.6133       61.92384 613.8013       101.2415 80.85913 3.165385 70.34322 5.948862 10.51591       6.738592 
1 1 1 -1  7  20 o 77.27098 3.516977 694.9733       63.28753 581.9155       77.66050 918.5009       109.1982 68.59946 4.679260 85.94250 5.251765 -17.34304      7.033954 
1 1 1 -1  9  1  o 300.4808 4.021412 10921.56       292.2299 10721.41       406.3649 11135.92       420.5512 297.6326 5.643304 303.3290 5.730633 -5.696472      8.042825 
1 1 1 -1  9  2  o 478.0110 6.040477 27670.18       698.5667 27745.36       990.3592 27595.73       985.5035 478.6566 8.551974 477.3653 8.533065 1.291321       12.08095 
1 1 1 -1  9  3  o 842.8378 10.39429 86169.42       2119.219 85348.16       2966.358 87025.55       3028.670 838.7505 14.61802 846.9251 14.78103 -8.174622      20.78858 
1 1 1 -1  9  4  o 428.4369 5.472029 22201.88       566.7914 22727.55       820.5750 21722.24       783.8160 433.2786 7.827963 423.5952 7.648228 9.683380       10.94406 
1 1 1 -1  9  6  o 475.0762 6.008099 27308.22       690.0718 26708.94       954.4555 27964.59       998.8771 469.6262 8.400422 480.5262 8.591969 -10.90002      12.01620 
1 1 1 -1  9  7  o 153.4636 2.592202 2849.026       96.23328 2905.148       137.2422 2794.742       134.9749 154.9501 3.660948 151.9772 3.670899 2.972961       5.184404 
1 1 1 -1  9  8  o 488.8353 6.169600 28973.17       729.6608 29014.98       1033.115 28931.55       1030.682 489.1867 8.729146 488.4839 8.721114 0.7027893      12.33920 
1 1 1 -1  9  9  o 270.7909 3.694844 8865.073       241.7571 8579.825       331.8699 9187.600       352.8900 266.1625 5.153694 275.4193 5.295935 -9.256775      7.389688 
1 1 1 -1  9  10 o 169.2513 2.702976 3468.175       110.6791 3471.748       156.0139 3464.555       157.0389 169.3396 3.808047 169.1630 3.837068 0.1765900      5.405951 
1 1 1 -1  9  11 o 132.1754 2.465604 2114.701       78.83615 2158.123       112.3708 2072.614       110.6318 133.5116 3.478824 130.8393 3.494938 2.672256       4.931208 
1 1 1 -1  9  12 o 376.2533 4.884655 17189.33       444.6089 17350.30       633.9267 17033.50       623.7408 377.9815 6.932121 374.5250 6.883686 3.456543       9.769311 
1 1 1 -1  9  13 o 111.0929 2.414433 1493.837       64.87669 1536.994       92.94821 1452.837       90.59601 112.6569 3.410209 109.5289 3.418834 3.127968       4.828867 
1 1 1 -1  9  14 o 348.3399 4.579561 14747.70       385.8639 14970.79       552.7942 14535.72       538.8605 350.8986 6.511476 345.7812 6.441288 5.117462       9.159122 
1 1 1 -1  9  15 o 77.95555 2.480510 736.5704       46.77347 758.1376       66.67161 715.6681       65.63592 79.08010 3.484748 76.83100 3.531041 2.249100       4.961020 
1 1 1 -1  9  16 o 71.04648 3.232325 644.9758       43.91926 666.4616       49.37011 563.4741       96.15477 74.15078 2.751985 67.94217 5.849640 6.208611       6.464651 
1 1 1 -1  9  17 o 10.34807 3.658995 -69.42837      26.79436 -47.25193      28.77560 -214.0393      73.48165 8.941531 4.328619 11.75460 5.900512 -2.813071      7.317991 
1 1 1 -1  9  18 o 130.6348 3.031630 2197.901       82.06929 2317.215       95.76453 1867.936       159.2551 138.0617 2.867010 123.2078 5.342600 14.85387       6.063260 
1 1 1 -1  9  19 o 70.79282 3.341788 568.1812       44.14478 542.1789       48.34830 698.5128       108.2430 66.69926 2.996110 74.88638 5.974404 -8.187119      6.683575 
1 1 1 -1  9  20 o 52.86019 4.789902 406.0117       39.82177 427.5552       43.52034 295.1815       98.71057 59.13237 3.042038 46.58801 9.083978 12.54436       9.579804 
1 1 1 -1  11 1  o 307.7335 4.119934 11460.79       306.7348 11429.82       432.6206 11492.09       434.9659 307.3157 5.818621 308.1513 5.834302 -0.8355713     8.239868 
1 1 1 -1  11 2  o 287.0312 3.903910 9959.611       270.8836 10229.14       392.7351 9715.034       374.1173 290.7298 5.583517 283.3326 5.457691 7.397247       7.807820 
1 1 1 -1  11 3  f 589.1694 7.365757 42043.20       1049.671 41461.01       1464.911 42657.52       1504.810 584.9849 10.35057 593.3540 10.48252 -8.369080      14.73151 
1 1 1 -1  11 4  o 517.9333 6.513564 32417.85       814.6744 33686.18       1196.948 31323.19       1111.985 527.3365 9.381776 508.5302 9.038160 18.80637       13.02713 
1 1 1 -1  11 5  o 325.2124 4.305161 12768.66       338.0977 13339.46       497.0096 12276.99       461.2726 331.9560 6.188451 318.4689 5.986711 13.48712       8.610322 
1 1 1 -1  11 6  o 627.5527 7.826135 47680.44       1186.144 49422.98       1740.431 46169.10       1620.865 638.2018 11.27188 616.9036 10.85994 21.29822       15.65227 
1 1 1 -1  11 7  o 74.86179 3.239553 677.0707       55.14941 682.4509       96.28444 674.4437       67.27901 75.07335 5.301125 74.65022 3.725171 0.4231262      6.479106 
1 1 1 -1  11 8  o 595.6108 10.53460 43137.75       1518.039 43137.75       1518.039 0.000000       0.000000 595.6108 10.53460 ?        ?        ?              ?        
1 1 1 -1  11 9  o 119.4962 2.452524 1728.766       70.87601 1736.403       98.97740 1720.728       101.5393 119.7684 3.415793 119.2241 3.520206 0.5443115      4.905048 
1 1 1 -1  11 10 o 60.15303 2.687149 438.3033       39.09297 428.1733       55.55125 448.2421       55.02414 59.46325 3.861383 60.84281 3.738021 -1.379562      5.374298 
1 1 1 -1  11 11 o 152.7000 2.623043 2817.283       96.78664 2960.595       141.1731 2690.180       132.9506 156.3547 3.731974 149.0452 3.686975 7.309555       5.246085 
1 1 1 -1  11 12 o 129.7386 2.514466 2036.118       78.87682 2129.099       113.7510 1950.004       109.4695 132.5885 3.546065 126.8887 3.565890 5.699821       5.028931 
1 1 1 -1  11 13 o 198.6017 3.020031 4776.167       145.0190 4918.745       209.6787 4645.428       200.7858 201.4370 4.302419 195.7664 4.239285 5.670639       6.040062 
1 1 1 -1  11 14 o 219.3907 3.209155 5822.208       169.9993 6141.784       250.2610 5548.401       231.6472 224.9530 4.598318 213.8285 4.477743 11.12450       6.418311 
1 1 1 -1  11 15 o 164.2557 2.722957 3255.732       107.8754 3533.128       160.3564 3026.417       145.7982 170.6044 3.885026 157.9069 3.816353 12.69745       5.445914 
1 1 1 -1  11 16 o 68.34805 2.663643 566.0446       43.95641 597.9720       64.73769 538.7341       59.87427 70.12571 3.815730 66.57040 3.717549 3.555305       5.327285 
1 1 1 -1  11 17 o 23.71135 5.038813 69.80538       30.20954 71.43442       51.59473 68.95555       37.26532 24.16021 7.772873 23.26249 6.414125 0.8977261      10.07763 
1 1 1 -1  11 18 o 83.55994 3.141007 835.0759       53.03764 817.8915       60.00080 896.4902       113.4292 81.95687 3.026003 85.16302 5.505180 -3.206146      6.282014 
1 1 1 -1  11 19 o 27.76335 6.123307 65.48545       38.18871 41.10574       42.06512 179.7739       91.07709 19.37539 6.998306 36.15131 10.05004 -16.77592      12.24661 
1 1 1 -1  11 20 o 69.64622 3.889667 603.3299       50.37267 598.8096       55.65841 623.7953       118.4286 69.83379 3.294298 69.45865 7.047385 0.3751450      7.779334 
1 1 1 -1  13 1  o 332.3869 4.404890 13358.64       353.9204 13016.71       488.3617 13736.87       513.6319 327.9153 6.155702 336.8586 6.302344 -8.943237      8.809779 
1 1 1 -1  13 2  o 500.8831 6.319963 30387.38       765.6827 29988.06       1068.781 30808.42       1097.467 497.5087 8.879441 504.2574 8.995737 -6.748749      12.63993 
1 1 1 -1  13 3  o 498.6224 6.297843 30061.27       758.3694 29048.16       1035.660 31232.54       1113.566 489.6017 8.743229 507.6432 9.066820 -18.04150      12.59569 
1 1 1 -1  13 4  o 345.6741 4.552651 14464.83       380.6189 14725.63       546.8862 14219.84       530.0610 348.6917 6.482656 342.6565 6.393880 6.035187       9.105303 
1 1 1 -1  13 5  o 178.3632 2.872865 3850.327       123.9568 3827.437       173.7486 3874.055       176.8967 177.8240 4.038578 178.9025 4.086967 -1.078430      5.745730 
1 1 1 -1  13 6  o 151.4824 2.669200 2776.823       97.80685 2707.157       137.1066 2849.010       139.5658 149.5479 3.789444 153.4168 3.760137 -3.868866      5.338400 
1 1 1 -1  13 7  o 339.9508 4.472970 14001.63       367.7300 14280.03       529.5181 13742.29       511.0700 343.2070 6.377088 336.6947 6.273962 6.512299       8.945940 
1 1 1 -1  13 8  o 110.1764 4.809906 1470.553       128.2116 1470.553       128.2116 0.000000       0.000000 110.1764 4.809906 ?        ?        ?              ?        
1 1 1 -1  13 9  o 155.0638 2.675899 2911.580       100.3857 2896.714       141.3622 2926.702       142.5793 154.6648 3.777803 155.4628 3.790771 -0.7979889     5.351798 
1 1 1 -1  13 10 o 158.2510 3.827658 3033.102       146.5487 0.000000       0.000000 3033.102       146.5487 ?        ?        158.2510 3.827658 ?              ?        
1 1 1 -1  13 11 o 277.7510 3.814614 9352.553       256.2304 9537.940       368.8332 9179.623       356.2246 280.4038 5.436806 275.0982 5.352219 5.305603       7.629227 
1 1 1 -1  13 12 o 110.2848 2.611635 1470.658       69.52580 1514.664       102.4060 1433.030       94.69478 111.8080 3.785735 108.7617 3.598718 3.046310       5.223271 
1 1 1 -1  13 13 o 91.09695 2.635920 1006.247       57.99910 1082.652       82.65616 932.1381       81.40438 94.51012 3.614886 87.68380 3.837303 6.826317       5.271840 
1 1 1 -1  13 14 o 184.8032 4.185584 4147.133       187.1405 4147.133       187.1405 0.000000       0.000000 184.8032 4.185584 ?        ?        ?              ?        
1 1 1 -1  13 15 o 33.11867 4.852356 134.8011       38.48530 197.5066       57.91871 85.22744       51.49815 40.17395 5.958981 26.06339 7.659765 14.11057       9.704713 
1 1 1 -1  13 16 o 103.0572 2.573480 1287.169       64.01882 1401.271       94.16914 1189.120       87.29383 107.2865 3.627949 98.82788 3.650915 8.458633       5.146960 
1 1 1 -1  13 17 o 32.89626 4.917403 131.4955       38.95130 205.2485       60.69720 79.85673       50.78864 40.68487 6.166425 25.10766 7.661502 15.57721       9.834806 
1 1 1 -1  13 18 o 43.71542 4.412873 258.8272       42.03711 178.5484       65.60291 314.7528       54.75553 36.87350 7.606213 50.55734 4.476530 -13.68384      8.825746 
1 1 1 -1  13 19 o 62.34495 4.521473 457.6983       63.76065 398.7993       75.79774 600.2380       117.9153 56.35537 5.559281 68.33453 7.132268 -11.97917      9.042946 
1 1 1 -1  13 20 o 20.69779 5.978518 37.34723       41.84439 45.14323       46.66700 5.368233       94.51623 19.91780 7.343978 21.47777 9.435927 -1.559967      11.95704 
1 1 1 -1  15 1  o 259.4854 3.644366 8147.954       228.6677 7982.063       317.1591 8327.541       329.9925 256.7393 5.106019 262.2314 5.201363 -5.492004      7.288732 
1 1 1 -1  15 2  o 201.6759 3.101318 4912.308       151.0781 4724.435       206.6205 5128.145       221.4646 197.5446 4.323204 205.8071 4.447763 -8.262436      6.202636 
1 1 1 -1  15 3  o 220.3886 3.257006 5879.504       173.6178 5804.989       242.2024 5958.262       249.0041 218.9543 4.572172 221.8229 4.639784 -2.868561      6.514012 
1 1 1 -1  15 4  o 275.7742 3.803122 9188.508       253.2732 8825.569       345.5945 9609.602       372.2543 269.9138 5.292239 281.6346 5.463254 -11.72083      7.606244 
1 1 1 -1  15 5  o 135.3876 3.744663 2219.094       122.6574 0.000000       0.000000 2219.094       122.6574 ?        ?        135.3876 3.744663 ?              ?        
1 1 1 -1  15 6  o 272.7051 3.772877 9011.729       248.9122 8939.943       349.8596 9085.310       354.2107 271.6066 5.324162 273.8037 5.347120 -2.197174      7.545753 
1 1 1 -1  15 7  o 401.2610 5.189983 19551.74       503.8419 19509.08       711.6760 19594.60       713.4072 400.8224 7.338850 401.6996 7.340639 -0.8771667     10.37997 
1 1 1 -1  15 8  o 75.99010 2.778247 698.3956       50.99999 754.8948       73.51702 645.9822       70.80894 78.95039 3.848853 73.02980 4.007612 5.920586       5.556494 
1 1 1 -1  15 9  o 162.3168 2.766986 3191.309       108.6580 3159.392       153.3342 3223.503       153.9993 161.5010 3.924293 163.1326 3.901895 -1.631638      5.533973 
1 1 1 -1  15 10 o 191.8729 3.011783 4461.306       139.8077 4487.989       198.4716 4435.025       196.9729 192.4421 4.262811 191.3037 4.255795 1.138321       6.023566 
1 1 1 -1  15 11 o 244.5157 3.507789 7245.643       207.3523 7452.854       300.4985 7057.310       286.4840 247.8416 5.011478 241.1897 4.909524 6.651932       7.015578 
1 1 1 -1  15 12 o 126.0930 2.634981 1923.487       80.29664 2039.097       116.6297 1819.307       110.7143 129.6880 3.717126 122.4980 3.735703 7.190002       5.269962 
1 1 1 -1  15 13 o 166.4672 2.853685 3345.325       114.5853 3625.626       170.2247 3113.081       154.9468 172.8017 4.071667 160.1327 3.999449 12.66899       5.707369 
1 1 1 -1  15 14 o 183.6356 2.965374 4094.976       131.5696 4247.968       192.2148 3960.102       180.4748 186.8420 4.252164 180.4292 4.134352 6.412796       5.930748 
1 1 1 -1  15 15 o 110.6019 2.651578 1487.038       70.83777 1611.525       102.3332 1372.505       98.15672 115.0528 3.676352 106.1510 3.822027 8.901825       5.303155 
1 1 1 -1  15 16 o 100.7863 2.674729 1235.839       64.92108 1281.477       97.26724 1199.174       87.18288 102.4238 3.925215 99.14882 3.634472 3.274986       5.349458 
1 1 1 -1  15 17 o 98.57893 2.758300 1156.778       64.75723 1396.643       103.2667 1001.323       83.13412 106.7287 3.999232 90.42913 3.799870 16.29961       5.516599 
1 1 1 -1  15 18 o 89.09942 2.894380 961.1517       61.61808 1091.277       96.86432 872.7042       79.85921 94.00337 4.259102 84.19547 3.920433 9.807907       5.788760 
1 1 1 -1  15 19 o 50.68274 4.126498 323.8000       49.54294 345.1236       79.43859 310.2267       63.37903 51.80165 6.338487 49.56382 5.285408 2.237831       8.252996 
1 1 1 -1  15 20 o 37.87196 7.883112 215.7449       78.16889 142.8911       99.58907 332.6591       126.1594 30.44133 10.79329 45.30259 11.49255 -14.86126      15.76622 
1 1 1 -1  17 1  o 331.6335 4.413582 13336.71       354.1208 13312.36       500.6452 13361.09       500.9600 331.3301 6.245495 331.9369 6.237997 -0.6068420     8.827164 
1 1 1 -1  17 2  o 78.43433 2.982449 744.7652       56.55003 738.3497       78.26942 751.7716       81.79464 78.08266 4.143194 78.78600 4.291148 -0.7033463     5.964898 
1 1 1 -1  17 3  o 397.9564 5.153630 19224.54       496.1593 19083.88       696.7477 19369.25       706.7088 396.4845 7.263518 399.4282 7.313066 -2.943695      10.30726 
1 1 1 -1  17 4  o 63.30487 3.394766 489.2862       51.58429 543.7673       71.65275 430.6688       74.32291 66.99897 4.420408 59.61077 5.153421 7.388195       6.789533 
1 1 1 -1  17 5  o 362.5058 4.763922 15944.36       417.6753 15698.33       581.7306 16206.13       600.0600 359.6302 6.685955 365.3814 6.788064 -5.751221      9.527843 
1 1 1 -1  17 6  o 77.57031 3.107047 729.7834       58.24326 708.2870       83.59353 750.0642       81.19563 76.45551 4.519200 78.68512 4.265183 -2.229614      6.214094 
1 1 1 -1  17 7  o 231.8596 3.385898 6508.464       189.7959 6319.930       262.3723 6715.415       274.8887 228.3453 4.749236 235.3739 4.827212 -7.028564      6.771795 
1 1 1 -1  17 8  o 119.8396 2.713159 1739.702       78.62063 1818.594       111.8675 1662.704       110.5175 122.5269 3.773726 117.1523 3.899221 5.374619       5.426319 
1 1 1 -1  17 9  o 79.83179 3.062184 771.5224       59.09319 748.6115       81.53366 796.8747       85.76780 78.58659 4.288310 81.07700 4.372445 -2.490410      6.124367 
1 1 1 -1  17 10 o 142.4743 2.762687 2460.699       95.22749 2459.150       135.0652 2462.230       134.2822 142.4287 3.919616 142.5198 3.894403 -0.9109497E-01 5.525375 
1 1 1 -1  17 11 o 176.5595 2.941102 3780.344       125.5817 3882.495       180.7768 3685.071       174.5837 178.8604 4.177593 174.2585 4.141020 4.601898       5.882205 
1 1 1 -1  17 12 o 123.0049 2.734215 1836.572       81.32328 1923.239       116.0095 1752.833       114.0330 125.8641 3.809687 120.1458 3.923012 5.718292       5.468431 
1 1 1 -1  17 13 o 39.00815 5.357776 199.2428       48.60146 139.4883       72.09377 249.0225       65.80202 32.93597 8.855688 45.08032 6.033229 -12.14435      10.71555 
1 1 1 -1  17 14 o 40.00719 5.230928 212.7483       46.78614 167.5791       76.63299 239.5892       59.07346 35.84266 8.882274 44.17172 5.527717 -8.329060      10.46186 
1 1 1 -1  17 15 o 141.5052 2.785984 2420.718       94.86667 2726.200       143.2525 2182.100       126.6075 149.3639 3.964188 133.6465 3.915614 15.71744       5.571967 
1 1 1 -1  17 16 o 28.27080 6.101826 93.28712       47.31001 157.6595       74.28297 49.35639       61.36541 34.33693 8.876719 22.20467 8.374543 12.13226       12.20365 
1 1 1 -1  17 17 o 84.56136 3.036731 868.9449       61.52426 986.4237       95.48584 785.5505       80.45029 89.31928 4.418669 79.80343 4.166811 9.515854       6.073462 
1 1 1 -1  17 18 f 36.48153 6.226683 182.2242       53.66562 211.1669       84.35886 162.5483       69.55484 38.73461 9.147862 34.22844 8.450027 4.506172       12.45337 
1 1 1 -1  17 19 o 58.59200 4.218167 424.0214       58.05216 599.6301       94.05673 315.9601       73.78229 68.06594 5.711600 49.11806 6.208814 18.94788       8.436335 
1 1 1 -1  17 20 o 29.75789 8.234612 159.1729       85.47845 166.4485       105.3470 145.1517       146.2438 30.66734 11.07528 28.84844 12.18908 1.818897       16.46922 
1 1 1 -1  19 1  f 165.3682 2.932057 3312.448       117.3014 3268.089       164.9990 3357.776       166.7940 164.2486 4.152192 166.4878 4.140910 -2.239151      5.864114 
1 1 1 -1  19 2  o 459.0265 5.882967 25622.46       653.0417 25181.80       907.3030 26096.13       940.6821 454.9581 8.242873 463.0948 8.395967 -8.136688      11.76593 
1 1 1 -1  19 3  o 284.4948 3.935813 9807.453       270.7231 10073.50       391.6217 9563.946       374.6618 288.1795 5.616959 280.8101 5.514731 7.369446       7.871626 
1 1 1 -1  19 4  o 70.03185 3.377857 592.4393       56.96229 516.0775       78.25906 678.4778       83.06968 65.24368 4.957856 74.82003 4.589045 -9.576355      6.755713 
1 1 1 -1  19 5  o 232.7839 3.423478 6534.178       192.1459 6157.235       258.9548 6995.953       286.6166 225.3645 4.749372 240.2034 4.931964 -14.83893      6.846956 
1 1 1 -1  19 6  o 153.8091 2.871314 2865.343       106.8085 2976.852       152.7209 2758.585       149.4328 156.7390 4.027348 150.8792 4.093683 5.859756       5.742628 
1 1 1 -1  19 7  o 159.0166 2.886331 3062.747       111.0030 2984.405       154.4959 3146.343       159.5920 156.9170 4.069535 161.1162 4.094206 -4.199158      5.772663 
1 1 1 -1  19 8  o 128.6806 2.827240 2008.695       87.96767 2072.104       123.8029 1944.038       125.0161 130.7388 3.914029 126.6224 4.080873 4.116386       5.654480 
1 1 1 -1  19 9  o 32.87516 6.082859 137.1506       49.16046 155.8999       69.86787 118.7665       69.18395 34.98888 8.366668 30.76144 8.831963 4.227440       12.16572 
1 1 1 -1  19 10 o 57.09167 3.928820 397.1051       54.21513 420.0855       77.15227 374.6884       76.20013 58.73251 5.429600 55.45084 5.679960 3.281662       7.857640 
1 1 1 -1  19 11 o 138.5926 2.813760 2333.416       94.15843 2355.983       137.8806 2313.694       128.8935 139.2006 4.094112 137.9845 3.860986 1.216095       5.627519 
1 1 1 -1  19 12 o 23.66035 6.115853 42.34645       47.67846 101.9838       74.74210 1.427725       61.91092 28.85789 9.362842 18.46280 7.870948 10.39509       12.23171 
1 1 1 -1  19 13 o 80.69969 3.185004 778.0865       61.23960 903.5994       97.51763 696.3576       78.69134 85.91076 4.691733 75.48863 4.308669 10.42213       6.370007 
1 1 1 -1  19 14 o 31.38271 6.082366 126.3052       48.45557 168.9176       71.72951 90.53642       65.71755 35.82480 8.418393 26.94062 8.781309 8.884182       12.16473 
1 1 1 -1  19 15 o 26.00191 6.448384 79.79787       50.68648 99.42945       72.08496 60.59972       71.28476 27.93241 9.201387 24.07140 9.036654 3.861012       12.89677 
1 1 1 -1  19 16 o 23.33322 6.226237 49.25149       52.70846 -18.95809      81.61086 98.06427       69.03861 19.27571 8.601878 27.39073 9.003989 -8.115017      12.45247 
1 1 1 -1  19 17 o 65.81967 3.930552 546.2457       62.41713 603.0589       91.91685 497.6300       85.02747 69.00768 5.505483 62.63166 5.611294 6.376026       7.861104 
1 1 1 -1  19 18 o 51.47616 5.143905 355.3908       60.91603 467.1204       90.84773 264.1200       82.10999 59.65678 6.294366 43.29554 8.137568 16.36124       10.28781 
1 1 1 -1  19 19 o 38.25110 8.323739 265.6392       80.07537 260.7697       91.79384 281.1422       163.7865 40.52528 9.523520 35.97692 13.65434 4.548355       16.64748 
1 1 1 -1  21 2  o 353.7220 4.698403 15119.79       400.3552 16174.56       600.9649 14278.16       536.8243 364.7018 6.810970 342.7423 6.473843 21.95947       9.396806 
1 1 1 -1  21 3  o 192.5225 3.134070 4493.106       145.9614 4574.696       208.3551 4414.479       204.5390 194.2382 4.433710 190.8068 4.430779 3.431366       6.268140 
1 1 1 -1  21 4  o 178.4182 3.039827 3855.488       131.1390 4027.170       189.0770 3696.346       182.0402 182.2422 4.288323 174.5943 4.309581 7.647858       6.079655 
1 1 1 -1  21 5  o 167.1010 2.965683 3386.196       119.8927 3353.065       168.8308 3419.901       170.2864 166.2763 4.196807 167.9258 4.191409 -1.649551      5.931365 
1 1 1 -1  21 6  o 158.5188 2.937062 3045.872       112.5888 2944.495       156.4752 3154.701       162.1241 155.7866 4.151578 161.2510 4.155686 -5.464462      5.874124 
1 1 1 -1  21 7  o 240.5488 4.340723 7137.386       241.3765 7354.119       302.5493 6757.883       400.3521 245.9191 5.085125 235.1785 7.036263 10.74059       8.681445 
1 1 1 -1  21 8  o 77.32532 3.468249 730.1459       64.63695 669.9644       92.57513 787.3914       90.28865 74.18128 5.158195 80.46936 4.637675 -6.288078      6.936498 
1 1 1 -1  21 9  o 90.32572 3.177421 978.4235       68.80136 1185.208       104.0951 818.0146       91.68227 98.69131 4.359626 81.96014 4.623601 16.73117       6.354843 
1 1 1 -1  21 10 o 51.54806 4.446568 318.1406       54.73404 390.6594       85.72250 268.2265       71.11829 56.37991 6.284462 46.71620 6.292329 9.663712       8.893136 
1 1 1 -1  21 11 o 125.7050 2.906889 1907.511       87.92226 2144.529       132.9202 1723.135       117.2337 132.5646 4.144393 118.8454 4.077255 13.71924       5.813777 
1 1 1 -1  21 12 o 53.97526 4.395585 356.3041       56.34694 385.5262       89.99010 337.4589       72.26691 55.67149 6.681279 52.27903 5.713597 3.392460       8.791170 
1 1 1 -1  21 13 o 22.54700 6.107212 24.15675       50.23517 99.24677       77.80525 -29.52328      65.78459 28.27176 9.564552 16.82226 7.596807 11.44950       12.21442 
1 1 1 -1  21 14 o 62.93015 4.075377 484.2058       61.02909 626.8938       93.48173 378.2189       80.56738 70.94429 5.446368 54.91602 6.063982 16.02827       8.150755 
1 1 1 -1  21 15 o 101.6416 3.279032 1278.477       80.43017 1362.532       119.0415 1207.877       109.0986 104.6645 4.701070 98.61863 4.572544 6.045914       6.558065 
1 1 1 -1  21 16 o 31.29025 6.971959 137.2051       58.76688 168.8850       89.92087 113.5862       77.64236 33.98326 10.15542 28.59724 9.555123 5.386021       13.94392 
1 1 1 -1  21 17 o 66.05984 4.468646 573.0772       71.15475 645.0153       104.3639 510.5908       97.26661 70.05418 6.157633 62.06550 6.477556 7.988678       8.937291 
1 1 1 -1  21 18 o 27.93650 7.138492 124.3033       68.21537 44.88701       100.5579 192.0046       92.84525 22.43230 9.796969 33.44070 10.38516 -11.00839      14.27698 
1 1 1 -1  23 1  o 149.6929 2.950688 2718.581       106.8177 2832.513       152.8103 2609.715       149.3743 152.7630 4.134586 146.6228 4.210871 6.140198       5.901376 
1 1 1 -1  23 2  o 96.57269 3.093970 1127.964       72.14006 1047.625       98.49973 1220.917       105.9501 92.87806 4.383486 100.2673 4.367568 -7.389252      6.187940 
1 1 1 -1  23 3  o 96.93179 3.095040 1140.478       72.50840 1069.844       101.1712 1215.076       103.9708 93.84084 4.456182 100.0228 4.296454 -6.181915      6.190079 
1 1 1 -1  23 4  o 61.89577 3.867549 468.1026       57.25606 560.5676       82.29356 381.3464       79.71270 67.87304 5.011483 55.91849 5.892096 11.95455       7.735099 
1 1 1 -1  23 5  o 146.3487 2.881796 2597.119       101.9258 2721.708       148.3868 2485.823       140.2472 149.6613 4.098107 143.0360 4.052718 6.625305       5.763593 
1 1 1 -1  23 6  o 193.9661 3.179598 4536.629       148.4253 5019.316       224.3822 4161.113       197.9112 203.0326 4.567940 184.8996 4.424172 18.13298       6.359196 
1 1 1 -1  23 7  o 161.6386 2.979760 3161.589       116.0571 3402.998       173.9445 2967.896       155.8082 167.1421 4.301525 156.1351 4.124653 11.00700       5.959520 
1 1 1 -1  23 8  o 137.9814 2.926784 2305.746       97.34595 2504.083       145.4694 2144.901       131.0005 143.3049 4.195737 132.6578 4.081671 10.64714       5.853567 
1 1 1 -1  23 9  o 27.19237 6.644573 83.13544       54.03771 115.1866       79.08946 55.07255       74.00536 30.23020 9.612907 24.15454 9.175695 6.075666       13.28915 
1 1 1 -1  23 10 o 64.25436 4.074306 508.2763       62.98872 526.7780       94.83266 493.6699       84.26057 65.23846 6.008304 63.27026 5.504558 1.968197       8.148612 
1 1 1 -1  23 11 o 47.15312 5.704878 287.0283       63.29770 253.3416       89.32727 321.0019       89.70688 43.82974 8.730577 50.47651 7.345716 -6.646770      11.40976 
1 1 1 -1  23 12 o 64.14625 4.121115 513.3288       63.86896 551.1471       91.58749 477.5271       89.11208 66.49003 5.693475 61.80246 5.959756 4.687565       8.242229 
1 1 1 -1  23 13 o 89.70964 3.467423 999.2924       75.11581 1026.265       110.2031 975.8872       102.6574 90.78078 5.017618 88.63849 4.787025 2.142296       6.934847 
1 1 1 -1  23 14 o 35.95953 6.553755 172.6146       59.69334 270.4159       92.22657 102.1040       78.30888 44.18053 8.935274 27.73852 9.589978 16.44201       13.10751 
1 1 1 -1  23 15 o 26.06046 6.857528 84.89274       60.14503 122.7896       82.42621 41.73758       87.95894 29.22459 9.844688 22.89633 9.549076 6.328264       13.71506 
1 1 1 -1  23 16 o 18.71449 6.118901 -34.82613      65.73156 -9.726966      89.94068 -63.60123      96.30193 19.52960 8.845271 17.89939 8.457245 1.630211       12.23780 
1 1 1 -1  25 1  o 63.43222 4.137920 493.8609       63.40362 477.7007       91.26582 508.9359       88.14796 62.39994 6.045353 64.46449 5.651834 -2.064552      8.275840 
1 1 1 -1  25 2  o 114.7787 2.981196 1592.853       82.41418 1817.120       122.2667 1406.113       111.5690 122.1417 4.137540 107.4158 4.293120 14.72586       5.962392 
1 1 1 -1  25 3  o 33.82272 6.566465 147.6705       55.39235 159.7381       80.10796 136.6143       76.67780 35.07077 9.292413 32.57468 9.280351 2.496082       13.13293 
1 1 1 -1  25 4  o 89.68876 3.229350 977.4814       69.84602 1043.833       104.0301 923.0222       94.24728 92.42973 4.652057 86.94779 4.480309 5.481934       6.458700 
1 1 1 -1  25 5  o 81.30378 3.407797 803.4695       66.79557 895.1344       99.18236 727.3879       90.35932 85.52299 4.793461 77.08456 4.845106 8.438431       6.815594 
1 1 1 -1  25 6  o 177.2870 3.080086 3817.438       131.5623 4122.550       197.3755 3573.490       176.4865 183.5807 4.443895 170.9933 4.266089 12.58737       6.160172 
1 1 1 -1  25 7  o 107.1516 3.207317 1393.251       82.57590 1522.967       126.0739 1295.794       109.2786 111.4331 4.676368 102.8701 4.390798 8.562958       6.414634 
1 1 1 -1  25 8  o 25.22156 6.985495 52.49971       63.21043 20.55508       90.76769 82.57988       88.07901 23.04095 9.661807 27.40217 10.09148 -4.361219      13.97099 
1 1 1 -1  25 9  o 46.68275 5.770216 283.7726       63.10091 236.6613       88.97758 331.4398       89.50105 42.12829 9.002914 51.23722 7.220050 -9.108929      11.54043 
1 1 1 -1  25 10 o 41.53207 6.517707 233.6396       63.78418 230.6350       90.66100 236.5845       89.75473 41.22261 9.310352 41.84153 9.123561 -0.6189270     13.03541 
1 1 1 -1  25 11 o 50.31312 5.717775 334.0411       67.38001 388.1410       96.53504 282.6456       94.09139 54.95495 7.260656 45.67128 8.834857 9.283669       11.43555 
1 1 1 -1  25 12 o 82.70577 3.870068 859.5690       76.70808 710.7284       105.1171 1029.117       112.1913 74.86372 5.803630 90.54782 5.121286 -15.68410      7.740135 
1 1 1 -1  25 13 o 32.89020 6.692460 149.5743       63.34915 252.1955       90.99667 53.06535       88.24514 41.97231 9.213684 23.80809 9.708969 18.16422       13.38492 
1 1 1 -1  25 14 o 26.44106 7.263804 93.68174       66.85746 109.4510       94.89747 78.14086       94.20776 27.61690 10.41459 25.26522 10.12856 2.351681       14.52761 
1 1 1 -1  25 15 o 23.73794 7.115514 64.34599       70.87869 84.24097       103.5465 46.80531       97.22695 24.96932 10.38268 22.50655 9.732526 2.462772       14.23103 
1 1 1 -1  27 1  o 28.16150 7.046124 89.79278       60.40058 118.3288       89.24989 65.67913       82.04309 30.71550 10.24427 25.60751 9.677111 5.107983       14.09225 
1 1 1 -1  27 2  o 24.04343 6.722815 39.53649       60.78455 -14.13770      91.18462 82.46263       81.54546 21.07326 9.262935 27.01361 9.745922 -5.940348      13.44563 
1 1 1 -1  27 3  o 57.91853 4.664551 410.1495       64.55942 512.2332       98.75730 333.9688       85.31274 64.14861 6.363260 51.68844 6.822101 12.46016       9.329103 
1 1 1 -1  27 4  o 124.9892 3.063292 1909.070       92.43970 2045.939       136.1052 1791.874       125.9442 129.1208 4.356885 120.8575 4.307271 8.263298       6.126584 
1 1 1 -1  27 5  o 18.91967 6.029696 -50.97450      58.57615 12.60104       91.48386 -95.14875      76.25776 22.51225 9.581860 15.32709 7.322356 7.185157       12.05939 
1 1 1 -1  27 6  f 29.10544 6.397179 61.27990       60.68135 224.5562       96.50917 -45.47480      78.03698 40.56990 9.916105 17.64098 8.084952 22.92892       12.79436 
1 1 1 -1  27 7  o 28.20001 7.103197 94.66533       64.71866 31.43101       101.1073 138.5582       84.23699 24.36262 10.20569 32.03741 9.882588 -7.674789      14.20639 
1 1 1 -1  27 8  o 44.40532 8.453240 251.8726       98.53549 477.8108       161.9138 118.9768       124.1780 57.51661 12.02268 31.29403 11.88631 26.22259       16.90648 
1 1 1 -1  27 9  o 33.66061 7.232658 161.0677       64.48686 140.6044       97.07253 177.2322       86.27564 31.85905 10.68384 35.46218 9.751975 -3.603132      14.46532 
1 1 1 -1  27 10 o 62.27117 4.721406 501.7704       71.12160 493.5973       100.6878 509.9089       100.4748 61.72523 6.742356 62.81710 6.611151 -1.091866      9.442811 
1 1 1 -1  27 11 o 23.61744 6.771472 43.75545       64.23849 99.38612       87.84570 -20.18512      94.17846 27.22906 10.06888 20.00581 9.056980 7.223249       13.54294 
1 1 1 -1  27 12 o 72.86589 4.241431 697.0516       74.70144 700.2161       103.6512 693.6315       107.7559 73.17295 5.854929 72.55884 6.138302 0.6141129      8.482862 
1 1 1 -1  27 13 o 21.80933 6.782233 21.06756       71.02187 77.94954       102.5033 -31.45455      98.49666 24.64621 10.29613 18.97245 8.830882 5.673765       13.56447 
1 1 1 -1  29 1  o 46.53923 5.895700 280.9586       64.20418 360.5594       97.34077 219.6610       85.41959 52.91927 7.602888 40.15918 9.012948 12.76009       11.79140 
1 1 1 -1  29 2  o 69.08933 4.236256 601.3092       70.34251 598.6013       105.4635 603.4793       94.41040 68.78770 6.337079 69.39097 5.623602 -0.6032715     8.472512 
1 1 1 -1  29 3  o 38.63814 6.853724 203.2178       64.71632 268.9705       97.34118 151.1315       86.63663 44.23395 9.386321 33.04233 9.989549 11.19162       13.70745 
1 1 1 -1  29 4  o 87.71568 3.639230 955.6454       76.82423 1019.260       115.9771 905.9082       102.5496 90.20695 5.314100 85.22441 4.973562 4.982544       7.278460 
1 1 1 -1  29 5  o 110.2963 3.270996 1487.474       86.47517 1788.952       132.2177 1262.110       114.3151 119.9368 4.556534 100.6557 4.694215 19.28111       6.541992 
1 1 1 -1  29 6  o 92.38943 5.276554 1132.060       115.7160 1012.731       174.6354 1225.461       154.5022 87.17696 8.279962 97.60191 6.542958 -10.42495      10.55311 
1 1 1 -1  29 7  o 35.38845 8.729749 190.9724       92.27333 219.2742       132.4810 164.3070       128.5941 37.39772 12.48148 33.37917 12.20847 4.018555       17.45950 
1 1 1 -1  29 8  o 47.37038 7.821485 350.4489       101.7730 571.8025       144.9994 135.5146       142.8814 63.56529 9.428526 31.17547 12.48220 32.38982       15.64297 
1 1 1 -1  29 9  o 24.82535 7.666593 -5.873710      97.22712 -164.3070      140.9323 138.0131       134.3067 19.27775 9.389085 30.37294 12.12236 -11.09519      15.33319 
1 1 1 -1  29 10 o 67.18309 7.797857 729.2947       122.1536 782.5104       167.0721 668.1737       179.0522 71.92558 9.601038 62.44059 12.29009 9.484989       15.59571 
1 1 1 0   0  3  o 269.9949 3.646440 8831.757       336.5769 8831.757       336.5769 8831.757       336.5769 269.9949 5.156845 269.9949 5.156845 0.000000       0.000000 
1 1 1 0   0  4  o 364.0108 4.706426 16055.58       585.7269 16055.58       585.7269 16055.58       585.7269 364.0108 6.655891 364.0108 6.655891 0.000000       0.000000 
1 1 1 0   0  5  o 201.9847 2.925411 4942.545       201.9814 4942.545       201.9814 4942.545       201.9814 201.9847 4.137156 201.9847 4.137156 0.000000       0.000000 
1 1 1 0   0  6  o 180.0651 2.708687 3928.078       166.7101 3928.078       166.7101 3928.078       166.7101 180.0651 3.830661 180.0651 3.830661 0.000000       0.000000 
1 1 1 0   0  7  o 485.2498 6.125311 28526.14       1016.246 28526.14       1016.246 28526.14       1016.246 485.2498 8.662498 485.2498 8.662498 0.000000       0.000000 
1 1 1 0   0  8  o 43.42529 1.926165 230.8103       28.36082 230.8103       28.36082 230.8103       28.36082 43.42529 2.724008 43.42529 2.724008 0.000000       0.000000 
1 1 1 0   0  9  o 808.2422 9.991755 79228.02       2761.221 79228.02       2761.221 79228.02       2761.221 808.2422 14.13048 808.2422 14.13048 0.000000       0.000000 
1 1 1 0   0  10 o 378.3641 4.882331 17345.96       631.5797 17345.96       631.5797 17345.96       631.5797 378.3641 6.904658 378.3641 6.904658 0.000000       0.000000 
1 1 1 0   0  11 o 69.62270 1.974408 589.2982       46.86137 589.2982       46.86137 589.2982       46.86137 69.62270 2.792234 69.62270 2.792234 0.000000       0.000000 
1 1 1 0   0  12 f 329.9058 4.337915 13194.28       489.2711 13194.28       489.2711 13194.28       489.2711 329.9058 6.134739 329.9058 6.134739 0.000000       0.000000 
1 1 1 0   0  13 o 150.7874 2.487856 2756.186       128.1956 2756.186       128.1956 2756.186       128.1956 150.7874 3.518359 150.7874 3.518359 0.000000       0.000000 
1 1 1 0   0  14 o 270.6946 3.688863 8884.418       341.3700 8884.418       341.3700 8884.418       341.3700 270.6946 5.216839 270.6946 5.216839 0.000000       0.000000 
1 1 1 0   0  15 o 297.6161 3.992707 10744.80       406.2453 10744.80       406.2453 10744.80       406.2453 297.6161 5.646540 297.6161 5.646540 0.000000       0.000000 
1 1 1 0   0  16 o 190.1813 2.861769 4386.850       186.0268 4386.850       186.0268 4386.850       186.0268 190.1813 4.047152 190.1813 4.047152 0.000000       0.000000 
1 1 1 0   2  2  o 391.6056 5.019095 18570.96       475.3100 18932.99       684.8533 18234.53       660.2037 395.2797 7.161282 387.9315 7.034296 7.348206       10.03819 
1 1 1 0   2  4  o 173.3219 2.642358 3633.428       110.7685 3718.418       159.0490 3553.379       154.3569 175.2887 3.750376 171.3550 3.723291 3.933685       5.284715 
1 1 1 0   2  5  o 311.5739 4.106558 11753.00       309.5569 11770.32       438.3070 11735.78       437.2542 311.8027 5.810268 311.3451 5.804832 0.4576111      8.213117 
1 1 1 0   2  6  o 309.5906 4.084187 11591.52       305.7280 11872.08       441.7586 11333.61       423.5457 313.1812 5.830247 306.0000 5.721061 7.181274       8.168373 
1 1 1 0   2  7  o 185.7100 3.212321 4140.357       123.6560 4110.009       141.7897 4236.764       252.7142 184.3129 3.179703 187.1071 5.582609 -2.794128      6.424643 
1 1 1 0   2  8  o 336.9735 5.064440 13845.96       360.9026 13953.69       419.5756 13539.56       707.6213 339.5704 5.107144 334.3766 8.747073 5.193787       10.12888 
1 1 1 0   2  9  o 448.7540 6.581858 24335.31       616.2693 24274.66       709.7625 24521.12       1242.272 447.7926 6.551395 449.7153 11.41765 -1.922699      13.16372 
1 1 1 0   2  10 o 399.4116 5.901514 19464.13       498.1671 19601.54       578.9035 19071.98       977.9677 402.3392 5.947186 396.4840 10.19522 5.855133       11.80303 
1 1 1 0   2  11 o 295.1652 4.554098 10573.25       281.6973 10587.52       325.4557 10530.64       562.4640 295.7028 4.549191 294.6277 7.890760 1.075104       9.108196 
1 1 1 0   2  12 o 374.1613 5.555969 17275.93       445.6820 17611.77       523.7908 16395.00       848.3308 381.1899 5.679553 367.1327 9.550803 14.05728       11.11194 
1 1 1 0   2  13 o 108.3267 2.585369 1409.608       57.03610 1400.063       64.89737 1441.999       119.5554 107.5565 2.493953 109.0970 4.529540 -1.540497      5.170739 
1 1 1 0   2  14 o 172.4071 2.685485 3599.327       111.9989 3546.904       156.7198 3654.045       160.1155 171.1252 3.785365 173.6891 3.810293 -2.563889      5.370970 
1 1 1 0   2  15 o 84.87253 3.028450 872.2577       62.18560 0.000000       0.000000 872.2577       62.18560 ?        ?        84.87253 3.028450 ?              ?        
1 1 1 0   2  16 o 88.29041 2.135686 942.5874       45.57373 889.9911       62.99256 1000.353       66.01563 85.71017 3.037768 90.87064 3.002762 -5.160477      4.271371 
1 1 1 0   2  17 o 63.52868 3.023690 489.3283       46.47393 0.000000       0.000000 489.3283       46.47393 ?        ?        63.52868 3.023690 ?              ?        
1 1 1 0   2  18 o 90.42749 2.952569 992.7088       64.59560 0.000000       0.000000 992.7088       64.59560 ?        ?        90.42749 2.952569 ?              ?        
1 1 1 0   4  1  o 491.3445 6.190536 29262.84       735.6088 29772.89       1058.293 28786.05       1023.209 495.4745 8.828411 487.2145 8.680444 8.259949       12.38107 
1 1 1 0   4  2  o 499.5544 6.295514 30093.83       757.4287 31987.22       1138.209 28588.97       1014.726 513.5408 9.161043 485.5679 8.637667 27.97293       12.59103 
1 1 1 0   4  3  o 427.7378 5.443855 22163.63       563.2145 21860.75       785.7696 22483.66       807.6939 424.7384 7.646653 430.7372 7.750543 -5.998779      10.88771 
1 1 1 0   4  4  o 69.64577 1.976054 586.8801       33.29449 595.0938       47.17301 578.7271       46.99852 70.13140 2.780217 69.16013 2.808834 0.9712677      3.952108 
1 1 1 0   4  5  o 606.3290 7.548187 44575.87       1107.261 44675.27       1569.516 44477.37       1562.316 607.0002 10.68746 605.6577 10.66202 1.342590       15.09637 
1 1 1 0   4  6  o 745.4650 11.28125 67662.19       1926.159 66924.45       3298.044 68044.09       2372.902 741.9058 18.37407 749.0242 13.09428 -7.118408      22.56250 
1 1 1 0   4  7  o 492.1379 6.198112 29327.65       737.9825 29279.38       1041.604 29376.30       1045.738 491.7319 8.755319 492.5440 8.775577 -0.8120728     12.39622 
1 1 1 0   4  8  o 691.4926 8.566894 57968.51       1433.215 57873.09       2023.353 58064.60       2030.409 690.9228 12.10431 692.0623 12.12652 -1.139465      17.13379 
1 1 1 0   4  9  o 574.2961 7.170277 39975.54       996.2628 39951.36       1408.089 39999.78       1409.769 574.1226 10.13732 574.4697 10.14328 -0.3471680     14.34055 
1 1 1 0   4  10 o 465.7339 6.856143 26024.67       657.6193 25760.56       751.4312 26888.76       1359.163 461.1194 6.735557 470.3483 11.94400 -9.228821      13.71229 
1 1 1 0   4  11 o 190.7388 3.310833 4433.870       132.1551 4462.139       152.7648 4349.792       263.4572 192.0075 3.288538 189.4700 5.747344 2.537476       6.621665 
1 1 1 0   4  12 o 67.67695 2.665017 534.2304       34.61718 521.8033       38.38707 588.3403       80.10109 65.66524 2.416279 69.68866 4.750879 -4.023422      5.330034 
1 1 1 0   4  13 o 289.2733 4.502352 10182.84       273.0747 10211.55       315.7159 10097.56       544.1053 290.3139 4.494965 288.2328 7.802564 2.081116       9.004704 
1 1 1 0   4  14 o 215.9445 3.603712 5814.919       166.9880 6016.253       197.1627 5303.986       314.0855 222.8719 3.656513 209.0172 6.211029 13.85463       7.207425 
1 1 1 0   4  15 o 76.87672 3.099243 776.0233       50.70420 861.7924       61.01179 584.5330       91.16359 84.36015 2.989332 69.39330 5.430021 14.96684       6.198487 
1 1 1 0   4  16 o 213.5443 3.606992 5529.058       159.8429 5516.931       183.6630 5566.924       324.5456 213.3157 3.558742 213.7728 6.275103 -0.4571075     7.213984 
1 1 1 0   4  17 o 88.11292 4.724015 944.9138       100.7055 0.000000       0.000000 944.9138       100.7055 ?        ?        88.11292 4.724015 ?              ?        
1 1 1 0   4  18 o 14.69064 5.723504 16.43241       29.30865 0.000000       0.000000 16.43241       29.30865 ?        ?        14.69064 5.723504 ?              ?        
1 1 1 0   4  19 o 78.82183 3.062439 756.0507       58.40046 0.000000       0.000000 756.0507       58.40046 ?        ?        78.82183 3.062439 ?              ?        
1 1 1 0   6  0  o 408.3233 7.384939 20191.27       729.2738 19869.13       1014.743 20535.40       1048.798 404.9618 10.35713 411.6848 10.52991 -6.722961      14.76988 
1 1 1 0   6  1  o 538.3427 6.748908 35140.86       878.8522 35551.37       1257.398 34748.78       1228.863 541.4078 9.599439 535.2776 9.489035 6.130127       13.49782 
1 1 1 0   6  2  o 271.1722 3.682969 8900.797       241.6044 8977.492       344.5446 8826.601       338.8862 272.3206 5.229530 270.0239 5.187395 2.296631       7.365939 
1 1 1 0   6  3  o 700.5994 8.685285 59562.54       1471.579 60550.41       2117.209 58639.25       2046.829 706.1941 12.39189 695.0046 12.17283 11.18951       17.37057 
1 1 1 0   6  4  o 789.7421 12.00630 75521.31       2146.329 76894.70       3787.977 74871.88       2604.825 794.2231 19.71344 785.2610 13.71078 8.962158       24.01261 
1 1 1 0   6  5  o 185.8162 2.811597 4174.546       126.3444 4292.083       181.9204 4065.031       175.6030 188.3407 3.992408 183.2917 3.959924 5.048904       5.623195 
1 1 1 0   6  6  o 283.5454 5.399824 9729.334       370.4286 9729.334       370.4286 0.000000       0.000000 283.5454 5.399824 ?        ?        ?              ?        
1 1 1 0   6  7  o 426.7152 5.438588 22043.87       561.4473 21926.50       789.7343 22163.81       798.3486 425.5678 7.670258 427.8626 7.712335 -2.294861      10.87718 
1 1 1 0   6  8  o 650.9240 8.084065 51351.02       1272.710 52123.30       1827.290 50623.40       1773.675 655.6641 11.51924 646.1837 11.34529 9.480408       16.16813 
1 1 1 0   6  9  o 479.1683 6.051293 27806.15       701.0881 27244.95       971.2216 28416.77       1013.079 474.1335 8.466723 484.2030 8.647959 -10.06949      12.10259 
1 1 1 0   6  10 o 596.0728 7.449026 43180.02       1074.213 43358.88       1525.625 43004.16       1512.789 597.2908 10.55747 594.8547 10.51151 2.436157       14.89805 
1 1 1 0   6  11 o 305.3109 4.062697 11290.08       299.9569 11077.94       416.6106 11518.41       432.2264 302.3398 5.695510 308.2819 5.795101 -5.942108      8.125394 
1 1 1 0   6  12 o 160.2608 2.600550 3107.957       100.7998 3193.164       144.7181 3027.666       140.4812 162.3927 3.683442 158.1289 3.672017 4.263840       5.201101 
1 1 1 0   6  13 o 312.4722 4.781642 12046.20       319.0045 12269.54       373.9384 11449.14       611.4036 318.1646 4.857871 306.7798 8.237566 11.38474       9.563284 
1 1 1 0   6  14 o 197.8115 3.433596 4942.390       146.8093 5217.026       175.1580 4293.873       269.1604 207.5456 3.488303 188.0773 5.915241 19.46831       6.867193 
1 1 1 0   6  15 o 227.5189 3.759394 6463.220       183.6225 6688.128       216.8918 5894.111       345.0156 234.9093 3.816283 220.1286 6.478283 14.78069       7.518788 
1 1 1 0   6  16 o 65.05307 3.093269 503.4013       37.22673 497.7296       40.95082 530.3986       89.34409 64.09930 2.640627 66.00684 5.594671 -1.907547      6.186539 
1 1 1 0   6  17 o 133.7179 2.882301 2218.435       79.61584 2260.998       91.79750 2089.233       159.9391 136.5468 2.778734 130.8891 5.050670 5.657745       5.764601 
1 1 1 0   6  18 o 58.94781 3.299858 436.8336       35.49346 443.4473       39.17719 406.5437       83.84229 60.43865 2.679268 57.45699 6.031399 2.981663       6.599716 
1 1 1 0   6  19 o 41.71124 4.268948 209.3415       29.30367 205.5030       31.60681 232.8376       78.19810 41.07248 3.180734 42.35000 7.923295 -1.277515      8.537896 
1 1 1 0   6  20 o 54.56121 3.617474 364.7478       47.75202 0.000000       0.000000 364.7478       47.75202 ?        ?        54.56121 3.617474 ?              ?        
1 1 1 0   8  0  o 955.4014 23.54306 111052.9       5441.906 111052.9       5441.906 0.000000       0.000000 955.4014 23.54306 ?        ?        ?              ?        
1 1 1 0   8  1  o 249.8344 3.473610 7554.191       209.9593 7568.252       297.0659 7540.157       296.7890 250.0667 4.910148 249.6020 4.914704 0.4647064      6.947220 
1 1 1 0   8  2  o 516.3649 6.493186 32157.39       808.2272 33958.64       1206.525 30691.13       1088.566 529.4014 9.419961 503.3285 8.939249 26.07291       12.98637 
1 1 1 0   8  3  o 364.0186 4.724777 16013.73       415.5779 15530.69       570.5328 16559.69       606.5512 358.1846 6.583719 369.8525 6.778547 -11.66785      9.449553 
1 1 1 0   8  4  o 710.8754 8.801073 61251.88       1513.468 60667.07       2119.590 61860.20       2161.769 707.4218 12.38429 714.3290 12.50860 -6.907227      17.60215 
1 1 1 0   8  5  o 385.6015 4.972383 17997.80       463.8712 17934.56       653.6202 18061.98       658.4323 384.9195 7.018644 386.2834 7.045352 -1.363953      9.944765 
1 1 1 0   8  6  f 955.4074 11.75881 110816.5       2717.199 109339.5       3787.064 112383.6       3900.863 948.8785 16.49642 961.9363 16.76147 -13.05786      23.51763 
1 1 1 0   8  7  o 665.3915 8.256808 53681.49       1329.170 53460.19       1871.649 53906.66       1887.917 664.0115 11.65055 666.7714 11.70317 -2.759949      16.51362 
1 1 1 0   8  8  o 357.9715 4.654733 15508.50       402.9567 15228.12       560.0002 15809.56       580.2740 354.6213 6.527112 361.3217 6.637993 -6.700409      9.309465 
1 1 1 0   8  9  o 273.3204 3.720645 9009.611       245.3253 8588.021       331.9937 9516.718       364.1112 266.3117 5.152730 280.3292 5.368629 -14.01752      7.441290 
1 1 1 0   8  10 o 91.48454 2.273011 1012.409       50.27663 998.0816       69.65168 1027.995       72.64664 90.80982 3.170271 92.15926 3.258174 -1.349442      4.546022 
1 1 1 0   8  11 o 93.88615 2.294712 1067.396       52.09207 1079.036       72.65639 1055.084       74.72579 94.41430 3.180781 93.35801 3.308390 1.056290       4.589424 
1 1 1 0   8  12 o 267.2872 3.662532 8660.313       236.8433 8682.894       335.2253 8637.807       334.6693 267.6353 5.177154 266.9390 5.182048 0.6962891      7.325063 
1 1 1 0   8  13 o 97.47823 2.371204 1150.736       55.91615 1164.535       78.88576 1136.802       79.27040 98.06646 3.324878 96.89001 3.381658 1.176453       4.742408 
1 1 1 0   8  14 o 218.9249 3.182131 5804.902       168.4370 5977.141       243.5996 5647.116       233.1553 222.0294 4.534859 215.8203 4.465299 6.209106       6.364263 
1 1 1 0   8  15 o 149.5889 3.081078 2841.819       97.02895 2988.586       113.9387 2454.491       185.0957 157.0658 2.998383 142.1120 5.383482 14.95383       6.162157 
1 1 1 0   8  16 o 53.81259 3.299690 302.9445       34.67968 273.7843       38.17726 440.5711       82.93934 47.51079 3.321316 60.11440 5.702690 -12.60361      6.599380 
1 1 1 0   8  17 o 108.9203 2.881132 1460.746       63.16809 1474.281       71.84303 1414.634       132.6064 110.2411 2.693637 107.5995 5.093919 2.641594       5.762264 
1 1 1 0   8  18 o 111.0201 2.944224 1586.242       66.43568 1663.331       76.72034 1355.146       132.8349 117.0155 2.709971 105.0246 5.227799 11.99097       5.888449 
1 1 1 0   8  19 o 145.4152 3.272951 2648.676       106.5066 2733.452       129.4630 2471.148       187.3454 149.5679 3.577708 141.2625 5.481682 8.305359       6.545902 
1 1 1 0   8  20 o 62.90955 3.868663 523.4750       42.08144 537.6302       46.07265 452.2308       103.3619 66.36251 2.869578 59.45658 7.185523 6.905926       7.737326 
1 1 1 0   10 0  o 507.2360 9.031773 31141.65       1107.923 30624.63       1540.628 31695.42       1594.436 502.8827 12.66277 511.5892 12.88200 -8.706543      18.06355 
1 1 1 0   10 1  o 829.5220 10.22905 83454.09       2052.590 84311.18       2933.135 82631.58       2873.388 833.6829 14.54215 825.3611 14.38958 8.321838       20.45811 
1 1 1 0   10 2  o 585.2458 7.313396 41361.57       1032.853 43219.91       1527.940 39797.89       1401.576 597.2946 10.57342 573.1971 10.10672 24.09741       14.62679 
1 1 1 0   10 3  o 218.5442 3.183090 5777.516       168.2690 5859.716       240.9152 5699.218       235.1270 220.0613 4.524996 217.0272 4.478020 3.034088       6.366180 
1 1 1 0   10 4  o 395.2451 5.089943 18866.25       485.8681 18193.98       663.7106 19642.52       713.1979 387.6814 7.076222 402.8089 7.318275 -15.12747      10.17989 
1 1 1 0   10 5  o 396.5067 5.115211 19003.29       490.0669 18467.26       672.8024 19609.11       715.2632 390.5651 7.120194 402.4483 7.346044 -11.88327      10.23042 
1 1 1 0   10 6  o 312.6388 4.161734 11828.46       314.7366 11987.52       450.1414 11676.31       440.2335 314.6937 5.912329 310.5838 5.858709 4.109924       8.323467 
1 1 1 0   10 7  o 356.7604 4.649616 15398.86       401.0189 15039.10       554.1937 15794.27       581.0089 352.3955 6.500232 361.1253 6.650014 -8.729736      9.299232 
1 1 1 0   10 8  o 193.0359 2.924720 4509.708       136.5742 4570.229       195.0730 4451.521       191.2732 194.3055 4.149634 191.7663 4.122678 2.539200       5.849439 
1 1 1 0   10 9  o 134.4570 2.478089 2188.518       80.60088 2199.605       113.1951 2177.115       114.7955 134.8033 3.470762 134.1107 3.538009 0.6925507      4.956178 
1 1 1 0   10 10 f 329.8291 4.350950 13168.42       346.7615 13640.14       506.0248 12750.80       476.1292 335.3772 6.236428 324.2809 6.068776 11.09625       8.701900 
1 1 1 0   10 11 o 247.5281 3.466278 7424.387       207.5643 7364.850       291.2367 7485.846       295.8994 246.5215 4.883027 248.5348 4.921015 -2.013290      6.932556 
1 1 1 0   10 12 o 366.9570 5.885308 16287.90       488.5858 16668.65       864.2558 16109.06       592.3200 369.7078 9.662319 364.2063 6.722126 5.501495       11.77062 
1 1 1 0   10 13 o 40.12268 4.187404 196.9597       40.19054 207.4234       53.86565 183.8192       60.36381 41.34669 5.384791 38.89867 6.414157 2.448021       8.374807 
1 1 1 0   10 14 o 259.7908 3.609792 8193.731       226.8848 8183.301       320.1929 8204.250       321.5384 259.6261 5.097544 259.9555 5.112479 -0.3294067     7.219584 
1 1 1 0   10 15 o 52.42131 3.027418 333.3999       38.21602 378.8781       55.13324 291.3414       53.01992 55.86849 4.078911 48.97412 4.474764 6.894367       6.054835 
1 1 1 0   10 16 o 93.83032 2.421140 1069.711       54.91976 1044.957       78.63941 1093.280       76.73225 92.76169 3.504042 94.89895 3.342060 -2.137260      4.842279 
1 1 1 0   10 17 o 87.27387 3.041113 878.0932       52.51329 842.6614       58.65108 1021.297       117.9115 83.29168 2.910530 91.25607 5.340627 -7.964386      6.082226 
1 1 1 0   10 18 o 27.61642 5.593328 56.98807       34.10335 29.24001       37.53305 188.3403       81.66129 17.50942 6.560309 37.72342 9.061106 -20.21400      11.18666 
1 1 1 0   10 19 o 65.92365 3.254700 530.9050       51.91041 530.9050       51.91041 0.000000       0.000000 65.92365 3.254700 ?        ?        ?              ?        
1 1 1 0   10 20 o 42.05978 5.955443 258.5497       43.50401 269.0905       47.49156 203.5693       108.4632 46.63053 4.209629 37.48904 11.14218 9.141483       11.91089 
1 1 1 0   12 0  o 499.8105 12.61498 30255.80       1525.437 30255.80       1525.437 0.000000       0.000000 499.8105 12.61498 ?        ?        ?              ?        
1 1 1 0   12 1  o 613.3794 9.456308 44873.70       1292.173 43727.35       1540.841 47590.72       2372.160 600.7109 10.60206 626.0480 15.66153 -25.33710      18.91262 
1 1 1 0   12 2  o 265.9768 7.378260 8565.140       474.7883 0.000000       0.000000 8565.140       474.7883 ?        ?        265.9768 7.378260 ?              ?        
1 1 1 0   12 3  o 476.7946 7.375562 27766.74       812.6023 28297.11       1014.503 26817.37       1357.314 483.3359 8.675653 470.2532 11.93016 13.08264       14.75112 
1 1 1 0   12 4  o 455.1732 6.972725 25546.02       751.6806 27810.46       995.7532 22546.10       1146.107 479.1340 8.589985 431.2124 10.98580 47.92166       13.94545 
1 1 1 0   12 5  o 355.2875 5.694482 15309.08       462.0578 15337.51       566.9241 15252.83       797.4426 355.8770 6.584497 354.6979 9.292626 1.179108       11.38896 
1 1 1 0   12 6  o 251.6543 4.356426 7495.875       243.4659 7243.923       289.0822 8110.648       451.5647 244.6077 4.884823 258.7008 7.214727 -14.09311      8.712852 
1 1 1 0   12 7  o 130.0247 3.139129 2058.814       91.98602 2079.943       111.6950 2014.277       162.1616 131.0891 3.521801 128.9602 5.197446 2.128906       6.278258 
1 1 1 0   12 8  o 593.1826 9.136827 42962.16       1235.984 42967.94       1514.260 42950.63       2139.389 594.1569 10.53409 592.2084 14.93182 1.948547       18.27365 
1 1 1 0   12 9  o 102.5064 3.029845 1244.077       70.14270 1196.085       84.35917 1351.576       126.2560 99.39581 3.508019 105.6169 4.941016 -6.221115      6.059689 
1 1 1 0   12 10 o 177.3666 2.831843 3804.427       121.4229 3658.976       167.7520 3964.496       175.9792 173.8119 3.989200 180.9213 4.020401 -7.109360      5.663687 
1 1 1 0   12 11 o 166.8282 2.759342 3369.451       111.3335 3435.198       160.0491 3307.811       154.9723 168.4027 3.928275 165.2537 3.876149 3.149017       5.518684 
1 1 1 0   12 12 o 146.7632 2.647529 2607.393       93.97011 2515.210       130.9915 2705.132       134.8815 144.0919 3.757519 149.4345 3.730776 -5.342636      5.295058 
1 1 1 0   12 13 o 318.6245 4.254999 12337.17       327.9685 12218.75       459.6591 12459.97       468.0908 317.0736 5.992024 320.1754 6.042822 -3.101807      8.509997 
1 1 1 0   12 14 o 70.60320 2.871472 604.7961       49.03434 608.9442       70.31528 600.8694       68.41386 70.83650 4.102894 70.36988 4.018416 0.4666214      5.742945 
1 1 1 0   12 15 o 136.4825 3.274052 2314.472       101.7690 2418.168       126.0323 2120.167       172.5219 141.1168 3.691484 131.8483 5.408383 9.268509       6.548104 
1 1 1 0   12 16 o 82.70772 3.485493 853.9844       64.22211 884.4761       77.83206 788.9352       113.6810 85.24747 3.773764 80.16798 5.861174 5.079491       6.970987 
1 1 1 0   12 17 o 25.57286 5.139384 49.88051       36.98103 166.8055       66.37120 -2.762797      44.53461 35.81829 7.873606 15.32744 6.607526 20.49085       10.27877 
1 1 1 0   12 18 o 70.88445 3.790384 657.4836       52.46539 685.7738       59.62846 560.4997       110.4043 74.96230 3.287823 66.80658 6.830686 8.155724       7.580768 
1 1 1 0   12 19 o 57.90066 4.618680 459.7667       49.37541 483.4035       55.39226 368.3522       108.9336 62.74298 3.649065 53.05833 8.486056 9.684654       9.237361 
1 1 1 0   12 20 o 55.69384 5.279805 466.5610       49.91476 503.3596       55.96255 323.3789       110.3892 63.84906 3.622769 47.53861 9.918715 16.31046       10.55961 
1 1 1 0   14 0  o 153.3454 3.864321 2845.101       143.3508 2897.085       204.3824 2794.765       201.1144 154.7239 5.459888 151.9670 5.470056 2.756958       7.728641 
1 1 1 0   14 1  o 701.9756 8.724371 59776.76       1479.968 58198.46       2034.854 61549.26       2156.413 692.1969 12.15070 711.7544 12.52274 -19.55750      17.44874 
1 1 1 0   14 2  o 305.4608 4.118603 11231.24       303.0588 10614.98       406.3186 12003.95       454.9769 296.0812 5.672226 314.8403 5.973058 -18.75906      8.237206 
1 1 1 0   14 3  o 206.2170 3.133362 5145.546       156.2728 5070.146       217.5550 5225.922       224.6204 204.6581 4.393775 207.7759 4.468396 -3.117798      6.266724 
1 1 1 0   14 4  o 150.5466 2.717266 2741.387       98.88715 2699.197       136.6430 2787.781       143.2887 149.3327 3.782074 151.7605 3.902571 -2.427826      5.434533 
1 1 1 0   14 5  o 227.9167 3.319931 6285.670       182.9825 6137.801       254.1228 6444.889       263.6953 225.1366 4.665468 230.6969 4.724528 -5.560272      6.639861 
1 1 1 0   14 6  o 169.7924 2.816670 3489.132       115.6821 3583.960       165.3648 3398.249       161.8889 172.0513 3.972673 167.5336 3.994044 4.517715       5.633340 
1 1 1 0   14 7  o 188.9191 2.960703 4321.895       135.3189 4284.707       190.4415 4359.815       192.3118 188.0985 4.184793 189.7397 4.189338 -1.641220      5.921406 
1 1 1 0   14 8  o 338.8800 6.322101 13931.79       518.3340 0.000000       0.000000 13931.79       518.3340 ?        ?        338.8800 6.322101 ?              ?        
1 1 1 0   14 9  o 216.2606 3.196673 5665.680       167.2337 5736.699       238.8235 5597.355       234.2512 217.5888 4.536680 214.9324 4.504822 2.656403       6.393347 
1 1 1 0   14 10 f 110.9311 3.569611 1490.318       95.80245 0.000000       0.000000 1490.318       95.80245 ?        ?        110.9311 3.569611 ?              ?        
1 1 1 0   14 11 o 128.6615 2.636711 2004.681       82.04671 2031.300       117.8904 1979.676       114.2580 129.4878 3.763113 127.8352 3.694314 1.652580       5.273421 
1 1 1 0   14 12 o 155.4528 2.770538 2927.243       104.1632 3016.155       149.6348 2843.652       145.0885 157.7412 3.920893 153.1644 3.915371 4.576797       5.541077 
1 1 1 0   14 13 o 249.6536 3.548572 7552.251       213.9326 7954.398       314.5719 7206.215       291.8023 255.8023 5.082920 243.5050 4.953117 12.29732       7.097143 
1 1 1 0   14 14 o 99.63083 2.617848 1197.513       62.89933 1319.368       93.36618 1096.252       85.11189 104.2418 3.702075 95.01982 3.702318 9.222023       5.235697 
1 1 1 0   14 15 o 58.43729 3.229392 415.4996       45.59036 437.5238       66.72010 396.2096       62.44139 59.88192 4.605308 56.99266 4.528468 2.889252       6.458784 
1 1 1 0   14 16 o 19.71168 5.475297 20.85303       38.62383 57.77806       61.32961 -3.418516      49.72313 23.26567 8.443016 16.15769 6.973592 7.107979       10.95059 
1 1 1 0   14 17 o 74.47404 2.909088 665.0073       51.85130 801.0493       80.38406 568.0677       67.85531 80.85834 4.109064 68.08976 4.119075 12.76858       5.818177 
1 1 1 0   14 18 o 42.77769 4.027865 225.9539       41.07568 245.3212       64.79977 212.9447       53.10872 44.19908 6.059795 41.35631 5.307888 2.842770       8.055730 
1 1 1 0   14 19 o 85.31797 4.010968 919.3223       76.11240 917.4787       91.38263 923.4979       137.5293 85.92101 4.396044 84.71494 6.710162 1.206070       8.021936 
1 1 1 0   14 20 o 36.80936 6.824645 220.7808       72.73505 305.0565       90.27359 64.83046       122.8012 47.32841 7.883816 26.29031 11.14220 21.03810       13.64929 
1 1 1 0   16 0  o 1021.689 17.97795 128309.6       4442.203 126353.4       6181.614 130398.6       6387.913 1013.784 25.20310 1029.593 25.64431 -15.80872      35.95590 
1 1 1 0   16 1  o 246.1205 3.515198 7336.658       209.3071 7283.785       294.4759 7390.643       297.5582 245.2249 4.963442 247.0161 4.979026 -1.791275      7.030395 
1 1 1 0   16 2  o 618.4806 7.753208 46444.07       1157.533 44765.09       1574.858 48416.92       1707.127 606.4398 10.73375 630.5214 11.19087 -24.08160      15.50642 
1 1 1 0   16 3  o 212.7514 3.203282 5460.556       164.5153 5805.154       242.7424 5167.804       223.7374 218.9324 4.582825 206.5704 4.476804 12.36200       6.406564 
1 1 1 0   16 4  f 219.5387 3.261292 5829.334       173.0723 6045.126       251.2360 5634.438       238.7624 223.3974 4.648378 215.6799 4.575661 7.717529       6.522583 
1 1 1 0   16 5  o 162.2239 2.834311 3182.671       111.1651 3041.563       154.1317 3335.647       160.4828 158.4809 4.019877 165.9668 3.996732 -7.485916      5.668622 
1 1 1 0   16 6  o 311.7650 4.189426 11786.06       315.9611 11908.93       451.0396 11667.67       442.7488 313.3569 5.949399 310.1731 5.899985 3.183746       8.378853 
1 1 1 0   16 7  o 53.85085 3.759024 351.8326       48.80124 390.8701       69.74133 314.3792       68.31164 56.78512 5.076371 50.91658 5.545403 5.868538       7.518047 
1 1 1 0   16 8  o 131.9456 2.729963 2105.893       87.08482 2213.010       125.6919 2007.003       120.7686 135.1689 3.843513 128.7224 3.877911 6.446487       5.459926 
1 1 1 0   16 9  o 166.6552 4.032053 3365.119       162.5726 3365.119       162.5726 0.000000       0.000000 166.6552 4.032053 ?        ?        ?              ?        
1 1 1 0   16 10 o 231.8175 3.395723 6508.388       190.2667 6732.430       276.5908 6307.137       262.1455 235.5925 4.852594 228.0426 4.751429 7.549957       6.791447 
1 1 1 0   16 11 o 48.02547 4.208609 285.2154       48.04480 331.1608       66.15860 233.9474       69.88570 52.21551 5.237023 43.83544 6.589624 8.380070       8.417217 
1 1 1 0   16 12 o 217.3512 3.263832 5691.470       170.7534 6218.247       257.9183 5280.417       227.8340 226.2095 4.712692 208.4929 4.516738 17.71664       6.527663 
1 1 1 0   16 13 o 135.9815 2.715097 2231.791       88.94118 2400.103       133.5357 2097.591       119.2387 140.5465 3.927127 131.4165 3.750291 9.130035       5.430194 
1 1 1 0   16 14 o 70.71236 3.231945 601.8141       54.83799 720.9294       82.75011 508.5410       73.22565 76.88226 4.448772 64.54245 4.689381 12.33981       6.463890 
1 1 1 0   16 15 o 22.87770 5.930771 54.40320       42.96699 58.03505       61.22979 50.87969       60.30967 23.28428 8.438227 22.47112 8.336217 0.8131599      11.86154 
1 1 1 0   16 16 o 90.50179 2.852937 993.2917       62.16943 1118.771       93.33623 893.2256       83.35046 95.59014 4.035848 85.41344 4.033475 10.17670       5.705873 
1 1 1 0   16 17 f 74.28105 3.229437 674.2493       57.13486 721.2021       90.22071 642.8113       73.82493 76.30737 4.886946 72.25473 4.223130 4.052635       6.458875 
1 1 1 0   16 18 o 32.22464 6.096160 136.1368       48.26408 186.4925       76.94661 103.4752       61.97038 36.75630 8.774316 27.69299 8.465462 9.063313       12.19232 
1 1 1 0   16 19 o 20.64139 6.075490 23.37568       49.03838 57.83767       80.40708 2.966329       61.87834 23.53513 9.383914 17.74764 7.719355 5.787491       12.15098 
1 1 1 0   16 20 o 32.21601 8.276873 178.7366       81.57581 174.4200       101.0931 186.7936       138.1149 32.24640 10.90241 32.18561 12.45649 0.6079102E-01  16.55375 
1 1 1 0   18 0  f 430.8208 7.837172 22477.88       814.8291 21558.60       1105.974 23569.30       1205.078 421.2578 10.85162 440.3839 11.31050 -19.12604      15.67434 
1 1 1 0   18 1  o 209.0309 3.206820 5292.695       162.1634 5220.712       227.6494 5366.848       231.0560 207.5884 4.532744 210.4734 4.537511 -2.884995      6.413640 
1 1 1 0   18 2  o 216.4603 3.262679 5674.464       170.8157 5577.034       238.0789 5777.825       245.2192 214.5483 4.586627 218.3723 4.641461 -3.823944      6.525358 
1 1 1 0   18 3  f 129.1553 2.752043 2016.327       85.90446 1933.561       118.2473 2108.829       125.0090 126.3550 3.868091 131.9556 3.915715 -5.600639      5.504085 
1 1 1 0   18 4  o 104.7652 2.769958 1331.098       70.11504 1392.675       98.37363 1267.518       99.96071 107.2352 3.791745 102.2953 4.038978 4.939919       5.539916 
1 1 1 0   18 5  f 292.6105 4.014035 10371.80       283.9030 10701.19       412.4699 10075.26       391.3604 297.0103 5.740087 288.2108 5.612603 8.799530       8.028070 
1 1 1 0   18 6  o 183.5060 3.010444 4076.997       133.5980 4203.552       192.3160 3958.963       185.7284 186.2552 4.267806 180.7568 4.246992 5.498444       6.020889 
1 1 1 0   18 7  o 152.7591 2.855113 2826.302       105.4982 2896.724       150.9067 2758.983       147.5441 154.6198 4.034047 150.8985 4.041428 3.721375       5.710225 
1 1 1 0   18 8  o 45.69901 4.869057 260.3298       51.80367 214.7897       73.93530 304.2468       72.60571 41.34967 7.673071 50.04833 5.996237 -8.698658      9.738114 
1 1 1 0   18 9  o 62.02781 3.826889 467.1992       57.35939 465.1554       79.10745 469.4649       83.29099 61.89070 5.283111 62.16492 5.537966 -0.2742195     7.653779 
1 1 1 0   18 10 f 252.4881 3.612166 7740.932       220.5062 7955.841       319.0392 7544.375       305.1126 255.8290 5.154564 249.1472 5.061763 6.681824       7.224332 
1 1 1 0   18 11 o 20.36178 5.713094 24.95056       42.95573 -0.7430911     63.60485 46.49671       58.24548 18.65705 7.966421 22.06651 8.191088 -3.409466      11.42619 
1 1 1 0   18 12 o 124.1566 2.801982 1856.329       83.75786 2086.259       125.9275 1673.907       112.1663 130.9830 3.973773 117.3301 3.951397 13.65296       5.603963 
1 1 1 0   18 13 o 35.11623 5.548943 166.8251       47.16445 99.32143       73.25920 214.6102       61.63742 28.46696 9.271136 41.76550 6.099925 -13.29854      11.09789 
1 1 1 0   18 14 f 87.02955 3.055528 923.7206       64.22540 974.4155       94.27267 879.8121       87.73608 89.24100 4.366355 84.81810 4.275505 4.422897       6.111055 
1 1 1 0   18 15 o 83.07185 3.130265 845.4329       62.83563 901.6521       91.30545 794.8512       86.60663 85.69567 4.403880 80.44802 4.449728 5.247650       6.260530 
1 1 1 0   18 16 o 35.85932 6.062762 170.5659       51.28466 190.4021       80.14018 156.8087       66.73976 37.49109 8.957748 34.22756 8.172336 3.263523       12.12552 
1 1 1 0   18 17 o 17.90633 5.604435 -10.76218      47.85887 -12.10088      70.67162 -9.628214      65.04346 18.19709 8.069312 17.61557 7.779779 0.5815201      11.20887 
1 1 1 0   18 18 o 18.99077 5.926889 -2.345200      53.12119 -24.44573      84.10215 12.32431       68.51939 18.79396 8.528544 19.18758 8.232618 -0.3936195     11.85378 
1 1 1 0   18 19 o 26.15901 6.466402 99.94213       56.34297 20.26771       92.53041 146.8908       71.02917 21.22588 9.330507 31.09215 8.955391 -9.866268      12.93280 
1 1 1 0   20 0  o 158.8159 4.080127 3055.936       156.7695 3052.945       222.3404 3058.894       221.0760 158.7378 5.789430 158.8940 5.750847 -0.1562500     8.160254 
1 1 1 0   20 1  o 268.9642 3.779873 8765.574       245.7852 9006.881       355.9829 8545.749       339.7693 272.4904 5.399773 265.4380 5.290768 7.052399       7.559746 
1 1 1 0   20 2  o 249.1196 3.595474 7525.646       216.6976 7469.657       305.0699 7582.665       307.8625 248.1849 5.080678 250.0542 5.088857 -1.869339      7.190949 
1 1 1 0   20 3  o 50.88144 4.421186 314.2990       54.15171 313.4776       72.97272 315.3058       80.78611 50.81718 5.935369 50.94570 6.554307 -0.1285248     8.842372 
1 1 1 0   20 4  o 201.8111 3.179695 4927.588       155.0623 4749.186       212.9717 5128.855       226.2088 197.9359 4.447285 205.6863 4.545712 -7.750320      6.359390 
1 1 1 0   20 5  o 119.8940 2.849520 1741.597       82.60261 1829.554       117.8860 1656.758       115.7779 122.8706 3.965630 116.9175 4.093022 5.953087       5.699040 
1 1 1 0   20 6  o 53.99066 4.559451 352.9410       59.39137 334.4278       80.40760 375.1675       88.10307 52.44439 6.337176 55.53693 6.557025 -3.092548      9.118902 
1 1 1 0   20 7  o 278.0586 3.888885 9387.877       261.4679 9159.327       362.4007 9636.014       377.6111 274.5421 5.456042 281.5751 5.543043 -7.032959      7.777771 
1 1 1 0   20 8  o 325.6486 4.386139 12899.48       345.1391 13355.06       503.5710 12495.88       473.9734 331.0293 6.287703 320.2678 6.116999 10.76144       8.772279 
1 1 1 0   20 9  f 62.29398 3.729399 469.3297       56.01166 523.7638       83.00775 423.8256       75.89427 65.59138 5.230817 58.99657 5.317163 6.594814       7.458797 
1 1 1 0   20 10 o 196.9503 3.155134 4700.870       149.9621 5006.965       221.9282 4443.667       203.4334 202.8086 4.522972 191.0920 4.400250 11.71657       6.310267 
1 1 1 0   20 11 o 160.4378 2.909490 3131.160       112.8198 3227.177       164.0885 3045.075       155.3709 162.7531 4.167224 158.1226 4.061377 4.630417       5.818981 
1 1 1 0   20 12 o 21.13558 6.160868 20.67343       50.84264 15.62201       75.43581 24.87804       68.82303 21.18279 8.839568 21.08838 8.584125 0.9441566E-01  12.32174 
1 1 1 0   20 13 o 166.3588 2.978663 3361.202       119.4015 3699.274       178.8253 3089.232       160.3930 173.8305 4.252074 158.8871 4.172481 14.94337       5.957325 
1 1 1 0   20 14 o 46.55663 5.362724 270.9378       58.28545 342.5320       90.76752 220.7021       76.03236 52.08496 7.203041 41.02831 7.946789 11.05665       10.72545 
1 1 1 0   20 15 o 25.55296 6.526824 62.24825       55.05642 129.5948       82.98454 9.296352       73.58347 31.02250 9.844858 20.08342 8.571845 10.93909       13.05365 
1 1 1 0   20 16 o 45.77961 5.718153 279.9716       61.95067 299.4821       88.69285 261.3844       86.56872 47.81013 7.667723 43.74910 8.484993 4.061031       11.43631 
1 1 1 0   20 17 o 63.57191 4.330763 526.7851       65.68752 625.0413       93.33039 430.3364       92.46797 69.88103 5.520284 57.26279 6.674467 12.61825       8.661527 
1 1 1 0   20 18 o 79.14707 3.784831 815.6449       72.40079 828.0137       105.0542 804.4558       99.91904 79.60941 5.454398 78.68474 5.248744 0.9246674      7.569662 
1 1 1 0   22 0  o 268.7805 5.367916 8774.402       349.0617 8801.903       494.8875 8747.175       492.4174 269.1986 7.598561 268.3625 7.584191 0.8361816      10.73583 
1 1 1 0   22 1  o 94.87598 3.096941 1091.071       71.04756 1069.287       98.50769 1114.688       102.5681 93.89226 4.336487 95.85970 4.422564 -1.967438      6.193883 
1 1 1 0   22 2  o 98.67809 3.182502 1180.298       75.88855 1263.953       109.0544 1101.753       105.6708 102.0704 4.416122 95.28577 4.583789 6.784637       6.365003 
1 1 1 0   22 3  o 103.9177 3.065181 1312.458       76.88959 1409.991       108.5315 1214.177       108.9463 107.8125 4.160871 100.0229 4.502054 7.789627       6.130362 
1 1 1 0   22 4  o 102.6763 3.016179 1281.836       74.78411 1339.645       104.2873 1220.641       107.2984 105.0764 4.102267 100.2763 4.422753 4.800072       6.032358 
1 1 1 0   22 5  o 221.2030 3.354370 5929.081       179.2316 6245.997       262.6710 5652.976       245.1759 226.7090 4.788957 215.6969 4.698201 11.01218       6.708741 
1 1 1 0   22 6  o 299.3354 4.123729 10806.57       296.4001 11862.67       454.2547 10023.56       391.1372 311.8582 6.020602 286.8125 5.636748 25.04565       8.247458 
1 1 1 0   22 7  o 162.3694 3.590810 3185.525       132.2655 3287.329       233.1730 3137.229       160.6039 164.0735 5.874049 160.6652 4.131732 3.408340       7.181619 
1 1 1 0   22 8  o 106.7423 2.955985 1380.650       76.03828 1450.248       113.6677 1324.278       102.2975 109.1477 4.304475 104.3370 4.052515 4.810715       5.911969 
1 1 1 0   22 9  o 173.1672 3.012588 3636.422       125.8705 3936.011       186.4645 3385.625       170.6061 179.6760 4.289471 166.6584 4.231216 13.01767       6.025177 
1 1 1 0   22 10 o 75.52043 3.483501 698.6746       63.23660 699.3915       94.96758 698.1036       84.76044 75.50100 5.199006 75.53986 4.637829 -0.3886414E-01 6.967002 
1 1 1 0   22 11 o 78.20509 3.549613 749.9659       67.04663 814.0405       97.24179 691.9036       92.56734 81.40176 4.937611 75.00842 5.100884 6.393341       7.099227 
1 1 1 0   22 12 o 26.51953 5.646501 31.89311       53.67189 196.6279       80.73104 -98.59061      71.84988 38.45824 8.859101 14.58081 7.003444 23.87743       11.29300 
1 1 1 0   22 13 o 27.20769 6.970990 87.31833       59.01299 85.86929       86.64600 88.57207       80.59598 27.25548 10.01333 27.15990 9.701131 0.9557724E-01  13.94198 
1 1 1 0   22 14 o 46.36751 5.310891 276.7623       59.40721 295.5468       88.19096 261.1578       80.38020 47.75152 7.633690 44.98350 7.385731 2.768024       10.62178 
1 1 1 0   22 15 o 36.88194 6.858624 194.5771       63.21939 246.6859       91.16289 146.3009       87.74638 41.79808 9.258776 31.96579 10.12116 9.832287       13.71725 
1 1 1 0   22 16 o 37.87341 7.014741 219.7417       65.72108 248.2311       88.51516 184.7404       98.11108 41.27243 9.108521 34.47438 10.67058 6.798046       14.02948 
1 1 1 0   22 17 o 61.78812 5.005563 528.5032       74.75432 508.2277       102.9743 551.0939       108.6946 60.59882 7.023642 62.97742 7.133801 -2.378609      10.01113 
1 1 1 0   24 0  o 251.2991 5.143403 7692.053       312.6844 7792.980       445.7650 7594.289       438.7240 252.9190 7.284878 249.6792 7.262845 3.239746       10.28681 
1 1 1 0   24 1  o 93.16310 3.197439 1055.743       72.06806 1048.225       101.7501 1063.313       102.0900 92.82927 4.530516 93.49693 4.513190 -0.6676559     6.394877 
1 1 1 0   24 2  o 45.06290 5.042301 249.1245       54.93399 250.9721       79.32065 247.4215       76.15293 45.21247 7.251463 44.91331 7.008245 0.2991600      10.08460 
1 1 1 0   24 3  o 67.36053 3.840303 551.9344       62.46621 600.0252       91.22675 509.4822       85.71203 70.11954 5.377505 64.60153 5.483990 5.518013       7.680605 
1 1 1 0   24 4  o 214.1794 3.309759 5553.386       170.8077 5997.898       256.0723 5197.079       229.2625 221.8189 4.771575 206.5398 4.588037 15.27905       6.619517 
1 1 1 0   24 5  o 111.5503 2.947119 1514.203       79.41447 1533.827       115.8891 1496.828       109.0414 112.2132 4.268709 110.8874 4.064501 1.325821       5.894238 
1 1 1 0   24 6  o 172.0701 3.001815 3585.001       124.4652 3893.480       186.5108 3337.325       167.1217 178.6750 4.314573 165.4652 4.174688 13.20988       6.003629 
1 1 1 0   24 7  o 117.4152 3.062948 1667.542       86.45448 1823.688       131.6387 1549.108       114.6454 122.1711 4.453620 112.6594 4.206170 9.511642       6.125896 
1 1 1 0   24 8  o 117.1648 3.093363 1679.167       87.64214 1682.026       125.9945 1676.487       121.9919 117.2413 4.441898 117.0883 4.306405 0.1529388      6.186726 
1 1 1 0   24 9  f 30.57430 6.669382 115.6779       55.61740 164.0370       82.83448 75.98075       75.05016 35.15110 9.509818 25.99750 9.353395 9.153605       13.33876 
1 1 1 0   24 10 o 62.30910 6.251445 484.3731       94.23978 0.000000       0.000000 484.3731       94.23978 ?        ?        62.30910 6.251445 ?              ?        
1 1 1 0   24 11 o 73.02972 3.999511 662.4044       70.41135 746.0173       102.9026 588.7905       96.55376 77.40736 5.494670 68.65209 5.813172 8.755264       7.999023 
1 1 1 0   24 12 o 113.9816 3.182128 1610.026       87.55114 1747.609       124.6655 1476.130       122.9837 118.8855 4.334261 109.0777 4.660249 9.807808       6.364255 
1 1 1 0   24 13 o 32.74747 7.193244 152.6226       62.80460 149.4784       94.51168 155.1088       84.04502 32.43102 10.52884 33.06391 9.803800 -0.6328850     14.38649 
1 1 1 0   24 14 o 64.30192 4.339109 535.3447       67.47425 543.1921       94.56564 527.2062       96.30412 64.85667 6.026656 63.74717 6.244269 1.109497       8.678219 
1 1 1 0   24 15 o 29.73179 7.315521 128.7995       69.73123 207.0240       99.82392 54.25317       97.44868 35.77353 10.70220 23.69005 9.976483 12.08348       14.63104 
1 1 1 0   26 0  o 133.6452 4.286219 2151.773       137.6195 2518.739       208.3869 1867.936       183.2702 143.6274 5.996955 123.6629 6.125619 19.96445       8.572437 
1 1 1 0   26 1  o 165.5318 3.014659 3319.414       120.1968 3641.384       180.6499 3063.650       161.0085 172.6539 4.324730 158.4097 4.201117 14.24423       6.029318 
1 1 1 0   26 2  f 79.72041 3.593504 768.6525       68.81911 896.1791       104.5058 671.0069       91.44627 85.48356 5.053071 73.95726 5.110729 11.52630       7.187007 
1 1 1 0   26 3  o 120.1012 3.025293 1749.099       87.55443 1938.023       130.9350 1596.300       117.7527 125.9153 4.298086 114.2871 4.258644 11.62814       6.050586 
1 1 1 0   26 4  o 42.88922 5.952218 239.4028       59.73589 214.0196       90.75986 258.8026       79.34480 40.23244 9.479853 45.54601 7.200553 -5.313564      11.90444 
1 1 1 0   26 5  o 119.4992 3.028301 1727.323       87.02363 1961.413       131.9463 1547.102       115.7736 126.5711 4.308840 112.4274 4.256327 14.14365       6.056602 
1 1 1 0   26 6  o 34.06975 6.836570 156.1265       59.42917 128.3224       90.98122 176.8185       78.48718 31.63193 10.33330 36.50756 8.954196 -4.875628      13.67314 
1 1 1 0   26 7  o 108.4306 3.232466 1438.041       84.46611 1536.001       126.4436 1359.099       113.5070 111.7039 4.678711 105.1573 4.461503 6.546638       6.464931 
1 1 1 0   26 8  o 29.49708 7.251534 107.2674       63.30666 127.6865       94.19346 90.44520       85.49551 31.33608 10.52413 27.65808 9.979063 3.677999       14.50307 
1 1 1 0   26 9  o 42.94459 6.245291 249.4573       62.69530 229.1551       89.77105 268.7884       87.59796 40.98595 9.270171 44.90323 8.371295 -3.917282      12.49058 
1 1 1 0   26 10 o 100.9303 3.348274 1266.319       81.72840 1245.962       113.6774 1288.099       117.5844 100.1155 4.693217 101.7452 4.776763 -1.629715      6.696548 
1 1 1 0   26 11 f 73.58966 4.149947 687.6819       73.81378 662.2290       101.6772 716.0431       107.3288 72.18097 5.822353 74.99836 5.915104 -2.817390      8.299894 
1 1 1 0   26 12 o 32.35483 7.384646 153.6973       69.75555 88.92925       100.7056 213.4328       96.71394 26.97410 10.58147 37.73555 10.30362 -10.76145      14.76929 
1 1 1 0   26 13 o 30.84696 7.284314 148.1247       64.11193 159.5830       86.97730 134.4919       94.87220 32.07137 10.06671 29.62255 10.53121 2.448816       14.56863 
1 1 1 0   26 14 o 49.59774 6.446777 373.0384       74.57496 274.9579       101.1329 489.9298       110.4060 40.83255 10.25214 58.36293 7.819036 -17.53038      12.89355 
1 1 1 0   28 0  o 46.06213 7.741838 279.9330       85.99763 214.1582       120.4330 348.3641       122.8408 40.39362 11.66881 51.73065 10.17758 -11.33703      15.48368 
1 1 1 0   28 1  o 46.32034 5.833224 276.1479       63.42839 337.9851       94.10896 224.6759       85.86008 51.61274 7.536536 41.02794 8.905427 10.58480       11.66645 
1 1 1 0   28 2  o 71.79521 3.992815 634.4947       68.64869 686.5393       106.3804 597.3563       89.86393 74.19193 5.926562 69.39850 5.352209 4.793427       7.985630 
1 1 1 0   28 3  o 79.75642 3.825241 778.3836       73.25025 902.2129       112.0031 685.8345       96.82874 85.20635 5.433201 74.30648 5.386111 10.89987       7.650481 
1 1 1 0   28 4  o 123.7293 3.143750 1859.096       93.37338 2146.887       143.0861 1645.645       123.2277 131.9219 4.483097 115.5366 4.408457 16.38533       6.287499 
1 1 1 0   28 5  o 38.88564 6.572883 212.2879       63.98515 135.1305       97.28371 271.1126       84.94372 31.83600 10.69536 45.93527 7.643332 -14.09927      13.14577 
1 1 1 0   28 6  o 128.4365 4.121339 2203.411       119.4537 2656.256       155.7351 1556.217       186.1782 146.5413 4.392623 110.3317 6.974712 36.20963       8.242678 
1 1 1 0   28 7  o 75.70003 3.969291 720.2372       72.61516 751.6254       105.7928 692.2756       99.85129 77.23060 5.661926 74.16946 5.564501 3.061142       7.938581 
1 1 1 0   28 8  o 73.04323 5.862061 772.1479       90.48618 888.1405       111.0421 542.8912       156.1111 83.85081 5.473662 62.23563 10.36793 21.61518       11.72412 
1 1 1 0   28 9  o 25.46398 7.077415 55.13889       67.55289 131.9349       100.3036 -8.609277      91.38628 30.48107 10.82931 20.44688 9.115107 10.03419       14.15483 
1 1 1 0   28 10 o 36.06254 7.170259 198.2692       68.30282 130.5707       96.80090 265.3941       96.38994 29.76312 10.63168 42.36196 9.623816 -12.59884      14.34052 
1 1 1 0   28 11 o 36.35085 8.512364 223.3624       101.1424 68.34028       144.7028 371.4456       141.4273 26.53509 11.66615 46.16661 12.39929 -19.63153      17.02473 
1 1 1 0   28 12 o 23.45012 7.524490 9.792434       97.97132 -104.8543      142.7699 111.8263       134.6878 19.87406 9.626090 27.02618 11.56764 -7.152121      15.04898 
1 1 1 1   1  2  o 423.1934 10.79088 21748.96       1104.836 0.000000       0.000000 21748.96       1104.836 ?        ?        423.1934 10.79088 ?              ?        
1 1 1 1   1  3  o 411.9689 7.444915 20587.50       741.5762 20154.67       1027.070 21058.90       1071.857 407.4644 10.41857 416.4734 10.63769 -9.009003      14.88983 
1 1 1 1   1  4  o 64.48473 2.040556 481.8084       27.33035 462.9358       31.14345 545.0327       57.00223 61.85808 2.080980 67.11137 3.510698 -5.253292      4.081112 
1 1 1 1   1  5  o 242.6704 3.884688 7011.769       193.6868 6909.894       220.8199 7351.577       403.2946 238.9581 3.819568 246.3826 6.765656 -7.424561      7.769376 
1 1 1 1   1  6  o 401.4026 5.859999 19932.22       509.2504 20480.53       603.2392 18572.28       950.0248 411.3305 6.061726 391.4748 10.03065 19.85577       11.72000 
1 1 1 1   1  7  o 142.2700 2.726876 2369.258       79.21010 2303.955       89.78810 2598.453       168.2119 138.0002 2.689285 146.5397 4.744592 -8.539566      5.453751 
1 1 1 1   1  8  o 360.1424 5.335878 15982.84       413.3276 16330.40       486.8936 15086.26       782.0156 367.3432 5.478476 352.9415 9.158204 14.40173       10.67176 
1 1 1 1   1  9  o 712.8921 10.25205 61296.64       1514.860 60916.84       1737.802 62498.52       3091.416 708.9934 10.13108 716.7908 17.82636 -7.797363      20.50410 
1 1 1 1   1  10 o 473.8824 6.912268 27346.31       689.7303 27458.46       799.4044 27019.63       1364.353 476.1084 6.939983 471.6564 11.95636 4.451965       13.82454 
1 1 1 1   1  11 o 249.2531 3.983315 7472.612       206.0467 7422.372       236.4475 7631.171       420.0533 247.6167 3.946867 250.8894 6.920218 -3.272751      7.966630 
1 1 1 1   1  12 o 209.5512 3.025542 5313.134       153.3041 5181.513       212.5096 5455.960       221.3713 206.8493 4.246412 212.2531 4.310870 -5.403824      6.051084 
1 1 1 1   1  13 o 288.6059 3.874409 10090.07       270.3686 9861.818       374.6029 10338.26       390.6176 285.2078 5.428845 292.0040 5.529180 -6.796204      7.748818 
1 1 1 1   1  14 o 76.90874 2.138728 715.8818       39.77261 682.6262       55.73734 750.3820       56.77081 75.08861 3.068103 78.72887 2.980498 -3.640259      4.277455 
1 1 1 1   1  15 o 124.2180 2.324332 1860.794       69.70324 2012.140       102.5325 1730.749       95.04350 128.8939 3.287961 119.5420 3.286242 9.351898       4.648664 
1 1 1 1   1  16 o 65.14839 2.225414 513.6095       34.92268 582.4714       50.45870 450.2968       48.38291 69.33905 3.007848 60.95773 3.280658 8.381325       4.450827 
1 1 1 1   1  17 o 123.7928 3.281814 1858.870       98.29052 0.000000       0.000000 1858.870       98.29052 ?        ?        123.7928 3.281814 ?              ?        
1 1 1 1   1  18 o 108.6473 3.118536 1433.728       81.97325 0.000000       0.000000 1433.728       81.97325 ?        ?        108.6473 3.118536 ?              ?        
1 1 1 1   3  0  o 342.6342 4.465229 14196.03       369.6916 13755.34       507.7241 14693.32       539.3540 336.9905 6.227415 348.2780 6.400967 -11.28748      8.930457 
1 1 1 1   3  1  o 222.3683 3.140755 5982.699       168.9189 6097.390       242.5605 5874.702       235.3761 224.4358 4.467101 220.3009 4.416150 4.134872       6.281510 
1 1 1 1   3  2  o 267.1923 3.618283 8640.387       233.8417 8782.034       335.2692 8506.202       326.3168 269.3227 5.145392 265.0619 5.088500 4.260742       7.236566 
1 1 1 1   3  3  o 372.3632 4.799226 16796.43       432.3485 16851.03       613.4232 16742.52       609.4623 372.9637 6.798160 371.7627 6.776083 1.201019       9.598452 
1 1 1 1   3  4  o 362.3487 4.683613 15900.59       410.5647 15787.00       576.6432 16017.38       584.6927 361.0378 6.601646 363.6597 6.645539 -2.621948      9.367226 
1 1 1 1   3  5  o 418.9087 5.337080 21250.43       540.8286 21483.98       773.0142 21026.50       756.9335 421.1601 7.586439 416.6572 7.508904 4.502930       10.67416 
1 1 1 1   3  6  o 375.1648 4.831269 17034.02       438.4180 17268.54       628.1125 16811.21       612.2261 377.6804 6.874018 372.6492 6.790618 5.031219       9.662538 
1 1 1 1   3  7  o 333.1596 4.354880 13430.97       350.9662 13290.46       491.2148 13577.49       501.6315 331.3808 6.126914 334.9384 6.190383 -3.557526      8.709760 
1 1 1 1   3  8  o 330.9878 4.988008 13374.93       349.6495 13497.99       406.9568 13027.96       683.3474 333.9788 5.036480 327.9968 8.611318 5.981995       9.976017 
1 1 1 1   3  9  o 152.9110 2.905028 2914.767       94.19386 3013.667       110.4389 2650.803       180.4249 157.8258 2.892291 147.9963 5.038988 9.829483       5.810056 
1 1 1 1   3  10 o 303.0438 4.635242 11267.73       298.8906 11430.57       349.2608 10822.13       577.7458 307.2880 4.697881 298.7996 7.991982 8.488373       9.270483 
1 1 1 1   3  11 o 349.4012 5.211203 15118.69       392.9993 15519.34       464.5794 14110.65       736.9171 357.9283 5.364900 340.8742 8.935569 17.05414       10.42241 
1 1 1 1   3  12 o 263.1946 4.156395 8446.985       230.1480 8497.922       266.7484 8298.632       455.2324 264.8997 4.162153 261.4894 7.195761 3.410248       8.312791 
1 1 1 1   3  13 o 266.9727 4.197126 8797.980       239.2619 8977.861       280.6041 8318.858       457.9578 272.2361 4.260356 261.7092 7.232762 10.52689       8.394253 
1 1 1 1   3  14 o 95.33171 2.749379 1135.940       51.84906 1163.284       58.78981 1040.214       109.9983 98.03551 2.478656 92.62790 4.908421 5.407616       5.498757 
1 1 1 1   3  15 f 65.33492 3.227587 588.3137       38.44236 634.8981       43.22701 412.1357       84.06413 72.42068 2.467120 58.24916 5.965114 14.17152       6.455173 
1 1 1 1   3  16 o 103.5624 2.227728 1299.109       55.79013 1357.246       79.73046 1243.335       78.09333 105.8337 3.113852 101.2911 3.186693 4.542603       4.455456 
1 1 1 1   3  17 o 228.9646 4.609255 6378.085       255.3297 0.000000       0.000000 6378.085       255.3297 ?        ?        228.9646 4.609255 ?              ?        
1 1 1 1   3  18 o 102.2657 3.139644 1270.585       77.68061 0.000000       0.000000 1270.585       77.68061 ?        ?        102.2657 3.139644 ?              ?        
1 1 1 1   3  19 o 134.4981 3.389334 2204.223       110.2892 0.000000       0.000000 2204.223       110.2892 ?        ?        134.4981 3.389334 ?              ?        
1 1 1 1   5  0  o 287.5870 3.854798 10009.39       268.1167 10190.93       385.3636 9839.067       373.2738 290.1112 5.490400 285.0627 5.412335 5.048462       7.709596 
1 1 1 1   5  1  o 346.5114 4.513567 14538.97       378.3065 14727.86       541.9139 14359.42       528.3561 348.7032 6.423505 344.3195 6.342535 4.383759       9.027135 
1 1 1 1   5  2  o 196.7214 2.900929 4682.083       138.0396 4765.167       197.6573 4602.979       192.8658 198.4240 4.117336 195.0187 4.087678 3.405334       5.801859 
1 1 1 1   5  3  o 127.1965 2.287214 1956.552       70.36501 1901.946       98.16563 2014.259       100.9136 125.3722 3.236353 129.0209 3.232863 -3.648666      4.574427 
1 1 1 1   5  4  o 228.3931 4.551936 6313.076       251.5252 0.000000       0.000000 6313.076       251.5252 ?        ?        228.3931 4.551936 ?              ?        
1 1 1 1   5  5  o 256.0746 3.513147 7935.741       217.6518 7916.440       307.1301 7955.212       308.4867 255.7619 4.963455 256.3873 4.973219 -0.6253510     7.026293 
1 1 1 1   5  6  o 378.3645 4.879701 17317.85       446.4660 16994.45       619.6719 17666.95       643.8167 374.6959 6.835660 382.0330 6.965607 -7.337097      9.759402 
1 1 1 1   5  7  o 141.8344 2.425728 2431.000       83.18761 2346.760       115.2451 2522.641       120.2015 139.2721 3.420235 144.3966 3.440729 -5.124527      4.851456 
1 1 1 1   5  8  o 87.56631 2.150277 927.6684       45.55272 940.1823       64.62719 915.3127       64.21732 88.15322 3.030224 86.97941 3.051641 1.173813       4.300554 
1 1 1 1   5  9  o 458.2202 5.808281 25438.46       643.9072 25440.36       909.7297 25436.55       911.5176 458.2381 8.205762 458.2023 8.222529 0.3573608E-01  11.61656 
1 1 1 1   5  10 o 625.1721 7.798163 47486.85       1179.180 46866.52       1645.104 48142.32       1691.071 620.9953 10.94972 629.3489 11.10627 -8.353638      15.59633 
1 1 1 1   5  11 o 115.2117 2.657110 1553.630       61.62703 1512.983       69.47112 1703.748       133.5075 111.8159 2.568021 118.6076 4.652549 -6.791702      5.314221 
1 1 1 1   5  12 o 227.7871 3.757029 6301.306       178.5014 6313.537       205.7814 6264.128       358.7568 228.3463 3.724858 227.2280 6.525833 1.118332       7.514058 
1 1 1 1   5  13 o 134.8386 2.893029 2307.896       81.56798 2424.824       95.41624 1990.482       157.2089 141.5360 2.786462 128.1413 5.070908 13.39465       5.786058 
1 1 1 1   5  14 o 214.8782 3.595701 5805.428       167.3426 6091.138       199.5307 5127.900       307.2632 224.2478 3.677726 205.5086 6.179855 18.73920       7.191403 
1 1 1 1   5  15 o 214.7186 3.617873 5789.207       167.1758 6042.976       198.2571 5164.783       310.9916 223.3157 3.669502 206.1214 6.236247 17.19434       7.235746 
1 1 1 1   5  16 o 184.7709 3.304999 4265.654       129.5334 4403.056       151.8699 3898.870       248.1306 190.5830 3.293710 178.9588 5.730928 11.62415       6.609997 
1 1 1 1   5  17 o 140.0984 3.053952 2408.673       96.71499 2447.854       117.9748 2328.376       168.8876 141.9966 3.434069 138.2003 5.051106 3.796234       6.107905 
1 1 1 1   5  18 o 27.81639 4.737854 119.0331       27.09885 133.5118       29.55590 42.65318       67.88438 33.11362 3.689225 22.51916 8.728038 10.59446       9.475707 
1 1 1 1   5  19 o 22.40045 4.085735 66.17584       23.64737 92.39275       31.76011 33.56133       35.42393 26.98597 5.050169 17.81493 6.424072 9.171034       8.171470 
1 1 1 1   5  20 o 14.18519 5.882972 7.673043       33.11896 0.000000       0.000000 7.673043       33.11896 ?        ?        14.18519 5.882972 ?              ?        
1 1 1 1   5  21 o 18.18872 7.508674 18.66746       53.59566 0.000000       0.000000 18.66746       53.59566 ?        ?        18.18872 7.508674 ?              ?        
1 1 1 1   7  0  o 196.5439 2.919205 4661.781       138.5734 4897.895       203.4015 4457.267       189.3020 201.1740 4.179073 191.9138 4.077057 9.260254       5.838411 
1 1 1 1   7  1  o 308.4480 4.101257 11283.70       301.5873 12880.74       478.6713 10232.41       388.3663 326.1656 6.065923 290.7304 5.521396 35.43527       8.202514 
1 1 1 1   7  2  o 433.2979 5.514404 22729.48       577.8328 22317.79       803.0930 23171.37       832.0332 429.2372 7.733324 437.3586 7.863225 -8.121429      11.02881 
1 1 1 1   7  3  f 626.0930 7.788181 47483.92       1178.753 48666.63       1709.029 46410.77       1627.943 633.5030 11.15061 618.6831 10.87598 14.81989       15.57636 
1 1 1 1   7  4  o 223.6269 3.193152 6042.123       172.5990 6265.374       250.8340 5841.359       237.8656 227.5435 4.556376 219.7103 4.474854 7.833191       6.386304 
1 1 1 1   7  5  o 714.1307 8.841427 61820.74       1527.563 61953.50       2165.370 61689.21       2155.266 714.8921 12.51957 713.3693 12.48775 1.522766       17.68285 
1 1 1 1   7  6  o 1121.125 16.83377 154206.5       4352.109 149791.8       7308.558 156632.0       5417.321 1107.293 27.28140 1134.958 19.72889 -27.66406      33.66755 
1 1 1 1   7  7  o 545.8560 6.833250 36090.96       902.3228 36398.00       1287.347 35794.45       1265.098 548.1342 9.707478 543.5778 9.619672 4.556458       13.66650 
1 1 1 1   7  8  o 437.9883 5.571081 23233.79       590.3361 23151.12       832.4165 23317.44       837.3277 437.2051 7.869609 438.7715 7.887778 -1.566406      11.14216 
1 1 1 1   7  9  o 347.9626 4.543879 14619.29       381.6021 14027.26       518.3211 15319.99       563.8876 340.3046 6.295479 355.6207 6.553952 -15.31607      9.087758 
1 1 1 1   7  10 o 465.4543 5.899897 26295.12       664.3797 26206.53       936.2902 26384.96       942.8942 464.6676 8.328480 466.2410 8.358920 -1.573425      11.79979 
1 1 1 1   7  11 o 222.7073 3.190076 6007.402       171.8844 6026.799       243.2399 5988.056       242.9230 223.0666 4.507107 222.3479 4.515785 0.7186737      6.380151 
1 1 1 1   7  12 o 335.7263 4.411841 13674.42       358.3500 13681.15       506.7964 13667.68       506.7704 335.8091 6.237906 335.6434 6.240665 0.1657410      8.823682 
1 1 1 1   7  13 o 82.19730 2.291161 818.0115       45.55967 821.7795       64.90477 814.3514       63.96765 82.38351 3.256372 82.01109 3.223929 0.3724213      4.582322 
1 1 1 1   7  14 o 283.1795 4.472135 9699.155       262.6936 9659.056       301.6270 9825.104       534.5593 282.2804 4.416591 284.0786 7.777769 -1.798218      8.944269 
1 1 1 1   7  15 o 173.0136 3.240537 3733.034       117.8185 3842.585       137.3389 3427.722       229.2756 178.0931 3.187456 167.9340 5.643088 10.15909       6.481074 
1 1 1 1   7  16 o 184.3428 3.333661 4177.337       128.2753 4223.437       148.3104 4040.452       255.5662 186.6226 3.284771 182.0630 5.802022 4.559631       6.667322 
1 1 1 1   7  17 o 152.5720 3.076794 2905.592       97.40911 2976.247       112.7194 2697.204       193.5814 156.6035 2.975055 148.5405 5.386622 8.063049       6.153588 
1 1 1 1   7  18 o 53.76351 3.407809 312.1920       34.59291 290.0748       37.83279 424.9851       85.43672 48.83218 3.202285 58.69484 6.016479 -9.862656      6.815618 
1 1 1 1   7  19 o 128.7334 3.119805 2018.919       88.30208 1997.606       104.7123 2071.386       164.2921 127.9516 3.382593 129.5152 5.243166 -1.563675      6.239610 
1 1 1 1   7  20 o 59.69302 3.556017 351.9764       42.24995 294.5859       46.51098 622.8436       101.0447 48.94517 3.927745 70.44086 5.929068 -21.49569      7.112034 
1 1 1 1   9  0  o 166.4408 2.684294 3348.789       108.0409 3466.770       155.6198 3239.007       150.1148 169.2682 3.800031 163.6134 3.792295 5.654724       5.368588 
1 1 1 1   9  1  o 421.2635 5.380332 21483.52       548.2913 21699.89       782.9026 21275.24       768.1108 423.3431 7.643862 419.1840 7.573853 4.159149       10.76066 
1 1 1 1   9  2  o 291.8264 5.561224 10306.64       392.6425 10306.64       392.6425 0.000000       0.000000 291.8264 5.561224 ?        ?        ?              ?        
1 1 1 1   9  3  o 156.7884 2.622027 2971.880       99.42024 3064.048       143.0757 2885.822       138.2513 159.1371 3.716140 154.4397 3.700055 4.697464       5.244054 
1 1 1 1   9  4  o 466.3721 5.904998 26328.59       666.1501 26027.07       931.1997 26644.62       953.3477 463.6406 8.301549 469.1037 8.400017 -5.463104      11.81000 
1 1 1 1   9  5  o 1215.625 14.94486 179871.8       4395.103 180973.6       6255.802 178797.7       6176.191 1219.276 21.20698 1211.975 21.06322 7.300537       29.88971 
1 1 1 1   9  6  o 424.3102 5.424989 21798.80       556.8961 21912.24       790.9538 21687.27       784.2292 425.4043 7.685053 423.2162 7.659112 2.188080       10.84998 
1 1 1 1   9  7  o 481.2796 6.083904 28052.83       708.2151 27678.52       987.8668 28448.65       1015.854 477.9827 8.542479 484.5764 8.664965 -6.593689      12.16781 
1 1 1 1   9  8  o 313.5608 4.169110 11905.81       316.2520 11814.41       443.8975 12000.01       450.6753 312.3401 5.874252 314.7814 5.917693 -2.441223      8.338221 
1 1 1 1   9  9  o 362.5402 4.714046 15897.51       412.7898 15362.76       564.4313 16512.40       605.2499 356.0129 6.553044 369.0676 6.778389 -13.05472      9.428093 
1 1 1 1   9  10 o 157.4885 2.609752 3002.077       99.42207 2966.861       139.1190 3038.839       142.1377 156.5453 3.673195 158.4317 3.708215 -1.886368      5.219504 
1 1 1 1   9  11 o 42.04610 3.270517 215.1455       33.06859 241.2729       46.62686 188.7039       46.90649 44.63017 4.318225 39.46204 4.913049 5.168133       6.541033 
1 1 1 1   9  12 o 310.9835 4.146433 11720.46       311.7431 12034.17       451.4792 11434.60       430.9775 314.9472 5.925128 307.0197 5.802112 7.927490       8.292867 
1 1 1 1   9  13 o 153.1062 2.625526 2838.001       97.22894 2916.403       139.3670 2763.658       135.7108 155.1653 3.712472 151.0472 3.713638 4.118042       5.251053 
1 1 1 1   9  14 o 193.4065 2.952268 4530.911       138.0752 4663.475       199.1163 4408.122       191.6342 196.1269 4.196307 190.6860 4.153859 5.440857       5.904535 
1 1 1 1   9  15 o 24.20215 4.763196 71.74488       29.80540 99.38644       43.30074 46.85547       41.08860 27.99739 6.514966 20.40692 6.950348 7.590469       9.526391 
1 1 1 1   9  16 o 194.7548 3.469280 4735.129       143.2693 4868.096       167.7807 4377.157       275.2939 200.2629 3.462893 189.2466 6.012652 11.01631       6.938560 
1 1 1 1   9  17 o 67.74754 3.293634 527.6136       42.49016 508.4586       46.88842 615.5860       100.4839 64.70252 2.995312 70.79256 5.866874 -6.090034      6.587269 
1 1 1 1   9  18 o 62.06276 3.643665 467.4019       42.11420 463.8030       46.48658 483.8786       99.46685 61.73101 3.112590 62.39450 6.589155 -0.6634979     7.287330 
1 1 1 1   9  19 o 58.98330 4.451603 487.4716       44.20473 513.1234       48.51495 362.0464       107.2776 64.85786 3.091794 53.10873 8.349126 11.74913       8.903207 
1 1 1 1   9  20 o 78.59308 3.478193 762.8610       50.40198 759.2980       55.56131 779.4171       119.7693 78.81616 2.913768 78.37000 6.316744 0.4461670      6.956386 
1 1 1 1   11 0  o 170.4226 2.789278 3511.750       114.9542 3590.323       165.6360 3438.738       159.6679 172.2601 3.974364 168.5850 3.914680 3.675125       5.578556 
1 1 1 1   11 1  o 691.1808 8.578344 57905.03       1434.483 57924.54       2031.893 57885.64       2025.454 691.2950 12.14885 691.0667 12.11435 0.2282715      17.15669 
1 1 1 1   11 2  o 482.8698 6.104684 28214.04       712.7718 27653.62       988.1688 28821.85       1029.100 477.8801 8.546925 487.8596 8.718872 -9.979462      12.20937 
1 1 1 1   11 3  o 369.1212 4.795338 16452.20       427.4457 17138.82       628.1315 15860.00       583.3487 376.2718 6.899960 361.9706 6.661203 14.30127       9.590676 
1 1 1 1   11 4  o 432.6378 5.519576 22664.53       577.7397 22665.47       817.4478 22663.60       816.6475 432.6465 7.809523 432.6291 7.802193 0.1742554E-01  11.03915 
1 1 1 1   11 5  o 465.8229 5.915791 26199.17       664.9990 27410.11       983.7545 25180.22       902.4040 475.6897 8.547924 455.9560 8.180423 19.73373       11.83158 
1 1 1 1   11 6  o 625.2396 9.513000 47877.08       1374.650 46246.28       2294.629 48789.98       1716.822 616.4229 15.38620 634.0565 11.19167 -17.63361      19.02600 
1 1 1 1   11 7  o 208.9525 3.774080 5318.326       181.0821 5387.908       224.0897 5187.389       307.4011 210.9692 4.390363 206.9358 6.139987 4.033432       7.548160 
1 1 1 1   11 8  o 283.1036 4.741570 9550.139       299.7649 9295.334       358.0312 10147.53       548.2104 277.0093 5.342249 289.1978 7.835197 -12.18851      9.483140 
1 1 1 1   11 9  o 248.9743 3.481513 7505.248       209.6445 7674.345       301.2218 7346.390       291.9594 251.6910 4.946711 246.2577 4.900387 5.433258       6.963027 
1 1 1 1   11 10 o 203.0779 3.028571 4982.560       148.5777 5229.188       217.5184 4766.845       203.4295 207.7741 4.327154 198.3817 4.238479 9.392426       6.057142 
1 1 1 1   11 11 o 349.1017 4.576622 14791.02       386.5013 14935.30       551.6055 14651.85       541.7194 350.7689 6.499877 347.4346 6.444645 3.334351       9.153243 
1 1 1 1   11 12 o 254.8490 3.557232 7868.882       219.2050 8072.235       316.5901 7681.616       303.8101 258.0039 5.071877 251.6941 4.989153 6.309830       7.114464 
1 1 1 1   11 13 o 203.2948 3.069890 5009.442       150.9724 5081.559       215.5907 4940.047       211.4830 204.7290 4.352595 201.8605 4.330338 2.868484       6.139781 
1 1 1 1   11 14 o 260.9710 3.633153 8272.814       229.3511 8398.369       328.1644 8152.931       320.6685 262.9013 5.159368 259.0407 5.116652 3.860596       7.266306 
1 1 1 1   11 15 o 164.5782 3.906814 3288.721       155.5598 3288.721       155.5598 0.000000       0.000000 164.5782 3.906814 ?        ?        ?              ?        
1 1 1 1   11 16 o 15.93974 4.729237 3.875956       30.14260 14.65153       48.39360 -2.954430      38.52924 17.58716 7.183000 14.29232 6.153637 3.294845       9.458474 
1 1 1 1   11 17 o 60.92074 3.673170 441.9422       44.29084 432.0883       49.68547 480.0714       97.73575 59.56900 3.447520 62.27247 6.487166 -2.703468      7.346341 
1 1 1 1   11 18 o 30.32307 5.994620 103.7093       38.40589 91.42024       42.75786 155.0268       87.37553 26.54210 6.667294 34.10405 9.964390 -7.561943      11.98924 
1 1 1 1   11 19 o 53.32478 4.381134 329.6397       44.34062 313.4162       48.82045 406.0678       105.9632 50.47861 3.997534 56.17094 7.797246 -5.692329      8.762267 
1 1 1 1   11 20 o 22.78606 6.364677 11.55952       39.77839 -9.540124      43.02496 135.7525       104.3834 14.25095 6.308914 31.32118 11.05595 -17.07023      12.72935 
1 1 1 1   13 0  o 407.8191 5.252601 20062.43       516.7336 21107.14       767.1028 19194.60       699.1574 417.4918 7.594573 398.1464 7.258216 19.34540       10.50520 
1 1 1 1   13 2  o 255.3966 3.586926 7887.967       221.5172 8089.799       319.7289 7701.652       307.1924 258.5348 5.111642 252.2583 5.033415 6.276489       7.173852 
1 1 1 1   13 3  o 111.7422 2.584514 1510.819       69.86631 1502.278       98.11987 1519.603       99.50651 111.4221 3.639850 112.0624 3.670196 -0.6403275     5.169028 
1 1 1 1   13 4  o 168.6101 2.818766 3439.402       114.9523 3391.396       160.2479 3490.292       164.9899 167.3990 3.956736 169.8211 4.015721 -2.422058      5.637533 
1 1 1 1   13 5  f 300.7346 4.056206 10936.55       294.7817 10612.02       405.2068 11301.38       429.6334 296.0082 5.658100 305.4610 5.813529 -9.452850      8.112411 
1 1 1 1   13 6  o 205.5285 3.082732 5113.952       153.2814 5171.465       218.0160 5057.732       215.5502 206.6711 4.360199 204.3859 4.359083 2.285202       6.165463 
1 1 1 1   13 7  o 318.3371 4.239466 12281.15       326.4813 12157.19       457.8199 12409.41       465.7097 316.7051 5.974991 319.9691 6.015959 -3.264008      8.478932 
1 1 1 1   13 8  o 204.3296 3.760274 4943.653       171.7083 5361.095       315.0376 4767.235       204.8025 210.2589 6.193066 198.4004 4.266684 11.85851       7.520549 
1 1 1 1   13 9  o 190.3872 2.950696 4390.222       135.9087 4445.874       192.8712 4335.333       191.5435 191.5863 4.161029 189.1881 4.184766 2.398163       5.901392 
1 1 1 1   13 10 o 169.6106 2.790442 3483.254       114.4768 3538.544       164.1658 3430.921       159.7152 170.9189 3.969997 168.3022 3.922420 2.616638       5.580884 
1 1 1 1   13 11 o 137.9241 2.630539 2298.001       87.65627 2433.038       128.0670 2178.979       120.2329 141.7251 3.734979 134.1231 3.705250 7.602005       5.261079 
1 1 1 1   13 12 f 91.01641 2.692234 1002.768       59.22631 1067.118       85.13374 942.4133       82.44813 93.84554 3.749607 88.18729 3.864315 5.658249       5.384467 
1 1 1 1   13 13 o 89.02692 2.710988 960.6324       58.32106 1027.318       83.45548 896.9809       81.53492 92.05009 3.747386 86.00376 3.918536 6.046326       5.421976 
1 1 1 1   13 14 o 288.2257 3.942545 10114.05       274.7819 10341.59       396.4070 9903.599       381.2373 291.3259 5.624189 285.1255 5.526587 6.200378       7.885091 
1 1 1 1   13 15 o 96.78468 2.593555 1134.302       60.57744 1253.453       88.44583 1029.020       83.13909 101.5630 3.599479 92.00641 3.734951 9.556549       5.187110 
1 1 1 1   13 16 o 88.95419 2.633702 954.7048       56.39185 1061.776       85.10924 870.9134       75.29059 93.34991 3.768430 84.55848 3.680283 8.791428       5.267405 
1 1 1 1   13 17 o 21.93612 5.572987 48.35741       37.44888 73.73088       59.45615 31.67169       48.21470 24.75583 8.361076 19.11640 7.370560 5.639433       11.14597 
1 1 1 1   13 18 o 21.32290 5.467150 48.85066       35.35262 56.77625       58.33018 44.24904       44.44603 22.62836 8.230567 20.01744 7.198381 2.610928       10.93430 
1 1 1 1   13 19 o 89.09895 3.577283 1007.441       63.76826 1020.485       72.54707 963.1172       133.7318 91.21216 3.287493 86.98573 6.354542 4.226425       7.154566 
1 1 1 1   13 20 o 31.71861 7.369670 111.9023       69.98891 27.47174       87.00224 266.7460       117.8223 21.98015 9.349532 41.45707 11.39449 -19.47693      14.73934 
1 1 1 1   15 0  o 65.16349 4.683549 514.1140       73.83831 0.000000       0.000000 514.1140       73.83831 ?        ?        65.16349 4.683549 ?              ?        
1 1 1 1   15 1  o 104.9310 3.693771 1332.667       93.77268 1332.667       93.77268 0.000000       0.000000 104.9310 3.693771 ?        ?        ?              ?        
1 1 1 1   15 2  o 211.1316 3.174098 5393.825       162.0525 5301.333       224.9303 5493.646       233.6734 209.2526 4.442985 213.0105 4.534255 -3.757889      6.348196 
1 1 1 1   15 3  o 292.1008 5.627242 10336.77       397.6771 0.000000       0.000000 10336.77       397.6771 ?        ?        292.1008 5.627242 ?              ?        
1 1 1 1   15 4  o 289.9453 3.949459 10127.10       275.9338 9565.127       370.5565 10826.57       413.4098 280.9797 5.451013 298.9109 5.716586 -17.93121      7.898918 
1 1 1 1   15 5  o 226.4872 3.321136 6213.092       181.9828 6235.017       257.8849 6191.344       256.8433 226.8852 4.698048 226.0893 4.695544 0.7958527      6.642273 
1 1 1 1   15 6  o 414.7552 5.341442 20885.43       535.9730 20789.85       754.9073 20982.57       761.0910 413.8011 7.540491 415.7093 7.567363 -1.908112      10.68288 
1 1 1 1   15 7  o 214.7304 3.193370 5585.748       165.8961 5624.461       235.5210 5547.626       233.7144 215.4687 4.517967 213.9922 4.514247 1.476547       6.386740 
1 1 1 1   15 8  o 137.3500 2.650876 2283.522       88.05762 2370.384       125.9506 2200.466       123.1608 139.9050 3.721044 134.7950 3.776559 5.109940       5.301751 
1 1 1 1   15 9  o 212.6761 3.177291 5481.335       163.4840 5499.706       231.0686 5462.922       231.3341 213.0338 4.483221 212.3185 4.503493 0.7153168      6.354583 
1 1 1 1   15 10 o 256.2908 3.607470 7959.800       223.5569 8164.564       322.9166 7771.327       309.8051 259.4478 5.144440 253.1339 5.058666 6.313934       7.214941 
1 1 1 1   15 11 o 86.31248 2.921566 899.1588       60.83513 999.6876       89.11272 811.4149       83.25357 90.81427 4.055863 81.81070 4.206205 9.003571       5.843132 
1 1 1 1   15 12 o 28.38237 5.443490 95.49051       42.12542 162.3928       61.01376 34.54922       58.23221 35.84176 7.284488 20.92298 8.090894 14.91878       10.88698 
1 1 1 1   15 13 o 89.87572 2.793930 979.6245       60.71347 1011.574       87.79291 950.3393       84.05279 91.27663 3.975553 88.47482 3.926722 2.801811       5.587859 
1 1 1 1   15 14 o 119.2529 2.681626 1716.922       77.09277 1883.951       114.9997 1580.593       103.8953 124.4798 3.818522 114.0261 3.766080 10.45375       5.363252 
1 1 1 1   15 15 o 122.1882 2.666251 1816.092       78.75530 1915.836       113.7718 1724.325       109.1270 125.4094 3.749751 118.9670 3.791431 6.442322       5.332502 
1 1 1 1   15 16 f 32.52888 5.488477 134.6786       42.16132 162.2255       66.15421 115.8366       54.71232 35.23835 7.948862 29.81942 7.570277 5.418930       10.97695 
1 1 1 1   15 17 o 87.16323 2.866156 918.2111       59.91897 1045.284       92.45578 826.1885       78.67821 92.25523 4.142292 82.07124 3.962426 10.18399       5.732313 
1 1 1 1   15 18 o 100.5987 2.791071 1235.303       67.60571 1392.055       101.5012 1110.314       90.63644 106.2799 3.947463 94.91763 3.946877 11.36224       5.582141 
1 1 1 1   15 19 f 51.71496 4.195426 345.9328       50.97675 325.3982       80.79530 359.5135       65.70575 50.04865 6.672543 53.38127 5.087591 -3.332619      8.390853 
1 1 1 1   15 20 o 26.49136 7.550359 44.07777       76.38025 -38.00119      94.13341 202.2606       130.6795 18.79193 8.707832 34.19078 12.33715 -15.39885      15.10072 
1 1 1 1   17 0  o 65.31661 3.372025 513.1349       51.83723 364.9051       69.83455 695.0302       77.35944 54.87577 5.260020 75.75745 4.220712 -20.88167      6.744051 
1 1 1 1   17 1  o 28.40332 5.841049 99.40822       44.00361 131.4393       60.68144 63.88404       63.90459 32.26060 7.849380 24.54603 8.652089 7.714569       11.68210 
1 1 1 1   17 2  o 363.9327 4.770062 16038.63       419.4168 15519.10       575.0806 16628.97       613.0259 357.6644 6.645853 370.2010 6.844457 -12.53656      9.540124 
1 1 1 1   17 3  o 321.6052 4.302354 12527.94       334.4723 12900.01       485.3789 12191.51       461.5506 326.1377 6.151451 317.0727 6.016697 9.064972       8.604708 
1 1 1 1   17 4  o 327.1638 4.369813 12979.67       345.8009 12815.20       482.7096 13153.06       495.6184 325.0414 6.138256 329.2862 6.221163 -4.244781      8.739626 
1 1 1 1   17 5  o 63.07299 3.568484 489.6060       53.53868 574.9392       74.31686 397.5342       77.19543 68.88811 4.459034 57.25787 5.572552 11.63025       7.136969 
1 1 1 1   17 6  o 27.82151 6.073077 92.81913       45.90775 66.25328       65.42870 118.5798       64.42955 24.90494 8.757045 30.73807 8.416841 -5.833126      12.14615 
1 1 1 1   17 7  o 293.7508 4.005560 10464.88       284.6187 10312.04       397.8342 10625.12       407.3579 291.5580 5.639945 295.9435 5.689382 -4.385529      8.011120 
1 1 1 1   17 8  o 79.69388 3.065965 769.0809       59.09011 746.0320       82.17614 793.7578       85.02892 78.45876 4.329144 80.92900 4.342703 -2.470245      6.131929 
1 1 1 1   17 9  o 54.85934 3.810963 366.9060       49.88698 445.6528       71.65601 292.8366       69.49529 60.61349 4.886310 49.10519 5.849593 11.50830       7.621927 
1 1 1 1   17 10 o 288.6270 3.972266 10107.96       277.0995 10446.54       403.1087 9804.641       381.5363 293.1873 5.682962 284.0668 5.551534 9.120422       7.944532 
1 1 1 1   17 11 o 173.7166 2.928283 3661.794       123.0571 3726.488       175.5748 3599.329       172.5234 175.2243 4.141576 172.2088 4.140858 3.015427       5.856565 
1 1 1 1   17 12 o 70.16525 3.143092 598.2563       53.18977 603.2659       78.52238 594.0086       72.30506 70.42298 4.608682 69.90753 4.275062 0.5154495      6.286184 
1 1 1 1   17 13 o 118.7080 2.780346 1707.283       79.63422 1811.617       118.0584 1620.180       107.8696 122.0097 3.999449 115.4063 3.863379 6.603348       5.560692 
1 1 1 1   17 14 o 76.09410 3.140418 706.4915       57.76239 733.1858       83.90884 682.4470       79.63532 77.45185 4.477892 74.73636 4.404245 2.715492       6.280836 
1 1 1 1   17 15 o 110.8785 2.774675 1489.299       74.08382 1695.283       110.5748 1321.526       99.79343 117.7861 3.880252 103.9709 3.967232 13.81516       5.549350 
1 1 1 1   17 16 o 41.58281 5.239310 224.9475       50.89930 202.6870       75.66747 243.3443       68.78825 39.12135 8.254054 44.04426 6.455392 -4.922905      10.47862 
1 1 1 1   17 17 o 26.78223 6.310976 92.38787       50.16436 49.68349       77.00191 123.8761       66.12099 23.33077 9.220609 30.23369 8.619398 -6.902918      12.62195 
1 1 1 1   17 18 o 29.68445 5.592588 79.13704       51.51336 253.7315       83.29429 -29.00360      65.55328 42.95277 8.315848 16.41614 7.480297 26.53662       11.18518 
1 1 1 1   17 19 o 31.94380 6.521670 144.8802       52.67173 197.3554       85.03635 112.2155       67.09145 36.11985 9.575713 27.76776 8.856323 8.352093       13.04334 
1 1 1 1   19 0  o 187.8645 3.072215 4270.255       139.5430 4099.346       193.2844 4456.316       201.6699 183.9437 4.343197 191.7852 4.346339 -7.841537      6.144430 
1 1 1 1   19 1  o 178.0279 2.984319 3837.531       128.4982 3921.696       184.5998 3758.415       178.9784 179.9193 4.240834 176.1365 4.199996 3.782822       5.968638 
1 1 1 1   19 2  o 237.4042 3.478611 6831.395       199.7897 6867.971       284.3056 6795.711       280.8172 238.0302 4.936862 236.7782 4.902073 1.252090       6.957221 
1 1 1 1   19 3  o 235.4607 3.450534 6716.417       196.4842 6582.773       273.1238 6859.774       282.8738 233.0379 4.844295 237.8834 4.915031 -4.845459      6.901067 
1 1 1 1   19 4  o 157.0207 2.862950 2985.462       108.7221 2931.339       151.3116 3043.230       156.3233 155.5518 4.020636 158.4895 4.076814 -2.937683      5.725900 
1 1 1 1   19 5  o 354.0955 4.680846 15214.83       400.6736 14829.15       553.2074 15640.37       581.0967 349.3979 6.544332 358.7931 6.694251 -9.395172      9.361692 
1 1 1 1   19 6  f 80.71797 3.273659 789.2848       63.89422 827.1900       91.71839 753.5447       89.06036 82.60086 4.589544 78.83508 4.669416 3.765785       6.547318 
1 1 1 1   19 7  o 96.21503 2.986319 1121.306       69.45486 1143.664       100.7227 1101.037       95.90246 97.12557 4.286389 95.30450 4.159240 1.821075       5.972639 
1 1 1 1   19 8  o 221.6751 3.332872 5963.120       178.7401 6029.760       253.9178 5897.664       251.6508 222.9034 4.708408 220.4468 4.718372 2.456635       6.665744 
1 1 1 1   19 9  o 122.0622 2.851983 1809.182       84.12231 1911.751       119.0033 1706.739       118.9306 125.5332 3.918303 118.5913 4.145133 6.941948       5.703966 
1 1 1 1   19 10 o 270.5352 3.803194 8859.347       247.8449 9483.378       372.1952 8362.183       332.2135 278.9956 5.514056 262.0749 5.239496 16.92068       7.606388 
1 1 1 1   19 11 o 69.00868 3.537048 578.5471       58.91949 635.3266       86.09186 528.5229       80.80839 72.18969 4.929292 65.82767 5.073943 6.362015       7.074095 
1 1 1 1   19 12 o 96.81989 2.947759 1137.461       68.87379 1215.654       101.9400 1071.790       93.42111 99.85860 4.219458 93.78116 4.117438 6.077446       5.895517 
1 1 1 1   19 13 o 85.71239 3.145549 888.2079       64.82993 1001.562       98.46944 801.4811       86.13110 90.47199 4.498679 80.95278 4.397703 9.519211       6.291098 
1 1 1 1   19 14 o 32.10823 6.568370 136.4548       54.13898 120.9428       79.92386 149.6076       73.59524 30.60187 9.656310 33.61460 8.906717 -3.012728      13.13674 
1 1 1 1   19 15 o 59.40195 4.089663 436.8989       58.49529 473.9541       88.13260 407.7223       78.20415 61.59525 5.914079 57.20866 5.650226 4.386589       8.179326 
1 1 1 1   19 16 o 49.58379 4.593561 309.2619       54.61800 372.5695       81.61168 257.9056       73.50573 54.23075 6.220200 44.93682 6.761088 9.293938       9.187121 
1 1 1 1   19 17 o 42.34433 5.550549 241.7294       55.59975 263.1697       79.09156 220.7824       78.17626 44.74504 7.306054 39.94361 8.357986 4.801434       11.10110 
1 1 1 1   19 18 o 28.26801 6.576363 103.3724       58.15793 193.4538       85.78436 26.75286       79.11530 35.67607 9.688482 20.85994 8.895364 14.81613       13.15273 
1 1 1 1   19 19 o 43.81938 9.030580 390.2444       102.1949 400.8329       123.3293 367.0434       182.5594 48.61045 10.77004 39.02831 14.49868 9.582142       18.06116 
1 1 1 1   21 0  o 149.7734 2.949358 2716.867       106.8313 2650.816       148.5962 2787.531       153.6974 147.8917 4.152996 151.6550 4.188972 -3.763336      5.898717 
1 1 1 1   21 1  o 189.6743 3.116362 4361.395       143.0030 4357.866       202.9951 4364.873       201.4870 189.5965 4.425404 189.7522 4.388923 -0.1557465     6.232724 
1 1 1 1   21 2  o 70.46924 3.716658 604.2736       63.13599 660.6157       89.02792 547.2687       89.54991 73.79402 4.986579 67.14446 5.512551 6.649559       7.433316 
1 1 1 1   21 3  o 165.7649 2.969853 3330.862       119.0967 3386.710       169.0816 3275.868       167.7821 167.1454 4.181188 164.3843 4.218742 2.761108       5.939706 
1 1 1 1   21 4  o 226.6889 3.385887 6234.993       185.6966 6238.818       262.9481 6231.187       262.2824 226.7576 4.792982 226.6202 4.783748 0.1373901      6.771774 
1 1 1 1   21 5  f 128.2913 2.875665 1992.855       89.18874 1908.142       123.3830 2085.562       129.0731 125.4403 4.065518 131.1423 4.068091 -5.701942      5.751331 
1 1 1 1   21 6  o 243.8089 3.563254 7211.941       209.9669 7456.205       305.5079 6993.285       289.0511 247.7026 5.097879 239.9151 4.979833 7.787506       7.126507 
1 1 1 1   21 7  o 338.6487 5.566566 14160.20       434.5472 14423.73       541.2646 13682.33       728.8631 343.7971 6.507364 333.5004 9.033318 10.29669       11.13313 
1 1 1 1   21 8  o 175.9363 2.998290 3750.418       127.4079 3950.506       186.9532 3576.903       174.0970 180.2965 4.285912 171.5761 4.194035 8.720352       5.996580 
1 1 1 1   21 9  o 205.9857 3.213979 5156.817       159.9871 5383.509       233.1792 4955.184       219.9150 210.2426 4.584233 201.7287 4.505933 8.513916       6.427957 
1 1 1 1   21 10 o 112.1578 2.993309 1524.341       80.94074 1712.296       119.2721 1363.890       110.2004 118.5443 4.158683 105.7713 4.306386 12.77304       5.986619 
1 1 1 1   21 11 o 99.45618 3.084382 1191.719       73.66030 1356.050       112.8605 1069.772       97.22273 105.3300 4.428814 93.58237 4.294094 11.74761       6.168763 
1 1 1 1   21 12 o 85.86534 3.227557 893.3463       66.47304 1076.600       99.64235 746.3866       89.23112 93.74912 4.393134 77.98155 4.729576 15.76757       6.455115 
1 1 1 1   21 13 o 47.75220 5.024273 282.6135       55.61579 373.9346       86.14285 217.3405       72.82829 54.66114 6.513858 40.84326 7.651335 13.81787       10.04855 
1 1 1 1   21 14 o 78.64347 3.507368 755.4324       65.87419 840.0574       103.5748 697.9492       85.36419 82.18395 5.209126 75.10299 4.698034 7.080963       7.014736 
1 1 1 1   21 15 o 86.85712 3.443073 946.9088       71.88208 858.3877       104.0676 1027.677       99.40582 82.76720 5.197024 90.94704 4.517737 -8.179840      6.886146 
1 1 1 1   21 16 o 19.55097 6.106368 -13.42957      58.99773 -67.04503      86.92834 32.35799       80.33229 17.30429 8.132417 21.79766 9.111240 -4.493366      12.21274 
1 1 1 1   21 17 o 25.97877 7.150507 90.67574       64.61873 95.03759       92.92120 86.59092       89.92195 26.34804 10.21164 25.60950 10.01206 0.7385368      14.30101 
1 1 1 1   23 0  o 106.6881 3.051055 1379.895       78.65816 1479.173       113.4304 1287.933       109.1708 110.3852 4.247330 102.9910 4.381317 7.394196       6.102110 
1 1 1 1   23 1  o 76.78256 3.603235 718.4711       66.77066 766.8589       93.68044 668.5073       95.19368 79.43291 4.874681 74.13220 5.307609 5.300713       7.206471 
1 1 1 1   23 2  o 233.2409 3.469715 6607.559       195.6888 6793.333       282.4929 6436.169       271.3356 236.3823 4.939584 230.0996 4.874034 6.282669       6.939431 
1 1 1 1   23 3  o 104.7448 2.988003 1332.483       75.70153 1371.507       107.3477 1293.878       106.7709 106.2753 4.175015 103.2143 4.275734 3.061081       5.976007 
1 1 1 1   23 4  o 95.07971 3.084039 1097.114       70.89442 1138.960       102.5851 1058.858       98.08586 96.81113 4.379825 93.34830 4.343079 3.462830       6.168079 
1 1 1 1   23 5  o 114.1560 2.919550 1584.680       80.58685 1535.875       114.5993 1632.422       113.3451 112.4052 4.213986 115.9068 4.041956 -3.501579      5.839100 
1 1 1 1   23 6  o 160.7511 2.974010 3124.161       115.2937 3412.717       171.4487 2885.950       155.7757 167.4793 4.231271 154.0229 4.180344 13.45641       5.948020 
1 1 1 1   23 7  o 122.3010 2.974691 1815.827       87.84438 1916.358       129.3060 1729.665       119.7096 125.4234 4.261260 119.1786 4.151724 6.244781       5.949382 
1 1 1 1   23 8  o 60.50829 4.063348 447.9433       59.34357 475.5720       87.69225 424.6006       80.60406 62.20992 5.826386 58.80665 5.665369 3.403271       8.126696 
1 1 1 1   23 9  o 101.8462 3.068395 1255.054       75.22128 1422.742       113.0954 1122.023       100.7326 107.8866 4.332864 95.80585 4.345858 12.08077       6.136790 
1 1 1 1   23 10 o 72.22087 3.751934 644.9345       65.31176 688.9360       90.86313 597.8990       93.94343 74.84814 5.017696 69.59360 5.579494 5.254539       7.503868 
1 1 1 1   23 11 o 19.06516 6.008270 -33.44699      57.64235 10.91410       82.10081 -76.57166      80.94858 21.41116 9.094339 16.71916 7.854312 4.691999       12.01654 
1 1 1 1   23 12 o 60.35348 4.321772 453.6090       62.57447 542.0328       92.28957 378.3712       85.13066 65.87000 5.791121 54.83696 6.416679 11.03304       8.643544 
1 1 1 1   23 13 o 82.99884 3.599525 852.6815       71.99467 953.4958       107.3317 770.2205       97.07137 87.43194 5.074061 78.56575 5.106880 8.866188       7.199049 
1 1 1 1   23 14 o 58.65563 4.521380 438.0617       63.43745 536.8033       94.13426 355.9094       85.86333 64.86438 5.998452 52.44688 6.766838 12.41750       9.042761 
1 1 1 1   23 15 o 22.34382 6.644468 34.85117       60.48116 20.64701       79.97684 53.82569       92.43617 20.77437 8.903361 23.91328 9.865394 -3.138908      13.28894 
1 1 1 1   23 16 o 59.49827 5.148150 495.9789       72.63890 557.3857       98.90569 424.0719       107.0283 64.45457 6.342571 54.54197 8.110832 9.912598       10.29630 
1 1 1 1   25 0  o 26.92376 6.047105 60.86674       54.39655 -41.63044      76.22202 167.2531       77.65466 17.90306 8.122301 35.94445 8.960924 -18.04140      12.09421 
1 1 1 1   25 1  o 42.86542 5.958526 236.0036       59.53666 230.1777       85.93421 241.3814       82.56209 42.27916 8.691527 43.45169 8.153126 -1.172531      11.91705 
1 1 1 1   25 2  o 115.0177 2.980273 1610.698       82.88918 1645.830       119.5808 1578.206       114.9994 116.2166 4.252957 113.8188 4.176180 2.397774       5.960547 
1 1 1 1   25 3  o 106.6019 3.008808 1380.843       77.46175 1494.938       113.1240 1280.116       106.2900 110.7406 4.222264 102.4632 4.287679 8.277374       6.017617 
1 1 1 1   25 4  o 91.26343 3.199079 1012.823       70.47372 1107.673       103.4364 930.6481       96.27795 95.24068 4.488990 87.28616 4.559100 7.954521       6.398158 
1 1 1 1   25 5  o 70.25402 3.874108 597.4053       65.31933 680.6420       100.4164 536.3517       86.00088 74.41404 5.577600 66.09400 5.378219 8.320038       7.748217 
1 1 1 1   25 6  o 103.8453 3.106601 1276.771       76.67149 1665.386       120.5586 1012.849       99.35208 116.7209 4.269210 90.96968 4.514171 25.75120       6.213203 
1 1 1 1   25 7  o 100.6831 3.284281 1224.907       79.39708 1413.191       121.4709 1084.464       104.9096 107.3278 4.677975 94.03842 4.611134 13.28938       6.568562 
1 1 1 1   25 8  o 29.48326 7.114490 98.34787       64.64911 161.7054       92.67252 38.28391       90.23162 34.81441 10.28775 24.15212 9.829855 10.66229       14.22898 
1 1 1 1   25 9  o 45.59261 5.988613 273.9466       63.62525 276.3564       90.18228 271.5583       89.77847 45.80579 8.448917 45.37943 8.489390 0.4263611      11.97723 
1 1 1 1   25 10 f 32.22998 7.069082 136.7038       63.37955 191.0834       90.58152 84.54556       88.71215 37.25330 9.886238 27.20667 10.10693 10.04663       14.13816 
1 1 1 1   25 11 o 66.30851 4.509074 562.1141       71.64244 483.4658       102.3467 637.6771       100.3191 61.46991 6.881908 71.14710 5.828063 -9.677189      9.018147 
1 1 1 1   25 12 o 55.02880 5.793732 408.4232       70.89735 250.2967       96.48347 594.0134       104.5269 41.98304 9.694846 68.07457 6.346595 -26.09153      11.58746 
1 1 1 1   25 13 o 35.72599 6.927976 188.5311       61.69946 193.9538       87.00751 183.0460       87.50706 36.29150 9.716295 35.16048 9.878311 1.131020       13.85595 
1 1 1 1   25 14 o 36.66780 7.080858 205.9184       67.22552 135.7099       91.07578 289.9572       99.64333 29.63829 10.33679 43.69732 9.680138 -14.05904      14.16172 
1 1 1 1   25 15 o 53.99655 6.105876 441.3841       76.67421 371.3749       108.7281 510.6400       108.1417 48.24745 9.651690 59.74565 7.481429 -11.49820      12.21175 
1 1 1 1   27 0  o 94.72328 3.374675 1096.837       77.10116 1224.148       112.9882 985.8958       105.4742 99.87218 4.676127 89.57438 4.866986 10.29781       6.749349 
1 1 1 1   27 1  o 95.56461 3.362137 1113.335       77.44779 1229.799       115.5299 1018.278       104.3733 100.0652 4.772093 91.06400 4.737403 9.001228       6.724274 
1 1 1 1   27 2  o 52.46382 5.021745 345.1456       63.32710 338.9124       94.54269 350.2180       85.28687 51.92488 7.525756 53.00275 6.650916 -1.077869      10.04349 
1 1 1 1   27 3  o 110.5652 3.106136 1487.375       82.75253 1665.643       123.4531 1341.918       111.5149 116.5379 4.378570 104.5926 4.406864 11.94534       6.212272 
1 1 1 1   27 4  o 54.92665 4.883035 373.8007       63.90808 404.1831       100.9152 353.4570       82.57728 56.63401 7.365068 53.21928 6.413414 3.414734       9.766069 
1 1 1 1   27 5  o 25.92224 6.894745 67.60278       58.17208 91.79086       90.79569 50.76028       75.76483 28.19039 10.26641 23.65409 9.206030 4.536295       13.78949 
1 1 1 1   27 6  o 26.65195 6.427486 43.60983       60.52337 177.5950       90.91536 -63.02695      81.10775 36.06640 10.04633 17.23751 8.020070 18.82890       12.85497 
1 1 1 1   27 7  o 68.40237 4.382017 588.0427       72.35224 642.9360       103.9078 536.3782       100.8057 71.58074 5.999980 65.22400 6.388155 6.356743       8.764033 
1 1 1 1   27 8  o 49.78395 8.492157 349.5164       98.48724 418.7983       162.7143 309.4586       123.7254 53.06277 12.81832 46.50513 11.14260 6.557640       16.98431 
1 1 1 1   27 9  o 69.42968 4.232685 613.9758       70.75726 665.1208       98.69303 559.8825       101.4977 72.60917 5.618142 66.25019 6.332374 6.358978       8.465369 
1 1 1 1   27 10 o 66.70538 4.326539 570.5795       69.81629 559.2814       98.31598 582.0724       99.15971 66.01640 6.155594 67.39435 6.081482 -1.377945      8.653078 
1 1 1 1   27 11 o 37.79253 6.953485 221.9223       68.21507 291.9676       90.94595 131.8303       103.1424 45.48341 8.579314 30.10165 10.94528 15.38175       13.90697 
1 1 1 1   27 12 o 35.39121 7.528650 204.4960       72.79472 257.9316       99.87002 143.9265       106.3277 40.60892 10.18349 30.17351 11.09139 10.43541       15.05730 
1 1 1 1   27 13 o 23.79349 7.066327 68.40611       68.67130 52.80049       93.11034 87.01917       101.6873 22.57645 9.639290 25.01052 10.33518 -2.434063      14.13265 
1 1 1 1   29 0  o 26.82628 7.019360 82.89034       61.57341 49.69669       94.50780 107.3720       81.16348 24.86757 10.08263 28.78499 9.768635 -3.917419      14.03872 
1 1 1 1   29 1  o 29.30659 7.183640 110.2137       63.56149 75.46077       95.21984 138.1451       85.36456 26.75611 10.34626 31.85706 9.968634 -5.100954      14.36728 
1 1 1 1   29 2  o 88.06555 3.600030 950.2800       76.07513 1113.653       116.5263 828.9199       100.4318 94.55342 5.093831 81.57769 5.088591 12.97573       7.200061 
1 1 1 1   29 3  o 35.31993 7.194311 170.8987       64.66214 209.5058       98.98927 142.1637       85.40034 38.50161 10.38732 32.13825 9.956705 6.363354       14.38862 
1 1 1 1   29 4  f 27.48031 7.174107 85.68723       63.00020 126.1956       97.67311 56.82731       82.44226 30.71719 10.70510 24.24342 9.553636 6.473774       14.34821 
1 1 1 1   29 5  o 114.9197 4.372749 1674.868       121.3338 1788.221       178.5609 1577.632       165.3799 118.4761 6.229504 111.3633 6.138162 7.112770       8.745499 
1 1 1 1   29 6  o 72.45767 7.774308 692.9209       136.2851 0.000000       0.000000 692.9209       136.2851 ?        ?        72.45767 7.774308 ?              ?        
1 1 1 1   29 7  o 31.47932 8.289866 104.3976       89.14619 252.2308       143.2707 11.00416       113.8753 39.51034 12.96999 23.44830 10.32796 16.06204       16.57973 
1 1 1 1   29 8  o 84.24231 5.431672 961.2617       109.9071 1069.482       154.3970 850.0892       156.4884 89.68902 7.115366 78.79561 8.208763 10.89341       10.86334 
1 1 1 1   29 9  o 33.76676 9.487475 198.3818       115.8352 198.8102       166.2421 197.9774       161.4926 33.77473 13.48468 33.75880 13.34961 0.1593018E-01  18.97495 
1 1 1 1   29 10 o 32.45124 9.292830 196.1242       111.6564 229.2683       176.3434 173.9441       144.2573 33.69256 13.73064 31.20992 12.52582 2.482643       18.58566 
1 1 1 2   0  0  o 75.79898 1.825387 697.5134       47.21635 697.5134       47.21635 697.5134       47.21635 75.79898 2.581488 75.79898 2.581488 0.000000       0.000000 
1 1 1 2   0  3  o 326.5070 4.274696 12916.93       477.1765 12916.93       477.1765 12916.93       477.1765 326.5070 6.045333 326.5070 6.045333 0.000000       0.000000 
1 1 1 2   0  4  o 215.3917 3.061120 5620.498       225.3879 5620.498       225.3879 5620.498       225.3879 215.3917 4.329077 215.3917 4.329077 0.000000       0.000000 
1 1 1 2   0  5  o 610.0770 10.77904 45234.98       2246.823 45234.98       2246.823 45234.98       2246.823 610.0770 15.24387 610.0770 15.24387 0.000000       0.000000 
1 1 1 2   0  6  o 128.7628 2.240200 2009.458       98.55986 2009.458       98.55986 2009.458       98.55986 128.7628 3.168122 128.7628 3.168122 0.000000       0.000000 
1 1 1 2   0  7  o 405.1863 5.179788 19886.68       717.5693 19886.68       717.5693 19886.68       717.5693 405.1863 7.325326 405.1863 7.325326 0.000000       0.000000 
1 1 1 2   0  8  o 237.4290 3.310787 6828.297       268.7207 6828.297       268.7207 6828.297       268.7207 237.4290 4.682159 237.4290 4.682159 0.000000       0.000000 
1 1 1 2   0  9  o 175.6498 2.689658 3737.954       161.4738 3737.954       161.4738 3737.954       161.4738 175.6498 3.803751 175.6498 3.803751 0.000000       0.000000 
1 1 1 2   0  10 o 791.8021 9.799752 76125.23       2653.072 76125.23       2653.072 76125.23       2653.072 791.8021 13.85894 791.8021 13.85894 0.000000       0.000000 
1 1 1 2   0  11 o 288.7191 3.867507 10101.69       381.7440 10101.69       381.7440 10101.69       381.7440 288.7191 5.469481 288.7191 5.469481 0.000000       0.000000 
1 1 1 2   0  12 f 132.5428 2.330832 2129.777       105.5545 2129.777       105.5545 2129.777       105.5545 132.5428 3.296293 132.5428 3.296293 0.000000       0.000000 
1 1 1 2   0  13 f 296.3458 3.964762 10647.66       401.6821 10647.66       401.6821 10647.66       401.6821 296.3458 5.607021 296.3458 5.607021 0.000000       0.000000 
1 1 1 2   0  14 f 135.6308 2.399383 2230.635       111.1887 2230.635       111.1887 2230.635       111.1887 135.6308 3.393240 135.6308 3.393240 0.000000       0.000000 
1 1 1 2   0  15 o 134.2366 2.393684 2185.358       109.7819 2185.358       109.7819 2185.358       109.7819 134.2366 3.385180 134.2366 3.385180 0.000000       0.000000 
1 1 1 2   0  16 o 126.1413 2.345111 1930.591       101.0552 1930.591       101.0552 1930.591       101.0552 126.1413 3.316488 126.1413 3.316488 0.000000       0.000000 
1 1 1 2   0  17 o 5.530472 2.830181 -55.87257      28.34925 -55.87257      28.34925 -55.87257      28.34925 5.530472 4.002480 5.530472 4.002480 0.000000       0.000000 
1 1 1 2   0  18 o 64.24789 2.269080 504.1535       49.59607 504.1535       49.59607 504.1535       49.59607 64.24789 3.208963 64.24789 3.208963 0.000000       0.000000 
1 1 1 2   2  1  o 261.8391 3.554727 8296.326       225.1075 8147.162       313.3247 8455.459       323.6253 259.4093 4.992371 264.2688 5.061676 -4.859528      7.109454 
1 1 1 2   2  2  o 429.6503 6.721930 22185.62       650.0043 22974.42       1164.748 21828.84       783.3287 434.9155 11.06941 424.3851 7.629247 10.53043       13.44386 
1 1 1 2   2  4  o 396.9803 5.080640 19068.06       487.5118 18574.96       672.1260 19615.49       708.1774 391.5785 7.094628 402.3821 7.274466 -10.80365      10.16128 
1 1 1 2   2  5  o 220.3482 3.114619 5875.694       166.0358 5914.919       236.0191 5837.263       233.6193 221.0760 4.412688 219.6203 4.396772 1.455673       6.229239 
1 1 1 2   2  6  o 287.0823 4.464171 9769.536       261.4871 9597.455       296.9943 10362.88       551.4875 281.6260 4.358861 292.5385 7.792024 -10.91257      8.928343 
1 1 1 2   2  7  o 281.8016 4.361001 9661.550       258.8551 9714.201       300.1260 9508.626       511.4930 283.3433 4.378128 280.2599 7.543561 3.083344       8.722002 
1 1 1 2   2  8  o 682.8759 9.801933 56367.21       1394.323 56177.05       1604.362 56954.20       2818.714 681.0037 9.737568 684.7482 17.01445 -3.744507      19.60387 
1 1 1 2   2  9  o 152.6643 2.873686 2690.648       88.36388 2593.408       99.41544 3056.514       192.8382 146.4091 2.806619 158.9195 5.015492 -12.51039      5.747371 
1 1 1 2   2  10 o 45.45335 3.220689 276.4756       26.14130 291.4105       29.00706 211.8977       60.31764 49.07678 2.443011 41.82991 5.960122 7.246876       6.441379 
1 1 1 2   2  11 o 337.2349 5.107172 13751.30       359.0070 13711.83       413.2621 13872.70       724.8099 336.4661 5.076706 338.0036 8.863400 -1.537567      10.21434 
1 1 1 2   2  12 o 418.3885 6.227351 21053.32       537.0254 20850.57       614.0029 21713.27       1107.746 414.6761 6.120110 422.1010 10.84730 -7.424927      12.45470 
1 1 1 2   2  13 o 139.1302 2.819335 2364.302       81.49014 2383.500       93.90801 2305.771       163.9727 140.3276 2.766032 137.9328 4.913621 2.394836       5.638671 
1 1 1 2   2  14 o 81.30673 2.820257 809.4905       50.88887 822.9716       61.13053 779.0601       91.84365 82.44568 3.064700 80.16779 4.735294 2.277893       5.640513 
1 1 1 2   2  15 o 98.75018 2.221444 1180.401       53.05959 1153.874       74.03514 1208.415       76.08191 97.61027 3.135018 99.89008 3.148160 -2.279816      4.442887 
1 1 1 2   2  16 o 110.4894 2.267759 1478.875       60.60757 1451.798       84.65050 1507.355       86.81457 109.4527 3.196691 111.5260 3.217467 -2.073296      4.535519 
1 1 1 2   2  17 o 205.0292 3.018619 5085.959       149.3074 5431.214       221.6552 4799.180       202.0141 211.3530 4.334783 198.7055 4.202131 12.64749       6.037239 
1 1 1 2   2  18 o 130.9018 2.379344 2082.623       75.34380 2122.453       107.5729 2044.270       105.5601 132.1300 3.365108 129.6737 3.364694 2.456360       4.758688 
1 1 1 2   2  19 o 56.30476 3.283890 386.1334       44.73382 0.000000       0.000000 386.1334       44.73382 ?        ?        56.30476 3.283890 ?              ?        
1 1 1 2   4  0  o 375.7522 4.843109 17038.72       438.9814 16282.31       593.8660 17949.92       651.7971 366.6073 6.695532 384.8971 6.999476 -18.28979      9.686217 
1 1 1 2   4  1  o 441.0695 5.596157 23565.69       596.8633 23123.04       828.1913 24044.05       860.9457 436.7714 7.837438 445.3676 7.990148 -8.596191      11.19231 
1 1 1 2   4  2  o 348.1823 4.527217 14683.90       381.3631 14716.21       540.2451 14651.80       538.4173 348.5638 6.406284 347.8007 6.398618 0.7630615      9.054435 
1 1 1 2   4  3  o 367.5643 4.750901 16364.12       422.4747 16451.28       600.0698 16278.46       594.9027 368.5340 6.730106 366.5947 6.707451 1.939301       9.501801 
1 1 1 2   4  4  o 750.8272 9.293930 68414.43       1686.752 70154.98       2448.483 66842.30       2327.005 759.8632 13.31863 741.7913 12.96622 18.07190       18.58786 
1 1 1 2   4  5  o 663.0176 8.225430 53316.22       1319.423 53215.60       1862.522 53417.58       1869.388 662.3912 11.62210 663.6439 11.64292 -1.252747      16.45086 
1 1 1 2   4  6  o 441.7035 5.604118 23621.89       598.8644 23531.13       843.2153 23714.27       850.6782 440.8484 7.905821 442.5586 7.944970 -1.710236      11.20824 
1 1 1 2   4  7  o 644.0005 7.994893 50245.61       1245.488 49767.56       1743.810 50743.44       1779.503 640.8797 11.24657 647.1212 11.36608 -6.241516      15.98979 
1 1 1 2   4  8  o 292.0742 3.899629 10314.28       275.3704 10068.42       380.9052 10583.46       398.5594 288.4330 5.458455 295.7154 5.570791 -7.282440      7.799259 
1 1 1 2   4  9  o 625.1288 7.782300 47269.61       1174.550 45616.06       1600.094 49201.61       1729.580 613.3363 10.78312 636.9213 11.22413 -23.58502      15.56460 
1 1 1 2   4  10 o 85.20433 2.661849 802.3922       49.03870 720.7477       56.48588 1052.231       98.81121 77.17613 3.025203 93.23253 4.380629 -16.05640      5.323699 
1 1 1 2   4  11 o 113.5706 2.712579 1632.359       63.34042 1702.479       73.34039 1426.532       125.6525 118.6125 2.555703 108.5286 4.785469 10.08388       5.425157 
1 1 1 2   4  12 o 99.64044 2.710912 1252.476       54.19075 1295.491       61.95057 1112.314       111.8282 103.4646 2.474863 95.81626 4.824028 7.648369       5.421825 
1 1 1 2   4  13 o 312.7208 4.798053 11939.70       315.6908 12008.49       365.9166 11739.44       624.3287 314.7793 4.804781 310.6623 8.306584 4.116943       9.596107 
1 1 1 2   4  14 o 83.68764 2.799709 891.4713       46.23717 925.8780       52.59559 774.4200       97.00984 87.46047 2.485622 79.91482 5.017486 7.545654       5.599418 
1 1 1 2   4  15 o 83.71812 2.866487 867.5385       46.35415 879.8598       51.98763 819.7502       102.3838 85.25110 2.520564 82.18516 5.149150 3.065941       5.732974 
1 1 1 2   4  16 o 188.2887 3.341521 4340.308       131.2762 4373.677       151.6093 4240.333       262.4248 189.9499 3.299017 186.6276 5.812016 3.322281       6.683042 
1 1 1 2   4  17 o 29.54641 4.819038 112.2559       26.52465 114.6558       28.88912 99.36942       66.94347 30.71772 3.887255 28.37510 8.819397 2.342615       9.638077 
1 1 1 2   4  18 o 56.02781 2.487837 380.9564       33.57505 433.5292       48.78017 333.6290       46.28277 59.70419 3.377040 52.35143 3.654167 7.352760       4.975675 
1 1 1 2   4  19 o 74.44102 3.282440 675.1941       59.11687 0.000000       0.000000 675.1941       59.11687 ?        ?        74.44102 3.282440 ?              ?        
1 1 1 2   4  20 o 27.65396 5.643104 98.52213       36.47699 0.000000       0.000000 98.52213       36.47699 ?        ?        27.65396 5.643104 ?              ?        
1 1 1 2   6  0  o 250.1920 3.454911 7575.676       209.0993 7677.264       298.7655 7478.139       292.7485 251.8351 4.903565 248.5489 4.868335 3.286133       6.909822 
1 1 1 2   6  1  o 705.6768 12.43560 60478.20       2114.933 63890.54       3161.960 57715.64       2845.017 723.4370 18.06564 687.9165 17.09413 35.52051       24.87120 
1 1 1 2   6  2  o 247.8356 3.431543 7434.740       205.7542 7457.882       291.9495 7411.902       290.0209 248.2185 4.861512 247.4527 4.844343 0.7658234      6.863086 
1 1 1 2   6  3  o 360.0018 4.672202 15652.24       406.1558 15066.97       553.9550 16332.61       597.2697 352.7498 6.490907 367.2538 6.722053 -14.50400      9.344403 
1 1 1 2   6  4  o 305.0270 4.049845 11261.04       298.8488 11344.11       425.5479 11180.21       419.7832 306.1362 5.745548 303.9178 5.709086 2.218353       8.099690 
1 1 1 2   6  5  o 555.5781 6.945114 37388.70       933.4539 37123.84       1310.304 37661.63       1330.125 553.5836 9.783327 557.5726 9.860271 -3.989014      13.89023 
1 1 1 2   6  6  o 183.3779 3.952571 4068.690       175.3594 0.000000       0.000000 4068.690       175.3594 ?        ?        183.3779 3.952571 ?              ?        
1 1 1 2   6  7  o 536.1948 6.718308 34824.04       871.5270 34741.55       1229.354 34907.39       1235.721 535.5574 9.487868 536.8322 9.514359 -1.274780      13.43662 
1 1 1 2   6  8  o 744.4279 9.207563 67236.50       1658.180 66734.17       2326.648 67755.02       2363.836 741.6120 12.96736 747.2437 13.07534 -5.631714      18.41513 
1 1 1 2   6  9  o 143.3238 2.478227 2485.735       85.92853 2522.188       121.8169 2449.634       121.2278 144.3699 3.487617 142.2777 3.521785 2.092133       4.956455 
1 1 1 2   6  10 o 361.7457 4.692755 15859.32       410.6711 16001.15       585.5818 15722.04       576.0878 363.3344 6.661602 360.1570 6.611417 3.177399       9.385509 
1 1 1 2   6  11 o 192.3231 2.886214 4475.631       134.2458 4599.858       193.0643 4359.340       186.7953 194.9045 4.094283 189.7416 4.069124 5.162888       5.772428 
1 1 1 2   6  12 o 250.0058 4.042595 7513.205       208.5260 7453.932       238.5906 7704.938       429.1168 248.0889 3.975061 251.9227 7.040538 -3.833832      8.085190 
1 1 1 2   6  13 o 315.4111 4.842792 12182.97       322.3917 12290.34       374.5977 11876.26       633.1048 318.4254 4.862449 312.3967 8.376581 6.028717       9.685583 
1 1 1 2   6  14 f 132.2476 2.923392 2112.451       78.22701 2106.756       88.86092 2132.064       164.9106 131.9162 2.784264 132.5791 5.141279 -0.6628876     5.846783 
1 1 1 2   6  15 o 59.66070 3.768676 458.9907       38.31934 470.8879       41.74213 395.2409       96.62539 62.35755 2.766835 56.96385 7.011156 5.393696       7.537352 
1 1 1 2   6  16 o 116.1248 2.845892 1665.624       66.71135 1689.847       76.05090 1584.771       138.9423 118.1018 2.661616 114.1477 5.031123 3.954124       5.691783 
1 1 1 2   6  17 o 63.49486 3.256031 492.4675       38.38684 493.1548       42.40972 489.3516       90.29900 63.76613 2.748989 63.22359 5.903389 0.5425415      6.512062 
1 1 1 2   6  18 o 124.0013 2.912251 1929.478       73.95933 1979.195       85.12134 1776.324       149.4003 127.6559 2.756101 120.3467 5.131153 7.309242       5.824502 
1 1 1 2   6  19 o 82.79085 3.135550 802.6528       54.50048 766.1847       62.39400 920.0476       111.9466 79.27740 3.253053 86.30431 5.361374 -7.026909      6.271099 
1 1 1 2   6  20 o 50.01871 2.785213 308.4768       33.59660 328.5289       46.82729 287.2061       48.22925 51.73792 3.741001 48.29950 4.127296 3.438419       5.570427 
1 1 1 2   8  0  o 359.9536 4.687407 15583.39       406.2217 16713.13       612.1814 14694.59       542.9905 371.5234 6.810698 348.3837 6.442170 23.13977       9.374815 
1 1 1 2   8  1  o 639.4326 7.965772 49499.36       1230.504 51092.38       1799.673 48100.82       1686.250 649.0491 11.46077 629.8162 11.06639 19.23291       15.93154 
1 1 1 2   8  2  o 327.1529 4.308255 12938.40       340.6662 13331.58       495.2450 12585.27       469.3470 331.8615 6.168235 322.4442 6.016405 9.417297       8.616510 
1 1 1 2   8  3  o 453.4885 5.759778 24896.53       631.7812 24615.31       881.8672 25193.05       905.5505 450.8619 8.084578 456.1152 8.206081 -5.253326      11.51956 
1 1 1 2   8  4  o 315.2375 4.176516 12026.79       318.5310 12004.76       449.5482 12049.01       451.3993 314.9478 5.899775 315.5273 5.913188 -0.5795593     8.353031 
1 1 1 2   8  5  o 588.7400 7.360643 41798.70       1044.536 44110.57       1560.068 39920.20       1406.268 603.4059 10.68641 574.0741 10.12507 29.33185       14.72129 
1 1 1 2   8  6  o 792.3296 9.782589 76147.55       1875.105 76727.77       2672.673 75585.13       2631.407 795.2927 13.89045 789.3665 13.77866 5.926208       19.56518 
1 1 1 2   8  7  o 302.7511 4.043878 11093.67       296.1891 11029.84       416.6453 11158.89       421.1402 301.8711 5.704829 303.6311 5.732950 -1.760010      8.087755 
1 1 1 2   8  8  o 514.8039 6.474552 32114.50       806.0897 31606.15       1121.252 32658.29       1159.685 510.5993 9.076551 519.0085 9.235558 -8.409271      12.94910 
1 1 1 2   8  9  o 374.5316 4.850926 16896.51       437.4819 15988.09       585.3489 18046.07       658.4721 363.2182 6.661083 385.8449 7.053786 -22.62668      9.701852 
1 1 1 2   8  10 o 400.6523 5.148721 19473.81       499.0703 19554.94       708.3454 19393.83       703.2660 401.4792 7.292556 399.8254 7.270210 1.653748       10.29744 
1 1 1 2   8  11 o 180.1239 2.809884 3929.006       122.4495 3936.075       172.8551 3921.885       173.4861 180.2870 3.962922 179.9607 3.984600 0.3263245      5.619768 
1 1 1 2   8  12 o 131.0740 2.448582 2078.602       77.61401 2163.177       111.4629 1998.997       108.1382 133.6607 3.446866 128.4872 3.478698 5.173477       4.897165 
1 1 1 2   8  13 f 156.7026 2.634069 2973.260       99.84377 3049.416       142.7216 2900.266       139.7269 158.6674 3.717915 154.7377 3.732343 3.929703       5.268138 
1 1 1 2   8  14 o 100.4533 2.910176 1181.836       57.38467 1153.861       64.11624 1294.468       128.6517 97.62296 2.714649 103.2837 5.148511 -5.660721      5.820352 
1 1 1 2   8  15 o 39.59862 4.911672 184.9750       33.81602 180.3507       36.76835 210.3510       86.13107 38.55977 3.941281 40.63746 8.998021 -2.077690      9.823344 
1 1 1 2   8  16 o 57.09232 3.729711 419.5311       38.27827 431.6407       42.24286 363.9500       90.50063 59.66778 2.926248 54.51686 6.861491 5.150925       7.459422 
1 1 1 2   8  17 o 26.55406 5.127871 102.2043       31.09042 116.4597       33.64713 18.95300       81.31213 30.89751 4.501136 22.21061 9.215204 8.686901       10.25574 
1 1 1 2   8  18 o 35.91377 5.310979 175.6013       33.68372 181.3178       36.67597 144.7948       85.14127 38.53608 3.933796 33.29147 9.866674 5.244610       10.62196 
1 1 1 2   8  19 o 39.57759 5.474386 240.2583       36.38963 257.3938       39.60552 147.4123       92.19131 45.88484 3.567666 33.27033 10.35120 12.61451       10.94877 
1 1 1 2   8  20 o 57.69700 4.329632 430.6593       42.57478 435.3723       46.28661 404.7591       108.5068 59.63220 3.208279 55.76180 8.042997 3.870403       8.659265 
1 1 1 2   10 0  f 79.26988 2.583480 760.1358       49.52385 764.4105       71.21916 756.1336       68.91237 79.48544 3.703455 79.05432 3.603041 0.4311142      5.166961 
1 1 1 2   10 1  o 510.1144 6.422106 31472.28       791.7991 30671.69       1090.837 32363.83       1151.141 503.2737 8.958869 516.9550 9.203937 -13.68127      12.84421 
1 1 1 2   10 2  o 549.9412 6.891596 36627.77       916.8751 36852.29       1305.552 36409.25       1287.942 551.6015 9.782875 548.2809 9.709363 3.320618       13.78319 
1 1 1 2   10 3  o 440.4222 5.606875 23451.56       596.7918 24152.22       868.6941 22825.29       821.2823 446.6384 8.039120 434.2059 7.817977 12.43246       11.21375 
1 1 1 2   10 4  o 1010.403 12.43000 124029.4       3038.281 125040.8       4332.324 123050.6       4262.094 1014.437 17.65198 1006.369 17.50506 8.068298       24.86000 
1 1 1 2   10 5  o 300.1609 4.039270 10904.23       293.3256 10864.46       413.2058 10944.64       416.4635 299.6095 5.700442 300.7123 5.724313 -1.102844      8.078540 
1 1 1 2   10 6  o 107.2389 3.444739 1391.478       89.37396 0.000000       0.000000 1391.478       89.37396 ?        ?        107.2389 3.444739 ?              ?        
1 1 1 2   10 7  o 366.9995 4.766808 16312.10       423.1982 16165.61       593.0142 16464.14       604.1259 365.3228 6.709435 368.6762 6.772985 -3.353333      9.533616 
1 1 1 2   10 8  o 102.6192 2.362540 1274.266       58.63905 1265.988       81.84354 1282.999       84.05702 102.2773 3.307524 102.9611 3.374414 -0.6838760     4.725081 
1 1 1 2   10 9  o 577.2112 7.236468 40505.38       1010.033 39773.24       1401.384 41296.83       1457.046 571.8197 10.12968 582.6027 10.33709 -10.78296      14.47294 
1 1 1 2   10 10 o 307.5342 5.047034 11395.89       351.0757 11714.46       622.1000 11247.02       425.2664 310.4861 8.281627 304.5824 5.771039 5.903717       10.09407 
1 1 1 2   10 11 o 259.9225 4.397645 8171.579       260.1746 8122.175       317.5550 8272.457       453.7740 258.8615 5.070480 260.9836 7.186610 -2.122040      8.795290 
1 1 1 2   10 12 o 212.8009 3.132171 5487.524       161.2574 5507.927       228.3648 5467.233       227.7413 213.1956 4.427398 212.4062 4.431719 0.7893982      6.264342 
1 1 1 2   10 13 f 328.4445 4.352658 13101.45       345.8479 12996.93       485.4476 13209.18       492.8418 327.1191 6.133864 329.7700 6.177235 -2.650818      8.705316 
1 1 1 2   10 14 o 113.8721 2.469372 1571.491       68.02631 1563.190       96.60934 1579.654       95.80318 113.5725 3.515959 114.1718 3.468316 -0.5993500     4.938744 
1 1 1 2   10 15 o 169.7088 2.753784 3488.439       112.9451 3660.711       164.4001 3334.446       155.4338 173.6660 3.912776 165.7515 3.876016 7.914474       5.507569 
1 1 1 2   10 16 o 123.4328 3.010852 1898.042       75.42400 1936.496       86.32250 1773.944       155.0718 126.3512 2.823854 120.5144 5.318531 5.836876       6.021704 
1 1 1 2   10 17 o 90.24712 3.137100 963.8938       55.75108 942.1231       62.40442 1049.970       124.0858 88.05688 2.929205 92.43736 5.548455 -4.380470      6.274201 
1 1 1 2   10 18 o 34.80324 5.030093 98.97857       35.79730 59.75857       39.36110 286.6151       86.09384 21.85851 6.757535 47.74796 7.452722 -25.88945      10.06019 
1 1 1 2   10 19 o 31.55880 5.419651 168.6943       40.11076 200.0407       43.83957 7.585961       99.38731 40.26580 4.500156 22.85179 9.860987 17.41401       10.83930 
1 1 1 2   10 20 o 46.71894 4.848355 236.4109       42.61725 213.1277       46.44016 360.6187       107.2624 41.36755 4.640145 52.07033 8.514413 -10.70278      9.696710 
1 1 1 2   12 1  o 368.1429 5.876882 16414.08       494.0636 16417.70       605.8637 16406.90       853.6005 368.2685 6.799986 368.0174 9.587029 0.2511292      11.75376 
1 1 1 2   12 2  o 637.2847 9.730025 49202.01       1410.841 49052.68       1722.622 49506.24       2458.843 636.1465 11.19259 638.4230 15.91915 -2.276489      19.46005 
1 1 1 2   12 3  o 182.5679 3.589163 4108.496       150.9496 4296.061       189.1872 3779.893       250.4101 188.4222 4.150089 176.7136 5.857057 11.70854       7.178325 
1 1 1 2   12 4  f 672.1063 8.356435 54787.75       1358.574 55380.45       1943.488 54221.36       1899.882 675.6487 11.88936 668.5638 11.74577 7.084900       16.71287 
1 1 1 2   12 5  o 229.2592 3.318394 6354.027       183.8812 6193.564       253.4187 6532.450       267.2249 226.2080 4.630506 232.3105 4.754511 -6.102509      6.636788 
1 1 1 2   12 6  o 102.7679 3.640507 1278.201       90.51521 0.000000       0.000000 1278.201       90.51521 ?        ?        102.7679 3.640507 ?              ?        
1 1 1 2   12 7  o 392.4425 5.066375 18675.40       481.0261 18739.51       682.6140 18612.16       677.9572 393.1098 7.177264 391.7751 7.152586 1.334717       10.13275 
1 1 1 2   12 8  o 69.21394 3.865452 587.4183       63.94481 647.7097       87.10667 516.9542       94.16890 73.12269 4.923761 65.30519 5.960155 7.817497       7.730904 
1 1 1 2   12 9  o 137.1855 2.559132 2278.627       84.93528 2304.612       120.3208 2252.818       119.9135 137.9656 3.604689 136.4055 3.633573 1.560074       5.118264 
1 1 1 2   12 10 o 85.59615 2.489533 887.1055       51.55358 876.8804       72.61848 897.4953       73.20055 85.09875 3.527132 86.09356 3.514321 -0.9948120     4.979067 
1 1 1 2   12 11 o 159.6993 2.718942 3088.807       105.0445 3039.601       147.6656 3139.217       149.4615 158.4114 3.852925 160.9871 3.837389 -2.575714      5.437884 
1 1 1 2   12 12 o 140.3233 2.620768 2375.743       88.79212 2573.153       130.3270 2204.732       121.3004 145.7421 3.696129 134.9045 3.716494 10.83754       5.241536 
1 1 1 2   12 13 o 91.18739 2.667480 1007.635       58.84214 1022.682       83.99012 993.1300       82.46163 91.85551 3.779381 90.51928 3.765378 1.336235       5.334959 
1 1 1 2   12 14 o 89.70909 2.659660 968.8961       57.44767 1112.335       85.16958 849.1623       77.81429 95.76027 3.676181 83.65792 3.844589 12.10235       5.319321 
1 1 1 2   12 15 o 76.88435 2.644940 716.2993       49.09729 784.5498       71.24183 654.5620       67.75725 80.37031 3.663845 73.39841 3.815635 6.971901       5.289880 
1 1 1 2   12 16 o 29.20161 5.104768 110.0053       35.72614 105.5068       53.78072 113.5584       47.79593 28.64977 7.624700 29.75344 6.789594 -1.103670      10.20954 
1 1 1 2   12 17 o 70.61308 4.127328 609.6828       70.51093 609.6828       70.51093 0.000000       0.000000 70.61308 4.127328 ?        ?        ?              ?        
1 1 1 2   12 18 o 89.86515 3.290490 968.3478       59.05483 948.1370       66.50797 1043.665       128.3893 88.16283 3.118070 91.56747 5.795424 -3.404648      6.580980 
1 1 1 2   12 19 o 46.21960 6.238730 290.6380       64.48972 300.0595       79.73240 272.8138       109.6677 48.48582 6.797008 43.95338 10.46364 4.532444       12.47746 
1 1 1 2   12 20 o 36.90415 6.232020 199.0782       45.89980 206.1836       50.57023 165.8537       109.3531 40.38938 5.175179 33.41891 11.33886 6.970467       12.46404 
1 1 1 2   14 0  o 296.2134 4.033482 10576.55       288.1613 10060.93       389.3081 11201.37       428.5565 288.2694 5.582036 304.1575 5.823811 -15.88812      8.066963 
1 1 1 2   14 1  o 288.7484 3.942114 10083.36       275.1947 10389.05       398.5140 9804.703       380.4802 292.9248 5.623220 284.5720 5.526340 8.352814       7.884228 
1 1 1 2   14 2  o 384.6627 4.991858 17925.00       464.5209 17786.81       651.6833 18067.74       662.3092 383.1582 7.030014 386.1673 7.088968 -3.009064      9.983715 
1 1 1 2   14 3  o 446.1734 5.709627 23945.52       612.4290 22540.35       812.9291 25789.69       931.2988 431.1935 7.792525 461.1533 8.347210 -29.95987      11.41925 
1 1 1 2   14 4  o 277.6315 3.824071 9316.409       256.4935 8994.859       351.4888 9682.685       375.1382 272.5225 5.330977 282.7405 5.484045 -10.21799      7.648141 
1 1 1 2   14 5  o 146.3630 2.697532 2591.809       95.47794 2704.485       136.6508 2484.336       133.4582 149.4702 3.778811 143.2557 3.850624 6.214554       5.395063 
1 1 1 2   14 6  o 217.8488 3.216268 5739.207       169.3710 5548.383       233.6924 5950.352       245.8212 214.0419 4.512772 221.6557 4.583930 -7.613846      6.432537 
1 1 1 2   14 7  o 142.2130 3.707027 2448.701       127.5462 0.000000       0.000000 2448.701       127.5462 ?        ?        142.2130 3.707027 ?              ?        
1 1 1 2   14 8  o 272.4153 3.756071 8995.216       247.5456 9045.228       351.7112 8946.120       348.4760 273.1646 5.321810 271.6660 5.301944 1.498535       7.512142 
1 1 1 2   14 9  o 366.7476 4.788734 16318.29       424.6416 16699.45       613.7205 15968.22       588.1623 370.8389 6.840425 362.6564 6.703468 8.182465       9.577468 
1 1 1 2   14 10 o 26.72668 5.419941 88.79394       36.89447 93.86574       52.43182 83.81968       51.92517 27.38979 7.629285 26.06357 7.700459 1.326221       10.83988 
1 1 1 2   14 11 o 219.7625 3.252308 5854.841       172.9016 5906.406       246.7453 5805.095       242.3536 220.7108 4.620862 218.8143 4.577953 1.896408       6.504615 
1 1 1 2   14 12 o 119.5451 2.616053 1731.655       75.65232 1703.722       105.9464 1760.715       108.0621 118.5621 3.693497 120.5281 3.705807 -1.965965      5.232105 
1 1 1 2   14 13 o 198.9911 3.065788 4800.339       147.4621 4995.679       214.2106 4624.386       203.3026 202.8275 4.365277 195.1547 4.305876 7.672760       6.131575 
1 1 1 2   14 14 o 83.12428 2.741275 841.4619       54.98871 802.7094       79.44277 877.1064       76.19069 81.26704 4.040524 84.98151 3.705742 -3.714478      5.482550 
1 1 1 2   14 15 o 87.42023 2.786440 923.1120       58.61847 1068.402       87.02861 802.4618       79.30652 93.67994 3.839840 81.16051 4.038888 12.51943       5.572880 
1 1 1 2   14 16 o 75.81680 2.812572 693.4147       51.27589 797.0679       77.53357 612.8387       68.35983 80.79350 3.966533 70.84011 3.988590 9.953384       5.625143 
1 1 1 2   14 17 o 48.13832 4.048621 270.8290       45.08138 417.9802       73.27274 181.1979       57.18602 58.15500 5.207785 38.12164 6.200347 20.03336       8.097241 
1 1 1 2   14 18 o 77.00082 3.000669 721.7530       55.17763 789.7379       86.61135 675.3121       71.58445 79.92791 4.478927 74.07374 3.994405 5.854172       6.001338 
1 1 1 2   14 19 o 76.81522 3.931890 719.2570       59.09267 700.2757       66.06248 795.2410       132.1763 75.34917 3.623882 78.28126 6.979006 -2.932091      7.863781 
1 1 1 2   14 20 o 39.97019 7.816377 245.6034       75.48616 224.3902       93.45356 285.4254       128.0427 38.44043 9.965736 41.49994 12.04438 -3.059509      15.63275 
1 1 1 2   16 0  o 402.8164 5.207101 19644.05       506.6989 19007.81       693.9106 20370.80       741.6279 395.8610 7.245335 409.7718 7.480691 -13.91083      10.41420 
1 1 1 2   16 1  o 438.4129 5.624984 23313.04       596.3199 23768.20       860.2182 22891.96       827.3870 442.5151 8.034858 434.3107 7.874189 8.204468       11.24997 
1 1 1 2   16 2  o 421.0599 5.415659 21513.69       551.6620 21668.59       785.2443 21362.73       775.1887 422.5524 7.681074 419.5674 7.636659 2.985046       10.83132 
1 1 1 2   16 3  o 426.5616 5.481561 22064.39       565.2602 22645.76       819.2479 21536.15       780.9256 431.9019 7.840213 421.2212 7.662970 10.68069       10.96312 
1 1 1 2   16 4  f 348.4393 4.596161 14717.12       387.3008 14442.81       538.4762 15011.12       557.4694 345.0845 6.449688 351.7940 6.549834 -6.709503      9.192323 
1 1 1 2   16 5  o 284.4450 3.914705 9804.269       269.3268 9661.208       375.5768 9955.713       386.4262 282.3137 5.498755 286.5763 5.573449 -4.262543      7.829409 
1 1 1 2   16 6  o 68.82950 3.082793 573.6840       51.32576 584.9425       73.47741 562.9559       71.72546 69.48849 4.370576 68.17050 4.348851 1.317986       6.165585 
1 1 1 2   16 7  f 138.1993 3.787969 2313.065       126.6527 0.000000       0.000000 2313.065       126.6527 ?        ?        138.1993 3.787969 ?              ?        
1 1 1 2   16 8  o 315.6946 4.241843 12087.90       323.8610 12323.48       465.8967 11867.63       450.5080 318.6619 6.043065 312.7273 5.954350 5.934540       8.483685 
1 1 1 2   16 9  f 277.2105 3.832631 9323.175       257.0445 9299.203       363.1734 9347.238       363.8591 276.8532 5.422033 277.5678 5.418284 -0.7146606     7.665262 
1 1 1 2   16 10 o 122.0066 2.711560 1803.828       80.01961 1805.158       114.4709 1802.557       111.9025 122.0483 3.876690 121.9650 3.792295 0.8325958E-01  5.423119 
1 1 1 2   16 11 o 30.27522 5.709138 115.5933       43.41796 84.81248       61.43821 146.3021       61.36639 26.59213 8.474315 33.95830 7.652647 -7.366167      11.41828 
1 1 1 2   16 12 o 83.47222 2.952494 843.9399       59.55236 896.8616       86.68821 796.6443       81.95082 85.94469 4.169065 80.99975 4.181839 4.944946       5.904987 
1 1 1 2   16 13 o 143.2789 2.768852 2473.552       95.55777 2746.153       143.4139 2255.894       128.1490 150.3126 3.943606 136.2453 3.887690 14.06735       5.537703 
1 1 1 2   16 14 o 146.2287 2.781549 2600.719       98.27184 2670.145       143.4628 2539.344       134.8880 148.0465 4.005334 144.4109 3.860744 3.635651       5.563097 
1 1 1 2   16 15 f 82.69781 2.954253 833.7567       58.97232 866.2542       86.97376 806.1018       80.23246 84.16636 4.271175 81.22927 4.082585 2.937088       5.908505 
1 1 1 2   16 16 o 91.43147 2.891757 1008.224       63.45058 1190.923       96.78663 870.5259       84.02571 98.58928 4.057732 84.27365 4.121146 14.31563       5.783514 
1 1 1 2   16 17 o 42.61841 5.004135 224.2228       49.07206 320.7103       78.03499 161.1085       63.11282 50.41727 6.397462 34.81955 7.696620 15.59772       10.00827 
1 1 1 2   16 18 o 19.75523 5.818670 9.425849       46.36400 56.19501       73.96150 -20.84983      59.50766 23.39853 9.098794 16.11193 7.255318 7.286606       11.63734 
1 1 1 2   16 19 o 26.72444 6.320226 79.91303       48.92817 167.0483       83.56260 34.45422       60.35650 33.50792 9.731481 19.94095 8.067174 13.56697       12.64045 
1 1 1 2   16 20 o 45.39228 8.161136 339.2975       86.26680 294.3486       105.9720 427.6026       148.5334 42.40174 10.40738 48.38282 12.57390 -5.981079      16.32227 
1 1 1 2   18 0  o 127.3302 2.722851 1962.892       83.86949 1998.603       119.7089 1928.464       117.5396 128.4674 3.851512 126.1931 3.849872 2.274269       5.445701 
1 1 1 2   18 1  o 244.5672 3.525083 7241.249       208.4496 7042.633       288.6411 7457.745       301.3541 241.0690 4.948966 248.0654 5.021212 -6.996384      7.050166 
1 1 1 2   18 2  o 123.6190 2.762161 1847.295       82.49220 1992.700       119.2770 1713.979       114.2110 128.2756 3.843354 118.9624 3.968220 9.313148       5.524323 
1 1 1 2   18 3  o 312.0437 4.209652 11811.28       317.8066 11829.72       450.0394 11792.95       448.8559 312.2861 5.956560 311.8013 5.950133 0.4848328      8.419305 
1 1 1 2   18 4  f 207.4441 4.481660 5214.151       224.9274 5214.151       224.9274 0.000000       0.000000 207.4441 4.481660 ?        ?        ?              ?        
1 1 1 2   18 5  o 453.5016 5.817389 24958.25       636.9431 24071.58       867.6745 25994.42       937.9744 444.8419 8.062113 462.1614 8.388706 -17.31958      11.63478 
1 1 1 2   18 6  o 265.7754 3.731226 8567.017       239.9172 8548.109       338.1657 8586.177       340.4341 265.4817 5.264930 266.0691 5.288546 -0.5873718     7.462453 
1 1 1 2   18 7  o 223.9970 3.335215 6083.016       180.7386 6111.235       256.9780 6055.393       254.2498 224.5095 4.731064 223.4845 4.702306 1.025009       6.670431 
1 1 1 2   18 8  o 25.07484 6.054626 54.65073       48.02522 1.620404       64.49513 120.6502       71.95070 19.02981 8.070504 31.11987 9.027789 -12.09005      12.10925 
1 1 1 2   18 9  o 210.4566 3.225558 5374.072       164.2361 5386.819       232.2791 5361.328       232.2509 210.7068 4.556477 210.2063 4.566773 0.5005646      6.451116 
1 1 1 2   18 10 o 96.34821 2.876417 1127.203       66.99245 1147.423       93.35616 1105.737       96.19067 97.24690 3.967938 95.44951 4.165402 1.797394       5.752835 
1 1 1 2   18 11 f 70.99535 3.363856 611.0951       57.67438 662.0314       84.24826 566.1702       79.12077 73.77325 4.720192 68.21743 4.793942 5.555824       6.727711 
1 1 1 2   18 12 o 26.50362 6.191059 83.39741       45.96198 87.77717       68.56741 79.82370       61.93719 27.12922 8.975877 25.87801 8.529388 1.251209       12.38212 
1 1 1 2   18 13 o 70.34715 3.527340 608.6808       59.57688 579.0375       88.61085 633.1355       80.48322 68.71771 5.329861 71.97659 4.621806 -3.258881      7.054680 
1 1 1 2   18 14 o 116.2410 2.836059 1636.600       79.41036 1837.400       118.8170 1474.499       106.7553 122.6305 4.004769 109.8515 4.016808 12.77904       5.672118 
1 1 1 2   18 15 o 116.4814 2.835840 1655.629       79.70789 1757.816       118.0680 1570.055       108.0456 119.7457 4.075396 113.2172 3.944504 6.528557       5.671681 
1 1 1 2   18 16 o 34.39308 6.029257 152.8851       50.97735 225.1997       78.55776 100.2844       66.99960 41.09929 8.188024 27.68686 8.852345 13.41243       12.05851 
1 1 1 2   18 17 o 19.06959 5.903340 -1.845054      51.45313 -9.258640      79.65557 3.462982       67.40140 19.40624 8.588050 18.73295 8.102044 0.6732883      11.80668 
1 1 1 2   18 18 o 29.64991 6.416932 110.4292       54.07936 206.2740       85.28529 45.97637       69.93761 37.53068 9.410027 21.76914 8.726937 15.76154       12.83386 
1 1 1 2   18 19 o 16.04002 5.398820 -68.32924      54.97372 -33.81032      89.12619 -89.52659      69.84214 18.19858 8.447071 13.88145 6.725772 4.317127       10.79764 
1 1 1 2   20 0  f 122.7445 3.896920 1825.155       115.7247 1825.155       115.7247 0.000000       0.000000 122.7445 3.896920 ?        ?        ?              ?        
1 1 1 2   20 1  o 282.6350 3.920982 9673.507       267.7875 9343.098       367.7569 10046.43       390.7011 277.5172 5.477327 287.7528 5.612067 -10.23560      7.841964 
1 1 1 2   20 2  o 130.4227 2.862760 2055.750       90.21062 1958.693       123.7529 2165.803       131.7793 127.1474 4.022958 133.6980 4.073987 -6.550636      5.725519 
1 1 1 2   20 3  o 76.57257 3.339779 713.9987       61.51617 797.3765       86.65617 629.2960       87.34188 81.10963 4.415956 72.03550 5.011569 9.074135       6.679557 
1 1 1 2   20 4  o 231.9959 3.426875 6526.613       192.3334 6493.997       270.2574 6560.084       273.7777 231.4110 4.827156 232.5809 4.865435 -1.169937      6.853750 
1 1 1 2   20 5  o 62.09462 3.819477 468.5787       57.30722 484.7118       80.01775 451.5900       82.11214 63.19971 5.233219 60.98953 5.564802 2.210175       7.638953 
1 1 1 2   20 6  o 198.1653 3.171058 4747.934       151.7566 5014.945       222.9705 4517.501       207.1357 203.3337 4.532478 192.9968 4.436112 10.33691       6.342117 
1 1 1 2   20 7  o 140.9245 4.072644 2408.740       138.8562 2408.740       138.8562 0.000000       0.000000 140.9245 4.072644 ?        ?        ?              ?        
1 1 1 2   20 8  o 148.3651 2.828092 2670.398       101.4961 2709.794       145.2326 2632.790       141.8998 149.4323 4.017141 147.2979 3.981832 2.134445       5.656183 
1 1 1 2   20 9  o 105.8504 2.902180 1361.491       74.25546 1432.256       105.2648 1291.398       104.7632 108.5995 4.006388 103.1012 4.199934 5.498230       5.804360 
1 1 1 2   20 10 o 46.69660 4.681840 266.4239       52.71862 298.8671       77.07948 237.9078       72.26406 49.37316 6.452761 44.02005 6.785307 5.353107       9.363681 
1 1 1 2   20 11 o 80.67557 4.828392 795.2438       94.24250 795.2438       94.24250 0.000000       0.000000 80.67557 4.828392 ?        ?        ?              ?        
1 1 1 2   20 12 o 112.7699 2.844491 1532.151       77.10236 1772.575       116.7762 1346.337       102.6609 120.5163 4.005033 105.0235 4.040326 15.49282       5.688983 
1 1 1 2   20 13 o 143.1127 2.909670 2482.996       100.0912 2710.472       152.4867 2310.793       132.6732 148.7678 4.236632 137.4576 3.989443 11.31021       5.819339 
1 1 1 2   20 14 o 95.14807 3.181957 1093.965       72.26469 1382.872       110.0555 874.9914       95.81370 106.0636 4.288871 84.23257 4.701594 21.83100       6.363914 
1 1 1 2   20 15 o 49.53870 4.783663 303.2039       56.47675 382.0791       88.76263 249.5523       73.20679 54.82013 6.692491 44.25729 6.836979 10.56284       9.567326 
1 1 1 2   20 16 o 34.69609 6.625732 169.4968       58.45436 219.9993       83.69155 121.3939       81.67907 39.73252 8.924372 29.65967 9.795760 10.07284       13.25146 
1 1 1 2   20 17 o 30.22848 6.821669 123.8561       62.01081 210.8943       90.35442 46.35584       85.26018 37.56300 9.828773 22.89396 9.462341 14.66904       13.64334 
1 1 1 2   20 18 o 59.67190 4.524827 478.9773       65.16851 514.6387       96.27908 448.8240       88.53194 61.65844 6.454121 57.68536 6.343546 3.973083       9.049655 
1 1 1 2   22 0  o 57.28546 4.451207 400.9820       61.18632 462.3781       86.89554 340.6069       86.17007 61.67721 5.823318 52.89372 6.733642 8.783489       8.902413 
1 1 1 2   22 1  o 236.0530 3.502222 6760.580       199.9435 6903.589       287.3953 6626.433       278.3474 238.4662 4.981390 233.6398 4.924226 4.826370       7.004445 
1 1 1 2   22 2  o 93.80019 3.094667 1070.712       69.90128 1189.632       98.85431 951.7862       98.85637 99.04053 4.125535 88.55985 4.613872 10.48068       6.189333 
1 1 1 2   22 3  o 123.9886 2.902361 1864.002       87.04172 1829.262       121.4505 1900.690       124.8093 122.8027 4.087797 125.1745 4.121250 -2.371796      5.804721 
1 1 1 2   22 4  o 101.9579 3.022697 1264.663       74.38461 1340.396       104.0235 1185.418       106.4085 105.1031 4.090852 98.81270 4.451036 6.290390       6.045394 
1 1 1 2   22 5  o 235.7829 3.482851 6758.568       198.6763 6788.946       280.9659 6728.188       280.9755 236.3154 4.914273 235.2503 4.936692 1.065125       6.965702 
1 1 1 2   22 6  o 123.3618 2.973505 1837.125       88.46492 2037.165       130.9308 1669.094       119.9993 129.5057 4.178791 117.2178 4.231388 12.28784       5.947011 
1 1 1 2   22 7  o 171.0016 3.677912 3391.041       137.9320 3978.584       265.7492 3174.400       161.3701 180.4029 6.088722 161.6002 4.127421 18.80273       7.355824 
1 1 1 2   22 8  o 120.5177 2.894553 1761.916       84.18641 1842.891       124.4813 1693.662       114.2861 123.0460 4.181521 117.9894 4.003577 5.056625       5.789105 
1 1 1 2   22 9  o 95.51129 3.189338 1114.038       73.40221 1246.876       105.1034 987.5601       102.5563 101.1118 4.296478 89.91079 4.714635 11.20101       6.378675 
1 1 1 2   22 10 o 77.28638 3.474303 732.4208       64.92199 720.9702       93.04566 743.2843       90.62914 76.67630 5.015713 77.89645 4.808924 -1.220146      6.948606 
1 1 1 2   22 11 f 115.3749 2.992090 1619.051       83.21255 1749.461       124.3766 1513.377       111.9609 119.5322 4.300823 111.2176 4.160928 8.314514       5.984179 
1 1 1 2   22 12 o 74.10675 3.620719 677.5322       64.83881 725.6440       93.38371 632.7480       90.09647 76.66929 5.034395 71.54421 5.205123 5.125076       7.241439 
1 1 1 2   22 13 f 55.85619 4.680264 394.9575       62.58661 388.0921       95.03731 400.2151       83.16727 55.24378 7.110636 56.46860 6.087557 -1.224823      9.360529 
1 1 1 2   22 14 o 91.52393 3.354228 1038.148       74.11913 1116.317       109.0563 971.0452       101.0424 94.70395 4.759708 88.34391 4.727427 6.360039       6.708457 
1 1 1 2   22 15 o 52.71497 4.949491 363.2504       63.05901 363.6338       87.31974 362.8326       91.16212 52.83775 6.830710 52.59219 7.164581 0.2455559      9.898981 
1 1 1 2   22 16 o 22.24146 6.315803 24.47366       61.02363 109.8431       80.34129 -91.93960      93.81857 27.58255 9.703460 16.90037 8.087048 10.68219       12.63161 
1 1 1 2   22 17 o 61.08111 5.145462 520.9684       75.22795 430.8137       102.3390 626.9520       110.9599 54.84271 7.712941 67.31951 6.812757 -12.47680      10.29092 
1 1 1 2   24 0  o 231.5582 3.456663 6527.497       193.6391 6494.773       272.0914 6561.079       275.6371 230.9760 4.869066 232.1403 4.907778 -1.164307      6.913327 
1 1 1 2   24 1  f 30.30909 6.569710 110.5389       54.65010 68.04996       76.24247 155.4385       78.37549 25.79721 9.405756 34.82096 9.174755 -9.023750      13.13942 
1 1 1 2   24 2  o 127.2333 2.898636 1967.150       89.21167 2000.629       127.6215 1935.159       124.7560 128.2897 4.111778 126.1768 4.086765 2.112877       5.797272 
1 1 1 2   24 3  o 39.00185 6.172602 195.6552       56.75985 190.9241       81.98804 200.0095       78.65665 38.50453 8.968059 39.49916 8.483983 -0.9946327     12.34520 
1 1 1 2   24 4  o 195.7819 3.179964 4622.622       149.7388 5104.967       227.3477 4253.071       198.9979 204.6832 4.590987 186.8806 4.401310 17.80258       6.359929 
1 1 1 2   24 5  o 56.92759 4.319993 396.6492       58.96373 473.5742       86.01370 328.4515       80.98767 62.17131 5.718410 51.68388 6.476815 10.48743       8.639985 
1 1 1 2   24 6  o 181.5325 3.057776 4015.404       134.1881 4131.592       194.5696 3910.010       185.3101 184.0177 4.370317 179.0472 4.277887 4.970535       6.115552 
1 1 1 2   24 7  o 58.17957 4.412152 400.4344       60.72453 539.1525       97.23016 311.7253       77.75332 66.12804 6.077333 50.23110 6.397995 15.89693       8.824304 
1 1 1 2   24 8  o 89.04857 3.429832 969.8790       73.77962 1039.868       107.7033 907.9973       101.2736 92.07026 4.835118 86.02689 4.865862 6.043373       6.859663 
1 1 1 2   24 9  o 70.17513 3.911110 608.4680       66.28846 562.9379       92.92891 655.6354       94.58511 67.45838 5.693937 72.89188 5.363414 -5.433495      7.822220 
1 1 1 2   24 10 o 45.28762 5.993146 273.4289       63.14874 420.6994       91.82836 141.2980       86.98034 57.95314 6.549340 32.62209 10.03879 25.33105       11.98629 
1 1 1 2   24 11 o 25.30454 7.017542 60.12600       62.76063 50.35700       88.98185 69.79685       88.53371 24.58709 9.848248 26.02200 9.999782 -1.434908      14.03508 
1 1 1 2   24 12 o 118.3997 3.152036 1734.835       90.05979 1910.799       129.7119 1571.061       125.1387 124.2785 4.314014 112.5209 4.596805 11.75757       6.304072 
1 1 1 2   24 13 o 13.67026 4.779442 -169.1497      56.88663 -116.1985      84.00242 -214.0033      77.31296 15.33428 7.416678 12.00625 6.030354 3.328033       9.558885 
1 1 1 2   24 14 o 61.83648 4.577373 502.8214       68.02470 544.4595       94.16070 457.3672       98.38093 64.85632 6.000881 58.81663 6.913668 6.039696       9.154746 
1 1 1 2   24 15 o 85.11392 4.128918 957.5045       84.26849 1094.225       119.2973 821.3492       119.0503 91.73196 5.375361 78.49587 6.268758 13.23609       8.257835 
1 1 1 2   26 0  o 131.0822 2.947390 2079.912       93.00784 2273.867       140.3566 1928.068       124.1883 136.4615 4.251287 125.7030 4.083504 10.75848       5.894781 
1 1 1 2   26 1  o 64.21690 4.009541 507.6919       62.22526 498.1306       89.60217 516.5987       86.48045 63.60323 5.822870 64.83057 5.513607 -1.227333      8.019082 
1 1 1 2   26 2  o 65.07511 4.041419 516.3499       63.31858 582.6873       95.11093 463.5466       84.85593 68.79260 5.714607 61.35762 5.716252 7.434982       8.082838 
1 1 1 2   26 3  o 111.4457 3.086270 1518.234       83.14870 1534.742       120.2767 1503.123       115.0757 112.0051 4.438551 110.8864 4.289466 1.118782       6.172540 
1 1 1 2   26 4  o 40.97803 6.080488 211.2930       59.64695 295.9426       90.44282 146.1365       79.34882 48.58849 7.693755 33.36757 9.417827 15.22092       12.16098 
1 1 1 2   26 5  o 147.0145 2.992589 2629.461       106.0807 2847.222       158.1612 2451.396       143.0204 152.4910 4.287001 141.5380 4.176598 10.95293       5.985178 
1 1 1 2   26 6  o 35.07758 6.950313 161.6470       61.81541 200.6445       91.49161 128.8933       83.84805 38.67477 9.773732 31.48040 9.884410 7.194363       13.90063 
1 1 1 2   26 7  o 50.06618 5.467877 316.5319       65.93377 334.7952       98.97352 301.9599       88.40739 51.28258 7.977132 48.84978 7.480379 2.432796       10.93575 
1 1 1 2   26 8  o 148.1024 3.099632 2684.163       110.7035 2943.109       164.5994 2470.284       149.5914 154.5718 4.401447 141.6329 4.365563 12.93898       6.199264 
1 1 1 2   26 9  o 76.63237 3.927551 737.4697       72.40181 818.7122       101.8445 654.4576       102.9477 81.07590 5.192105 72.18884 5.894461 8.887054       7.855102 
1 1 1 2   26 10 f 39.09545 6.867413 217.2451       66.22341 274.9209       92.24751 155.9126       95.12694 44.88361 8.809566 33.30729 10.53741 11.57633       13.73483 
1 1 1 2   26 11 o 51.64946 5.852775 363.6496       70.02126 435.8436       98.79568 290.7813       99.25594 57.83519 7.060630 45.46373 9.336348 12.37146       11.70555 
1 1 1 2   26 12 o 38.40140 7.029138 225.5291       70.31506 310.8186       96.75636 130.0723       102.3612 46.78942 8.871971 30.01338 10.90519 16.77604       14.05828 
1 1 1 2   26 13 o 31.52686 7.295581 156.4858       64.02039 148.6711       87.66151 165.4178       93.71873 30.83877 10.14638 32.21494 10.48585 -1.376169      14.59116 
1 1 1 2   26 14 o 21.41836 6.679446 31.13025       67.55602 39.21039       90.95963 21.19011       100.8870 21.58296 9.373286 21.25375 9.518481 0.3292122      13.35889 
1 1 1 2   28 0  o 65.85770 4.143414 539.6413       65.60236 543.9647       98.56911 536.2034       87.89685 65.99088 6.173830 65.72451 5.527689 0.2663651      8.286829 
1 1 1 2   28 1  o 67.62240 4.226363 571.3119       68.84473 557.5518       101.4330 583.0648       93.74330 66.76066 6.279954 68.48414 5.657805 -1.723480      8.452726 
1 1 1 2   28 2  o 60.89020 4.820686 488.6116       67.21590 334.2685       99.24928 619.3807       91.35585 51.11917 8.024930 70.66123 5.343833 -19.54206      9.641372 
1 1 1 2   28 3  o 40.97581 6.702253 226.7887       64.91727 239.1205       96.47270 216.5841       87.75853 41.91762 9.704286 40.03399 9.247032 1.883629       13.40451 
1 1 1 2   28 4  o 112.2738 3.149404 1545.518       85.22395 1664.260       127.4922 1449.598       114.5877 116.1066 4.538627 108.4410 4.367590 7.665550       6.298808 
1 1 1 2   28 5  o 44.23524 6.328763 264.4683       65.02712 263.5386       97.80103 265.2049       87.05807 43.89633 9.485852 44.57416 8.380426 -0.6778336     12.65753 
1 1 1 2   28 6  o 146.0078 3.896341 2705.243       130.1368 2782.676       161.4407 2561.571       219.9057 149.9129 4.451146 142.1027 6.396343 7.810165       7.792683 
1 1 1 2   28 7  o 60.77208 4.701322 473.4932       68.81299 420.5416       96.50906 528.2540       98.14406 57.13889 6.981262 64.40527 6.298546 -7.266384      9.402643 
1 1 1 2   28 8  o 28.80419 7.554905 92.29564       75.97941 174.6912       107.5525 10.20988       107.3500 34.50446 11.23322 23.10392 10.10550 11.40054       15.10981 
1 1 1 2   28 9  o 57.91710 5.314212 451.5476       73.27360 511.7985       100.8124 384.0716       106.6859 62.63410 6.652745 53.20010 8.288810 9.434006       10.62842 
1 1 1 2   28 10 o 37.37670 8.728603 232.3358       99.17293 126.4723       142.3923 332.0642       138.2048 30.13663 12.31634 44.61678 12.37182 -14.48015      17.45721 
1 1 1 2   28 11 o 72.13467 6.593742 772.7887       115.0049 746.4604       159.3270 801.4277       166.1719 70.90749 9.287416 73.36185 9.362351 -2.454369      13.18748 
1 1 1 2   28 12 o 23.42102 7.774001 3.872046       111.3189 16.22844       164.5218 -6.561571      151.1803 24.03276 11.26036 22.80928 10.72123 1.223475       15.54800 
1 1 1 3   1  2  o 360.4097 6.591648 15758.44       574.7673 15740.63       811.9226 15776.32       813.7681 360.2063 9.316678 360.6132 9.327315 -0.4069519     13.18330 
1 1 1 3   1  3  o 397.0303 10.17054 19131.47       976.9452 0.000000       0.000000 19131.47       976.9452 ?        ?        397.0303 10.17054 ?              ?        
1 1 1 3   1  4  o 337.6059 5.112131 13605.29       354.5228 13428.35       404.3108 14193.93       737.4355 333.0571 5.017579 342.1546 8.908392 -9.097504      10.22426 
1 1 1 3   1  5  o 168.7175 2.998027 3519.880       107.9300 3608.555       126.6720 3284.949       206.1812 172.6969 3.031752 164.7382 5.173118 7.958694       5.996055 
1 1 1 3   1  6  o 306.5432 4.675544 11386.41       300.5158 11397.28       347.2292 11353.96       599.8752 306.8914 4.676589 306.1951 8.097676 0.6962891      9.351088 
1 1 1 3   1  7  o 169.2326 3.022643 3420.640       105.7439 3380.262       120.9675 3551.458       217.7354 167.1528 2.991252 171.3123 5.253370 -4.159576      6.045286 
1 1 1 3   1  8  o 79.03870 2.342223 778.3430       38.07843 799.8612       43.90516 713.0280       76.49249 81.31219 2.231812 76.76521 4.118623 4.546989       4.684446 
1 1 1 3   1  9  o 503.6853 7.310685 30794.15       773.1366 30839.31       894.1179 30660.32       1539.185 504.6642 7.323016 502.7065 12.65535 1.957703       14.62137 
1 1 1 3   1  10 o 334.7106 5.097156 13360.23       349.8997 13175.43       398.6838 13979.77       729.9833 329.8948 4.995178 339.5264 8.886629 -9.631622      10.19431 
1 1 1 3   1  11 o 201.5755 3.405102 4985.271       145.2236 5055.797       169.1610 4787.626       283.1836 204.3783 3.421081 198.7728 5.888555 5.605438       6.810203 
1 1 1 3   1  12 f 254.2669 3.495420 7818.784       214.7693 8115.779       313.2187 7555.237       295.0539 258.8111 5.002217 249.7227 4.883610 9.088409       6.990839 
1 1 1 3   1  13 o 250.3191 3.458187 7593.854       209.4318 7617.925       296.7301 7569.959       295.6355 250.7142 4.891932 249.9239 4.889297 0.7902985      6.916374 
1 1 1 3   1  14 o 132.9301 2.375924 2137.628       76.37188 2066.060       106.0035 2214.872       110.1267 130.6193 3.354368 135.2410 3.365751 -4.621765      4.751849 
1 1 1 3   1  15 o 102.3856 2.234862 1269.019       55.34454 1229.599       77.42723 1310.203       79.13883 100.7599 3.176168 104.0113 3.144900 -3.251358      4.469725 
1 1 1 3   1  16 o 244.8293 3.424811 7281.049       202.8520 7336.951       288.7001 7226.538       285.0861 245.7548 4.855597 243.9038 4.831201 1.851028       6.849622 
1 1 1 3   1  17 o 127.3238 2.369398 1966.437       72.97359 2016.008       104.3244 1918.947       102.1116 128.8949 3.345398 125.7526 3.356263 3.142349       4.738796 
1 1 1 3   1  18 f 58.88349 2.425958 421.6611       34.52751 446.3341       49.17238 397.6650       48.49325 60.58948 3.354452 57.17750 3.505531 3.411980       4.851917 
1 1 1 3   1  19 o 79.92451 3.163365 777.7449       61.16902 0.000000       0.000000 777.7449       61.16902 ?        ?        79.92451 3.163365 ?              ?        
1 1 1 3   3  0  o 544.3474 9.665687 36066.69       1272.919 35930.99       1792.809 36204.64       1807.642 543.3224 13.63874 545.3724 13.69989 -2.049988      19.33137 
1 1 1 3   3  1  f 255.6807 3.494076 7895.902       215.8021 8237.507       316.1416 7597.845       295.3035 260.8440 5.009547 250.5174 4.872238 10.32657       6.988152 
1 1 1 3   3  2  o 426.4683 5.429126 21953.16       558.4289 23142.54       830.2237 20970.45       754.6501 436.9554 7.853364 415.9811 7.498420 20.97427       10.85825 
1 1 1 3   3  3  o 304.0625 4.025684 11194.27       296.1320 11122.41       416.4065 11267.81       421.2230 303.0760 5.678893 305.0490 5.707425 -1.972992      8.051368 
1 1 1 3   3  4  o 94.70576 2.023323 1082.533       46.29035 1167.896       67.23208 1005.592       63.82928 98.24699 2.828492 91.16453 2.893955 7.082466       4.046646 
1 1 1 3   3  5  o 441.7975 5.602066 23640.59       598.7618 23782.42       851.6989 23501.99       841.9397 443.1060 7.944674 440.4891 7.900299 2.616974       11.20413 
1 1 1 3   3  6  o 411.9274 5.257732 20541.61       523.9512 20382.99       735.6971 20704.88       746.3763 410.3150 7.411044 413.5398 7.459989 -3.224854      10.51546 
1 1 1 3   3  7  o 313.8720 4.140270 11909.65       314.1482 11616.86       433.8621 12232.33       455.4705 309.8229 5.788097 317.9211 5.921594 -8.098114      8.280540 
1 1 1 3   3  8  o 82.89616 2.468627 724.1137       44.24650 611.6819       50.67509 1084.830       90.76807 71.10468 2.945738 94.68764 3.962210 -23.58296      4.937254 
1 1 1 3   3  9  o 717.6311 10.30826 62270.12       1537.926 61994.39       1767.610 63129.09       3119.866 715.1417 10.21626 720.1206 17.90723 -4.978943      20.61652 
1 1 1 3   3  10 o 555.2935 8.024183 37649.92       940.2717 37841.98       1091.416 37096.96       1851.908 558.6697 8.074821 551.9172 13.86893 6.752441       16.04837 
1 1 1 3   3  11 o 349.8818 5.261943 14922.12       387.6134 14996.57       449.3234 14705.53       766.3613 351.8429 5.278469 347.9208 9.104391 3.922089       10.52389 
1 1 1 3   3  12 o 339.3057 5.135139 14026.34       366.0749 14078.60       423.7848 13872.70       726.6335 340.8504 5.139006 337.7609 8.892087 3.089508       10.27028 
1 1 1 3   3  13 o 74.75407 2.769918 679.9617       39.88663 682.0309       44.56209 671.6240       89.45084 75.06918 2.453588 74.43895 4.966859 0.6302338      5.539836 
1 1 1 3   3  14 o 40.16644 4.150318 221.6664       28.76862 234.6671       31.97648 166.4485       65.90009 44.02533 3.002104 36.30754 7.738730 7.717789       8.300636 
1 1 1 3   3  15 o 26.52286 5.146011 78.34244       26.27122 74.92126       28.36678 98.96490       69.64546 24.40960 4.972238 28.63613 9.011247 -4.226526      10.29202 
1 1 1 3   3  16 o 178.9598 2.773362 3884.541       120.0574 3839.080       167.9017 3932.104       171.7370 177.8914 3.901196 180.0282 3.942946 -2.136780      5.546725 
1 1 1 3   3  17 o 68.81068 3.234507 574.5433       53.84758 0.000000       0.000000 574.5433       53.84758 ?        ?        68.81068 3.234507 ?              ?        
1 1 1 3   3  18 o 61.48658 3.478528 459.9416       51.74616 0.000000       0.000000 459.9416       51.74616 ?        ?        61.48658 3.478528 ?              ?        
1 1 1 3   3  19 o 101.6812 3.241176 1259.515       79.73440 0.000000       0.000000 1259.515       79.73440 ?        ?        101.6812 3.241176 ?              ?        
1 1 1 3   3  20 o 89.18942 3.228591 971.8181       69.66727 0.000000       0.000000 971.8181       69.66727 ?        ?        89.18942 3.228591 ?              ?        
1 1 1 3   5  0  o 211.6730 3.053236 5384.778       155.6584 5036.331       208.4083 5824.399       234.0919 203.9859 4.222917 219.3601 4.410892 -15.37418      6.106472 
1 1 1 3   5  1  o 585.8442 9.040494 41121.80       1182.998 40187.07       1414.652 43295.65       2157.363 575.4698 10.16073 596.2188 14.95599 -20.74896      18.08099 
1 1 1 3   5  2  o 548.4568 6.866129 36459.93       910.5291 37246.92       1315.528 35736.22       1261.534 554.1178 9.812861 542.7958 9.606388 11.32196       13.73226 
1 1 1 3   5  3  o 197.7155 2.912720 4730.936       139.3289 4737.402       197.1827 4724.487       196.8994 197.8504 4.119359 197.5805 4.119057 0.2698975      5.825439 
1 1 1 3   5  4  o 413.2056 5.275342 20602.33       525.8881 21657.13       779.9022 19722.87       712.1440 422.8575 7.623314 403.5538 7.293972 19.30368       10.55068 
1 1 1 3   5  5  f 212.8979 3.065535 5484.255       157.8914 5444.881       221.9430 5524.602       224.6661 212.1245 4.324625 213.6714 4.345992 -1.546906      6.131070 
1 1 1 3   5  6  o 291.9210 3.902626 10287.54       275.1607 10732.49       403.7137 9901.521       376.0313 297.7997 5.603340 286.0423 5.433648 11.75742       7.805251 
1 1 1 3   5  7  o 566.9449 7.076702 38934.98       970.6479 38752.76       1366.482 39120.55       1379.011 565.6078 9.985873 568.2820 10.03001 -2.674194      14.15340 
1 1 1 3   5  8  o 446.0317 5.663281 24091.03       611.1134 24222.81       868.5462 23961.82       860.0068 447.2386 8.026964 444.8248 7.991174 2.413757       11.32656 
1 1 1 3   5  9  o 475.3027 6.006833 27363.74       690.4423 26898.74       959.4665 27863.15       994.3325 471.1250 8.417660 479.4803 8.571532 -8.355286      12.01367 
1 1 1 3   5  10 o 152.3748 2.520918 2810.029       92.93029 2796.624       130.7376 2823.719       132.1199 152.0077 3.554942 152.7418 3.575262 -0.7341003     5.041836 
1 1 1 3   5  11 o 226.6101 3.746444 6214.892       176.4083 6208.229       202.8397 6235.574       357.3968 226.4534 3.702302 226.7668 6.514317 -0.3134613     7.492888 
1 1 1 3   5  12 o 209.8702 3.566637 5286.861       154.0873 5241.587       176.0852 5434.860       318.3673 208.0687 3.497952 211.6718 6.216746 -3.603165      7.133275 
1 1 1 3   5  13 o 160.6648 3.092240 3096.720       101.2368 3070.730       115.1778 3185.009       212.2845 159.2657 2.989125 162.0639 5.414141 -2.798264      6.184480 
1 1 1 3   5  14 o 111.3579 2.903224 1597.101       65.49534 1686.734       75.65456 1328.971       130.8504 118.0414 2.649101 104.6744 5.166924 13.36697       5.806448 
1 1 1 3   5  15 o 178.5510 3.296582 3923.921       122.1420 3978.666       140.9087 3758.477       244.9563 181.2296 3.213708 175.8724 5.756900 5.357254       6.593164 
1 1 1 3   5  16 o 120.6139 2.879070 1853.069       71.41436 1940.682       82.81927 1599.048       141.0203 126.5639 2.704701 114.6639 5.083381 11.90001       5.758140 
1 1 1 3   5  17 o 148.8651 3.181223 2714.467       106.5695 2742.252       129.2831 2655.562       188.2402 150.2472 3.556583 147.4831 5.275551 2.764069       6.362446 
1 1 1 3   5  18 o 85.92683 2.783214 850.9914       47.23427 817.3907       52.72769 987.5074       106.2813 82.05274 2.656094 89.80091 4.891859 -7.748169      5.566427 
1 1 1 3   5  19 o 34.71478 3.593200 148.0302       30.12800 156.8409       44.18811 140.3763       41.18509 35.67222 5.120037 33.75733 5.042774 1.914886       7.186400 
1 1 1 3   5  20 o 29.39537 4.226337 112.0003       29.03371 98.93612       40.75673 125.4605       41.36987 27.53880 6.259147 31.25193 5.680737 -3.713129      8.452674 
1 1 1 3   7  0  o 520.4073 6.537158 32699.79       820.4557 34408.10       1220.203 31290.11       1108.433 532.7367 9.467101 508.0781 9.017302 24.65863       13.07432 
1 1 1 3   7  1  o 296.3153 3.963095 10578.04       283.1352 11229.55       422.2279 10045.70       381.6649 304.5608 5.730211 288.0698 5.476236 16.49094       7.926189 
1 1 1 3   7  2  o 476.6929 6.020346 27530.59       694.2977 27399.79       976.7629 27664.18       987.0888 475.5506 8.489656 477.8353 8.538384 -2.284637      12.04069 
1 1 1 3   7  3  o 775.8057 9.589168 73054.34       1799.791 73413.84       2557.714 72701.74       2533.044 777.6898 13.59387 773.9217 13.52831 3.768066       19.17834 
1 1 1 3   7  4  f 410.7845 5.253571 20421.35       521.9547 20755.46       749.6831 20107.03       727.1435 414.0414 7.483963 407.5276 7.374980 6.513824       10.50714 
1 1 1 3   7  5  o 604.2582 7.525094 44217.64       1099.768 44875.55       1579.207 43598.11       1532.458 608.6138 10.72494 599.9025 10.55859 8.711243       15.05019 
1 1 1 3   7  6  o 672.6335 8.344531 54778.26       1356.786 56137.85       1968.219 53547.17       1872.898 680.5615 11.95374 664.7055 11.64615 15.85596       16.68906 
1 1 1 3   7  7  o 726.7550 8.992907 64056.77       1581.213 64098.14       2237.325 64015.48       2235.022 726.9891 12.72034 726.5209 12.71544 0.4682007      17.98581 
1 1 1 3   7  8  o 671.1898 8.333271 54643.33       1352.848 53943.78       1887.421 55382.48       1940.098 666.7878 11.69981 675.5917 11.86963 -8.803833      16.66654 
1 1 1 3   7  9  o 202.8994 2.994145 4982.547       146.9684 5048.774       209.3564 4918.199       206.3653 204.2285 4.237090 201.5704 4.231629 2.658081       5.988290 
1 1 1 3   7  10 o 464.7267 5.890541 26212.21       662.1911 26512.42       946.9315 25924.90       926.3665 467.3214 8.375303 462.1320 8.285419 5.189362       11.78108 
1 1 1 3   7  11 f 211.7032 3.083339 5426.904       157.8947 5363.583       220.6986 5493.296       225.9890 210.4400 4.334797 212.9664 4.386053 -2.526382      6.166679 
1 1 1 3   7  12 o 98.19329 3.212710 1167.299       76.32305 1167.299       76.32305 0.000000       0.000000 98.19329 3.212710 ?        ?        ?              ?        
1 1 1 3   7  13 o 201.5885 3.533498 4802.042       143.7467 4704.261       162.4290 5155.265       308.7176 197.0974 3.406281 206.0795 6.191904 -8.982071      7.066995 
1 1 1 3   7  14 o 224.1815 3.773421 6077.479       175.1004 6057.588       200.8817 6140.393       357.2662 223.6039 3.713288 224.7590 6.570109 -1.155090      7.546843 
1 1 1 3   7  15 o 98.94064 2.956063 1195.353       57.05519 1200.827       64.04519 1174.301       125.5944 99.57626 2.658450 98.30503 5.280708 1.271225       5.912126 
1 1 1 3   7  16 o 136.1445 2.981376 2319.051       83.72002 2384.696       96.69794 2122.546       167.3031 140.2660 2.849460 132.0230 5.237841 8.243011       5.962751 
1 1 1 3   7  17 o 78.32990 3.004081 728.3354       45.30520 716.2159       50.38271 779.5360       103.5561 76.83495 2.710319 79.82484 5.362107 -2.989891      6.008163 
1 1 1 3   7  18 o 35.32640 5.306217 160.9276       32.40614 162.1855       34.99620 153.3611       85.83324 36.44988 3.968465 34.20291 9.842511 2.246971       10.61243 
1 1 1 3   7  19 o 30.24162 5.471247 134.5175       33.60140 145.8069       36.25111 65.65140       89.53417 34.45724 4.348490 26.02600 10.04135 8.431236       10.94249 
1 1 1 3   7  20 o 49.76173 4.359448 290.8121       37.73664 281.6465       40.77605 345.5086       99.61017 47.91602 3.517403 51.60744 7.977908 -3.691422      8.718896 
1 1 1 3   9  0  o 125.0852 2.398250 1887.235       72.46590 1774.915       99.33653 2015.002       105.9471 121.1192 3.389953 129.0511 3.393321 -7.931946      4.796499 
1 1 1 3   9  1  o 585.5443 7.309239 41484.26       1034.279 40379.86       1422.366 42723.43       1506.653 577.3004 10.18374 593.7883 10.48768 -16.48792      14.61848 
1 1 1 3   9  2  o 713.6718 8.837095 61578.45       1522.386 59364.90       2070.928 64181.21       2245.624 699.7889 12.23195 727.5547 12.75760 -27.76581      17.67419 
1 1 1 3   9  3  o 521.5729 6.555163 32793.17       824.1586 31277.47       1109.864 34656.35       1230.525 508.2149 9.026517 534.9308 9.508030 -26.71588      13.11033 
1 1 1 3   9  4  o 153.3947 2.608079 2844.962       96.75565 2920.994       139.1224 2773.737       134.6533 155.3782 3.700879 151.4112 3.675841 3.967010       5.216159 
1 1 1 3   9  5  o 762.5026 9.424091 70461.34       1737.519 71934.31       2509.334 69104.67       2408.228 770.1318 13.46763 754.8734 13.18624 15.25836       18.84818 
1 1 1 3   9  6  o 349.8670 4.570603 14817.66       386.8786 14783.41       545.7148 14852.27       548.5541 349.4608 6.454534 350.2732 6.473069 -0.8123169     9.141206 
1 1 1 3   9  7  o 584.9180 7.306653 41467.60       1033.605 40843.55       1438.426 42133.82       1486.222 580.3821 10.24404 589.4539 10.42153 -9.071838      14.61331 
1 1 1 3   9  8  o 410.7861 5.264808 20452.54       523.2393 20468.43       740.5264 20436.70       739.4189 410.9452 7.448252 410.6271 7.442873 0.3180542      10.52962 
1 1 1 3   9  9  o 169.0190 2.707751 3456.350       110.6819 3394.296       153.9333 3522.772       159.2581 167.4501 3.799659 170.5879 3.858790 -3.137726      5.415503 
1 1 1 3   9  10 f 322.0999 4.259642 12578.19       331.9440 12577.88       468.8795 12578.50       470.0018 322.0968 6.016898 322.1031 6.031179 -0.6317139E-02 8.519283 
1 1 1 3   9  11 o 169.0136 2.714635 3459.030       110.9984 3503.064       157.6937 3415.789       156.2668 170.0800 3.832294 167.9473 3.845843 2.132690       5.429271 
1 1 1 3   9  12 o 171.1924 2.752477 3540.095       113.8419 3748.626       166.3450 3356.381       156.1334 175.9206 3.908325 166.4642 3.876793 9.456390       5.504955 
1 1 1 3   9  13 o 117.9812 3.473244 1685.888       99.14037 0.000000       0.000000 1685.888       99.14037 ?        ?        117.9812 3.473244 ?              ?        
1 1 1 3   9  14 o 18.41873 5.389751 16.28718       35.01155 -16.06187      74.87397 25.33992       39.60866 19.32040 8.445392 17.51706 6.698734 1.803341       10.77950 
1 1 1 3   9  15 o 84.24795 2.771140 859.9387       56.48332 859.9387       56.48332 0.000000       0.000000 84.24795 2.771140 ?        ?        ?              ?        
1 1 1 3   9  16 o 60.52858 3.944469 485.2822       42.85755 506.6863       47.49962 391.5526       99.39856 64.62670 3.037917 56.43046 7.280550 8.196243       7.888939 
1 1 1 3   9  17 o 50.19983 3.851410 232.2949       36.75743 193.7583       39.84618 452.3498       95.21723 39.85886 4.131992 60.54079 6.500775 -20.68193      7.702820 
1 1 1 3   9  18 o 110.3160 3.099464 1568.311       68.62578 1637.387       78.75451 1350.387       139.8832 116.0383 2.805252 104.5938 5.527862 11.44446       6.198927 
1 1 1 3   9  19 o 102.4625 2.896955 1279.915       71.81400 1279.915       71.81400 0.000000       0.000000 102.4625 2.896955 ?        ?        ?              ?        
1 1 1 3   9  20 o 22.79625 6.354370 37.84796       37.18417 30.31814       39.85559 88.43546       103.3044 17.68821 6.730222 27.90430 10.78036 -10.21609      12.70874 
1 1 1 3   11 0  o 479.9730 6.071261 27881.31       704.7327 27418.11       980.0646 28377.23       1014.091 475.8514 8.512969 484.0947 8.658535 -8.243317      12.14252 
1 1 1 3   11 1  o 308.4174 4.126178 11491.29       307.5120 11111.06       422.3901 11920.10       448.5644 303.0004 5.761933 313.8344 5.907749 -10.83398      8.252356 
1 1 1 3   11 2  o 658.8962 8.189637 52491.88       1303.033 54563.13       1915.262 50707.02       1777.926 670.9446 11.79884 646.8479 11.36081 24.09674       16.37927 
1 1 1 3   11 3  o 247.1181 3.477738 7385.294       207.8454 7225.027       289.1235 7556.699       299.0009 244.3459 4.890756 249.8904 4.945619 -5.544495      6.955476 
1 1 1 3   11 4  o 459.2058 8.243291 25537.62       915.8204 0.000000       0.000000 25537.62       915.8204 ?        ?        459.2058 8.243291 ?              ?        
1 1 1 3   11 5  f 556.6871 9.881207 37559.86       1330.833 0.000000       0.000000 37559.86       1330.833 ?        ?        556.6871 9.881207 ?              ?        
1 1 1 3   11 6  o 440.2917 6.865462 23574.11       692.2131 23705.72       852.5278 23319.46       1185.861 442.2888 7.967100 438.2946 11.18318 3.994202       13.73092 
1 1 1 3   11 7  o 327.6157 4.328745 12936.33       341.8273 12276.23       459.9598 13750.64       510.8724 318.3402 5.972085 336.8911 6.267881 -18.55081      8.657490 
1 1 1 3   11 8  o 272.4986 4.592474 8912.818       281.8010 8762.587       339.6774 9244.497       504.7144 268.9548 5.220174 276.0424 7.557317 -7.087524      9.184947 
1 1 1 3   11 9  o 394.8841 5.102218 18913.51       487.2669 18563.21       677.8450 19288.08       700.9338 391.1118 7.163531 398.6564 7.267348 -7.544647      10.20444 
1 1 1 3   11 10 o 315.1151 5.131038 12101.29       370.8029 11921.48       632.5644 12195.43       457.6832 313.1293 8.349851 317.1009 5.965752 -3.971588      10.26208 
1 1 1 3   11 11 o 214.9783 3.860292 5570.851       188.1855 5701.368       331.5237 5508.804       228.5807 216.7333 6.322467 213.2234 4.431007 3.509918       7.720584 
1 1 1 3   11 12 o 232.2996 4.072617 6561.417       216.6553 6510.411       371.3956 6587.729       266.7453 231.4915 6.631312 233.1077 4.729748 -1.616211      8.145233 
1 1 1 3   11 13 o 210.8712 3.144152 5392.161       160.4048 5385.716       226.2046 5398.679       227.4942 210.7457 4.436500 210.9968 4.456482 -0.2511597     6.288304 
1 1 1 3   11 14 o 232.7198 3.353566 6568.637       188.6510 6805.546       273.9279 6354.898       260.1877 236.6972 4.783446 228.7423 4.701517 7.954910       6.707131 
1 1 1 3   11 15 o 110.2050 2.496109 1467.708       66.40286 1603.822       97.44009 1349.684       90.73380 114.9579 3.503456 105.4521 3.556407 9.505768       4.992218 
1 1 1 3   11 16 o 22.34238 5.397880 50.97810       34.76348 82.93873       56.99725 32.04630       43.86742 25.92862 8.150850 18.75614 7.078987 7.172482       10.79576 
1 1 1 3   11 17 o 28.35230 6.151174 105.8019       43.06822 116.5338       48.68647 67.18620       92.35290 30.05386 6.848479 26.65075 10.21989 3.403112       12.30235 
1 1 1 3   11 18 o 22.77943 6.083728 28.36436       37.78244 10.75936       41.75851 107.8287       88.71826 16.02044 6.621841 29.53842 10.20775 -13.51798      12.16746 
1 1 1 3   11 19 o 22.86788 5.829979 63.71942       40.78064 84.27227       44.55822 -42.30815      101.2048 25.30397 7.027784 20.43179 9.304025 4.872187       11.65996 
1 1 1 3   11 20 o 90.04816 3.388216 993.6820       60.47913 977.2433       68.05356 1055.443       131.9090 89.19414 3.153641 90.90218 5.997883 -1.708046      6.776433 
1 1 1 3   13 0  o 560.0583 7.023276 37968.95       950.7510 38984.48       1381.044 37054.05       1310.832 567.1550 10.06476 552.9616 9.798277 14.19336       14.04655 
1 1 1 3   13 1  o 449.3351 5.724704 24446.23       622.1795 24791.16       892.0989 24119.56       868.1779 452.4164 8.150276 446.2538 8.041265 6.162598       11.44941 
1 1 1 3   13 2  o 594.2367 7.425156 42788.11       1066.968 43611.96       1538.382 42024.48       1481.089 599.7317 10.60242 588.7418 10.39810 10.98993       14.85031 
1 1 1 3   13 3  o 189.7932 2.991534 4356.701       137.2998 4276.590       190.6497 4443.016       197.8955 187.9825 4.191952 191.6038 4.269033 -3.621246      5.983068 
1 1 1 3   13 4  o 367.3854 4.801314 16107.30       422.0123 14824.16       549.4982 17952.39       658.9258 349.8360 6.492314 384.9349 7.075333 -35.09894      9.602629 
1 1 1 3   13 5  o 263.1129 3.662039 8381.114       233.0800 8509.300       333.0918 8258.131       326.2642 265.0829 5.193738 261.1429 5.164031 3.939941       7.324079 
1 1 1 3   13 7  o 278.3039 3.807801 9354.640       255.8371 9833.855       377.1807 8946.297       348.1742 284.8764 5.472560 271.7313 5.296081 13.14511       7.615602 
1 1 1 3   13 8  o 167.7178 3.360932 3396.225       128.7954 3443.189       223.0416 3372.731       157.7551 168.5439 5.469789 166.8917 3.907027 1.652252       6.721863 
1 1 1 3   13 9  o 202.9143 3.065641 4987.847       150.4993 5007.407       213.1494 4968.399       212.5282 203.3112 4.333319 202.5174 4.337623 0.7937469      6.131282 
1 1 1 3   13 10 f 23.55919 5.231577 60.38832       35.90114 103.2098       51.69069 20.48174       49.90038 28.61131 7.408855 18.50708 7.388265 10.10423       10.46315 
1 1 1 3   13 11 o 82.03857 2.719837 811.2010       53.84349 878.3486       79.64821 754.6887       73.06889 85.14855 3.866308 78.92858 3.826449 6.219971       5.439673 
1 1 1 3   13 12 o 47.82497 3.901611 280.4528       44.44727 223.8445       62.78126 337.3384       62.93487 42.92078 6.045887 52.72916 4.933307 -9.808376      7.803222 
1 1 1 3   13 13 f 240.5980 3.447607 7018.257       200.4579 7309.263       292.0953 6759.185       275.6035 245.2940 4.921928 235.9019 4.828932 9.392105       6.895213 
1 1 1 3   13 14 o 192.2285 2.996984 4487.960       139.3497 4572.410       199.6885 4407.799       194.5523 193.9871 4.254787 190.4698 4.221900 3.517349       5.993968 
1 1 1 3   13 15 o 39.78570 4.151713 193.6221       39.92559 202.4733       57.99427 185.6475       55.04752 40.64624 5.897426 38.92516 5.845276 1.721077       8.303426 
1 1 1 3   13 16 o 72.91210 2.833955 647.7529       49.93097 666.6471       72.78522 630.9572       68.62443 73.90507 4.070677 71.91914 3.943955 1.985931       5.667910 
1 1 1 3   13 17 o 43.63705 4.166062 228.3706       41.61834 327.3103       66.26828 163.9305       53.48092 51.48984 5.319635 35.78427 6.412938 15.70557       8.332124 
1 1 1 3   13 18 o 32.35644 5.793746 163.6295       43.28485 188.7566       47.93553 52.65913       100.7371 39.00335 5.079878 25.70952 10.41464 13.29383       11.58749 
1 1 1 3   13 19 o 40.37790 6.013014 272.1074       48.71347 310.5434       54.75641 126.2344       106.6726 49.97112 4.529118 30.78469 11.14058 19.18643       12.02603 
1 1 1 3   13 20 o 40.52460 7.469939 244.9027       71.83776 229.8632       89.66377 271.8620       120.0479 39.60505 9.483165 41.44416 11.54424 -1.839111      14.93988 
1 1 1 3   15 0  o 294.8056 4.009969 10470.26       284.9406 9905.614       383.3347 11167.47       425.9613 285.9799 5.540390 303.6313 5.798575 -17.65140      8.019938 
1 1 1 3   15 1  o 249.4400 3.539775 7534.090       213.6109 7489.900       300.3306 7579.333       303.8837 248.7006 4.991378 250.1795 5.020575 -1.478882      7.079549 
1 1 1 3   15 2  o 165.6236 2.816684 3319.824       112.8452 3410.372       160.8757 3232.122       158.3290 167.8469 3.961641 163.4003 4.005026 4.446548       5.633368 
1 1 1 3   15 3  o 205.2701 3.129619 5100.741       155.4015 5035.536       217.4932 5168.751       222.1216 203.9309 4.408190 206.6093 4.443638 -2.678345      6.259237 
1 1 1 3   15 4  o 363.2576 4.756258 15996.81       417.9258 15801.23       584.1489 16201.89       598.1733 360.9885 6.688486 365.5267 6.764031 -4.538208      9.512516 
1 1 1 3   15 5  o 171.4499 2.856470 3558.494       118.4730 3496.135       166.1137 3623.050       169.0163 169.9215 4.040682 172.9783 4.038635 -3.056793      5.712940 
1 1 1 3   15 6  o 145.2838 2.695358 2555.034       94.72507 2617.420       135.2068 2494.896       132.7500 147.0255 3.801050 143.5422 3.822543 3.483215       5.390716 
1 1 1 3   15 7  o 64.48450 3.049592 503.6921       47.50554 541.2968       67.81934 467.4665       66.56419 66.84985 4.193250 62.11915 4.429073 4.730701       6.099184 
1 1 1 3   15 8  o 185.5398 2.965505 4170.264       133.1173 4160.309       187.7984 4180.317       188.7176 185.3176 4.188639 185.7620 4.199070 -0.4444427     5.931011 
1 1 1 3   15 9  o 212.4339 3.184186 5466.806       163.6129 5576.989       234.5875 5362.443       228.3075 214.5158 4.520050 210.3521 4.486123 4.163742       6.368371 
1 1 1 3   15 10 o 146.7721 2.738616 2610.000       97.24664 2617.500       137.4504 2602.485       137.6048 146.9837 3.865224 146.5606 3.880735 0.4230957      5.477232 
1 1 1 3   15 11 o 45.77578 6.080848 254.6991       67.34451 254.6991       67.34451 0.000000       0.000000 45.77578 6.080848 ?        ?        ?              ?        
1 1 1 3   15 12 o 37.32315 4.967294 174.4574       43.55842 136.3311       61.09113 213.8835       62.12367 32.74128 7.819772 41.90501 6.127578 -9.163734      9.934588 
1 1 1 3   15 13 o 115.9026 2.658708 1625.162       74.42431 1739.688       109.0733 1525.390       101.8058 119.7095 3.766062 112.0956 3.753891 7.613922       5.317417 
1 1 1 3   15 14 o 47.00817 4.093006 269.8784       45.40620 356.6992       67.03691 196.2831       61.72020 54.03745 5.127632 39.97889 6.381080 14.05856       8.186012 
1 1 1 3   15 15 o 39.32301 4.762681 195.0844       44.06890 185.5697       64.66010 203.3377       60.22199 38.04664 7.289924 40.59937 6.131031 -2.552734      9.525362 
1 1 1 3   15 16 f 41.21083 4.626531 204.1435       44.02444 279.3866       71.33327 157.8517       55.95141 47.42321 6.217258 34.99845 6.853092 12.42476       9.253062 
1 1 1 3   15 17 o 65.04746 3.266499 513.7787       50.96803 590.3289       78.54041 458.0897       66.98920 69.14525 4.694923 60.94967 4.542879 8.195576       6.532997 
1 1 1 3   15 18 o 111.5613 2.750143 1519.469       73.74425 1665.315       112.3894 1409.206       97.72226 116.1556 3.999290 106.9669 3.776085 9.188736       5.500285 
1 1 1 3   15 19 o 21.61050 5.725998 25.16912       44.04162 111.1365       71.50060 -27.38844      55.90625 28.17701 9.158326 15.04400 6.875556 13.13301       11.45200 
1 1 1 3   15 20 f 22.19971 6.832805 14.50549       75.36874 84.66389       93.06333 -119.2148      128.4805 25.33881 10.09786 19.06063 9.207726 6.278181       13.66561 
1 1 1 3   17 0  o 137.3026 3.850437 2282.616       127.9060 0.000000       0.000000 2282.616       127.9060 ?        ?        137.3026 3.850437 ?              ?        
1 1 1 3   17 1  o 244.8073 3.508685 7254.813       207.7013 7075.949       288.0329 7448.574       299.7876 241.6692 4.926272 247.9453 4.997531 -6.276062      7.017370 
1 1 1 3   17 2  f 260.4529 3.664400 8220.481       230.9049 8216.908       326.8954 8224.040       326.2035 260.3958 5.188866 260.5100 5.175613 -0.1141968     7.328800 
1 1 1 3   17 3  o 238.9655 4.868814 6919.142       281.4886 6919.142       281.4886 0.000000       0.000000 238.9655 4.868814 ?        ?        ?              ?        
1 1 1 3   17 4  o 228.3015 3.354048 6314.294       185.2425 6403.905       264.1232 6227.542       259.8735 229.8950 4.748701 226.7081 4.737974 3.186905       6.708096 
1 1 1 3   17 5  o 143.2684 2.792750 2480.173       96.66447 2670.165       140.2804 2308.392       133.3882 148.4826 3.904983 138.0542 3.993610 10.42845       5.585500 
1 1 1 3   17 6  f 283.5301 3.907603 9742.793       267.9319 9967.445       385.9070 9533.720       372.2859 286.6785 5.563975 280.3817 5.488133 6.296875       7.815205 
1 1 1 3   17 7  o 135.5236 2.741424 2223.668       89.85852 2271.074       129.0587 2179.064       125.1880 136.9239 3.895881 134.1233 3.857945 2.800568       5.482849 
1 1 1 3   17 8  o 157.3404 2.842852 2998.601       108.1983 2926.882       151.5440 3073.173       154.5308 155.4214 4.030191 159.2594 4.010585 -3.838028      5.685704 
1 1 1 3   17 9  o 78.48869 3.184553 750.5092       60.15296 670.5248       85.85685 827.6242       84.30270 74.35046 4.772974 82.62692 4.217136 -8.276466      6.369106 
1 1 1 3   17 10 o 154.7410 2.841072 2903.653       106.3626 2894.853       150.2716 2912.487       150.5676 154.5058 4.020033 154.9761 4.015730 -0.4702911     5.682143 
1 1 1 3   17 11 o 229.8795 3.380504 6396.958       187.5728 6797.124       277.0920 6058.485       254.8390 236.4749 4.843248 223.2841 4.717434 13.19081       6.761009 
1 1 1 3   17 12 o 41.75840 4.879951 218.2549       47.85627 200.0486       69.68157 234.5090       65.83970 39.72349 7.526005 43.79332 6.214091 -4.069832      9.759902 
1 1 1 3   17 13 f 54.83436 3.889419 367.1893       51.16321 436.1312       74.55351 305.8174       70.34147 59.72672 5.159376 49.94201 5.821610 9.784710       7.778837 
1 1 1 3   17 14 o 71.66750 3.245615 625.2170       56.08607 667.2071       83.61422 590.8705       75.62197 73.82749 4.681227 69.50751 4.496907 4.319977       6.491230 
1 1 1 3   17 15 o 53.19191 4.054311 351.3023       51.90133 337.7527       76.50801 362.8537       70.64161 52.16772 6.061815 54.21609 5.385551 -2.048363      8.108623 
1 1 1 3   17 16 o 51.36442 4.245805 319.4674       51.63119 430.3321       80.65820 242.5030       67.20428 58.76727 5.672973 43.96157 6.318608 14.80569       8.491610 
1 1 1 3   17 17 o 66.55524 3.546864 537.7507       56.21484 640.4117       89.73731 471.4435       72.11918 71.57433 5.182191 61.53614 4.844157 10.03819       7.093727 
1 1 1 3   17 18 o 49.75453 4.827283 318.9415       56.79950 342.9504       91.59189 303.9389       72.40274 50.91809 7.435029 48.59098 6.158813 2.327110       9.654566 
1 1 1 3   17 19 o 29.39359 6.696495 122.7886       53.26535 172.0698       87.20569 93.46156       67.27258 33.18300 10.02011 25.60419 8.886480 7.578817       13.39299 
1 1 1 3   19 0  o 219.4477 3.306197 5815.057       175.1688 5518.163       238.4960 6162.815       258.1182 213.3923 4.619553 225.5031 4.731118 -12.11075      6.612393 
1 1 1 3   19 1  o 330.6450 4.420047 13197.77       352.2240 12512.17       473.6034 14046.31       526.8858 321.1135 6.096127 340.1766 6.401913 -19.06308      8.840094 
1 1 1 3   19 2  o 221.8776 3.332878 5956.927       178.7360 5756.385       246.2074 6180.375       259.8888 217.9397 4.669413 225.8155 4.756983 -7.875763      6.665756 
1 1 1 3   19 3  o 338.4440 4.512840 13860.24       368.6490 13280.99       500.8996 14544.79       544.5251 330.7772 6.259114 346.1108 6.502800 -15.33365      9.025681 
1 1 1 3   19 4  o 254.0704 3.629090 7822.125       222.9679 8009.523       321.5167 7648.500       309.4763 256.9951 5.171022 251.1457 5.093300 5.849380       7.258180 
1 1 1 3   19 5  o 218.4935 3.309035 5786.427       174.9046 5892.348       249.1115 5683.445       245.6302 220.4661 4.670352 216.5208 4.688994 3.945251       6.618071 
1 1 1 3   19 6  o 101.2968 3.027223 1249.253       73.65417 1425.135       104.3461 1074.602       103.9803 108.4480 3.976972 94.14553 4.565087 14.30244       6.054447 
1 1 1 3   19 7  f 96.22925 3.018739 1125.211       70.11247 1199.463       98.34902 1048.478       99.97910 99.47364 4.086577 92.98486 4.444211 6.488777       6.037477 
1 1 1 3   19 8  o 111.9983 2.825012 1521.070       76.54680 1522.619       107.9779 1519.506       108.5313 112.0564 3.982866 111.9402 4.007438 0.1162491      5.650024 
1 1 1 3   19 9  f 279.6242 3.884513 9508.935       262.6978 9338.307       365.5727 9691.116       377.7480 277.0435 5.454105 282.2049 5.532676 -5.161469      7.769026 
1 1 1 3   19 10 o 79.72937 3.169218 772.3414       61.06627 823.7766       87.48029 723.4575       85.28310 82.32468 4.392157 77.13406 4.569982 5.190620       6.338436 
1 1 1 3   19 11 f 117.1703 2.839183 1646.025       79.84879 1868.363       122.6770 1482.591       105.1783 123.9250 4.091682 110.4156 3.937255 13.50945       5.678366 
1 1 1 3   19 12 o 35.74630 5.900016 159.7985       49.03833 194.7026       80.07494 138.8524       62.03113 38.71706 8.753942 32.77553 7.912601 5.941532       11.80003 
1 1 1 3   19 13 o 90.09612 4.510069 993.8184       98.30862 993.8184       98.30862 0.000000       0.000000 90.09612 4.510069 ?        ?        ?              ?        
1 1 1 3   19 14 o 38.33359 5.587496 192.7593       49.91409 185.1728       73.98100 199.0982       67.62482 37.47497 8.370961 39.19221 7.403206 -1.717239      11.17499 
1 1 1 3   19 15 o 28.77685 5.272109 66.96237       51.75611 236.3998       76.41441 -76.64655      70.34954 42.42521 7.729513 15.12849 7.171830 27.29672       10.54422 
1 1 1 3   19 16 o 105.4460 3.077184 1365.644       78.14062 1552.832       116.5681 1212.886       105.3035 111.9790 4.302698 98.91308 4.400346 13.06593       6.154369 
1 1 1 3   19 17 o 47.47162 5.336850 299.3335       61.26272 294.6005       87.50884 303.8827       85.79375 47.02167 7.692218 47.92156 7.399841 -0.8998909     10.67370 
1 1 1 3   19 18 o 19.20263 6.069319 -2.980676      57.57729 -9.474699      85.79077 2.341721       77.66713 19.28408 8.695017 19.12118 8.470137 0.1629009      12.13864 
1 1 1 3   21 0  o 220.2033 3.339256 5873.140       177.7693 6059.316       257.5148 5703.644       245.7081 223.5286 4.761753 216.8779 4.682758 6.650696       6.678512 
1 1 1 3   21 1  o 202.8468 3.196980 4988.051       156.8781 5041.230       223.9051 4936.772       219.8681 203.9069 4.538683 201.7868 4.503675 2.120026       6.393961 
1 1 1 3   21 2  o 66.51115 3.636292 537.0508       58.21624 539.5518       78.57487 534.0073       86.68113 66.69342 4.869658 66.32887 5.401565 0.3645477      7.272583 
1 1 1 3   21 3  o 103.4441 3.004753 1297.027       75.14602 1289.820       104.1860 1304.842       108.4896 103.1486 4.174877 103.7396 4.322565 -0.5909348     6.009506 
1 1 1 3   21 4  o 83.59050 3.257810 847.6304       65.86721 821.4025       92.73230 874.3365       93.57401 82.28285 4.658213 84.89815 4.555696 -2.615295      6.515621 
1 1 1 3   21 5  o 116.9311 4.122357 1658.304       116.6213 0.000000       0.000000 1658.304       116.6213 ?        ?        116.9311 4.122357 ?              ?        
1 1 1 3   21 6  o 65.64764 3.924392 529.5889       61.67144 596.8065       85.40868 456.3627       89.14438 70.07672 5.037627 61.21856 6.018782 8.858166       7.848784 
1 1 1 3   21 7  o 111.8610 3.654901 1527.063       92.70164 1536.064       113.0895 1508.626       161.8491 112.4776 4.155792 111.2444 6.013535 1.233231       7.309803 
1 1 1 3   21 8  o 156.1872 2.935105 2953.543       110.7008 3155.273       162.6614 2779.498       151.0876 161.1332 4.172509 151.2413 4.129107 9.891907       5.870210 
1 1 1 3   21 9  o 117.6754 2.943502 1679.240       83.55536 1871.784       121.7912 1508.032       114.8448 124.0434 4.058261 111.3075 4.264660 12.73586       5.887003 
1 1 1 3   21 10 o 107.2230 2.909289 1393.235       75.25467 1534.570       111.1788 1273.726       102.2352 112.2171 4.095063 102.2289 4.133560 9.988220       5.818579 
1 1 1 3   21 11 o 56.54161 4.220068 379.9788       56.64088 495.7357       90.16006 304.5069       72.80029 63.41296 5.876704 49.67027 6.058071 13.74270       8.440135 
1 1 1 3   21 12 o 130.5447 2.868509 2070.760       90.29016 2303.430       133.8843 1876.669       122.2821 137.2347 4.032399 123.8548 4.080824 13.37990       5.737017 
1 1 1 3   21 13 o 74.72173 3.560332 687.4999       64.20627 724.6456       94.92917 656.1791       87.16910 76.54666 5.125912 72.89680 4.942558 3.649864       7.120664 
1 1 1 3   21 14 o 26.71983 6.833650 85.10778       57.65525 56.95624       88.30553 106.0253       76.11871 24.91867 9.865952 28.52099 9.458227 -3.602322      13.66730 
1 1 1 3   21 15 o 57.31803 4.405337 417.8057       61.01498 395.2753       83.91015 443.0844       88.88066 55.68307 6.228580 58.95299 6.231594 -3.269924      8.810674 
1 1 1 3   21 16 o 77.53670 3.805358 772.5200       69.43864 991.4781       99.80671 567.1061       96.67052 88.78536 4.646395 66.28802 6.027770 22.49734       7.610716 
1 1 1 3   21 17 o 18.10982 5.908982 -60.22788      63.59542 26.76472       90.76414 -144.1220      89.13306 21.53236 9.357271 14.68728 7.218430 6.845080       11.81796 
1 1 1 3   23 0  o 72.21387 3.681164 634.2144       64.30983 633.1036       91.44872 635.3011       90.45509 72.14886 5.238969 72.27886 5.172725 -0.1299973     7.362328 
1 1 1 3   23 1  o 45.14620 5.378582 255.2218       56.93427 223.3569       81.78121 285.1902       79.31007 41.96143 8.349372 48.33098 6.782667 -6.369549      10.75716 
1 1 1 3   23 2  o 227.4710 3.419855 6282.161       188.0757 6499.080       272.2689 6084.188       260.1064 231.2150 4.867205 223.7270 4.805408 7.487991       6.839710 
1 1 1 3   23 3  o 147.8313 2.908002 2648.649       103.9075 2789.721       150.8053 2521.144       143.3712 151.5717 4.112409 144.0909 4.112663 7.480835       5.816004 
1 1 1 3   23 4  o 143.8826 2.877651 2501.654       99.90793 2706.312       147.8818 2329.806       135.5098 149.2649 4.095007 138.5003 4.044061 10.76457       5.755303 
1 1 1 3   23 5  o 49.72584 4.675723 303.8830       55.97582 290.1266       82.18476 315.7863       76.44955 48.63719 6.984262 50.81448 6.218492 -2.177292      9.351446 
1 1 1 3   23 6  o 104.7537 2.958609 1335.388       74.95033 1286.211       105.6841 1385.150       106.3102 102.8036 4.249122 106.7038 4.118062 -3.900223      5.917218 
1 1 1 3   23 7  o 75.10352 3.689170 684.4771       66.62469 800.6246       98.67825 587.1746       90.31882 80.94090 5.039078 69.26612 5.389582 11.67478       7.378340 
1 1 1 3   23 8  o 64.52252 4.105985 511.8050       63.73496 585.5604       91.71523 442.9229       88.63344 69.07340 5.488179 59.97163 6.108709 9.101768       8.211969 
1 1 1 3   23 9  o 74.71931 3.675188 686.9113       66.29683 735.5527       93.56493 637.8666       93.95201 77.42359 4.995023 72.01503 5.392381 5.408562       7.350376 
1 1 1 3   23 10 o 106.1947 3.100226 1380.933       79.61626 1437.471       114.3543 1327.746       110.9134 108.3088 4.364014 104.0806 4.404654 4.228249       6.200451 
1 1 1 3   23 11 o 118.0084 3.081441 1701.566       87.71712 1886.628       129.2929 1543.744       119.3985 123.9400 4.311825 112.0768 4.403327 11.86319       6.162883 
1 1 1 3   23 12 f 74.71782 3.715083 689.7377       66.93758 757.2397       99.53249 633.9972       90.44652 78.02656 5.272542 71.40908 5.235234 6.617477       7.430167 
1 1 1 3   23 13 o 47.25802 5.716897 303.0069       62.15844 242.1234       91.96656 354.2096       84.33858 41.83561 9.324389 52.68042 6.617207 -10.84481      11.43379 
1 1 1 3   23 14 o 81.20677 3.521720 823.1911       68.93783 911.2908       102.7493 751.0658       92.96845 85.12408 4.989121 77.28947 4.971792 7.834602       7.043440 
1 1 1 3   23 15 o 40.16124 6.843762 246.4608       66.19850 281.8696       87.72861 199.6391       100.8809 44.58426 8.442234 35.73821 10.77390 8.846054       13.68752 
1 1 1 3   23 16 o 71.44792 4.418353 678.0245       75.88323 602.1221       100.8348 777.1462       115.2303 66.91970 6.228082 75.97614 6.268840 -9.056442      8.836705 
1 1 1 3   25 0  o 65.19389 3.852730 520.8649       60.65796 552.3890       85.34331 488.6822       86.23019 67.21726 5.247910 63.17052 5.642124 4.046745       7.705460 
1 1 1 3   25 1  o 81.36135 3.471259 809.0020       68.23718 759.6353       96.36790 858.6442       96.63655 78.84751 5.051753 83.87519 4.762178 -5.027679      6.942517 
1 1 1 3   25 2  o 202.8072 3.240620 4969.008       158.1003 5494.268       239.7395 4564.773       210.3144 212.1638 4.670528 193.4506 4.493622 18.71321       6.481240 
1 1 1 3   25 3  o 52.28771 4.602215 340.9677       57.47115 290.7725       83.44599 386.2621       79.26782 48.48900 7.113117 56.08642 5.841669 -7.597420      9.204430 
1 1 1 3   25 4  o 163.7629 2.996503 3266.875       118.5701 3372.096       173.0410 3173.746       162.7945 166.2229 4.302845 161.3029 4.171528 4.920044       5.993006 
1 1 1 3   25 5  o 65.03817 4.003386 528.9126       61.87799 456.9027       92.28780 587.7241       83.40260 60.82684 6.271143 69.24950 4.978066 -8.422653      8.006771 
1 1 1 3   25 6  o 75.63507 3.631148 697.8434       66.21079 774.2401       98.48060 634.8254       89.44289 79.38776 5.127372 71.88239 5.143053 7.505363       7.262296 
1 1 1 3   25 7  o 106.8654 3.181496 1382.982       81.71962 1558.530       124.4972 1250.087       108.3218 112.7306 4.564736 101.0003 4.432929 11.73029       6.362992 
1 1 1 3   25 8  o 43.47525 6.323866 247.9156       65.44820 292.5612       92.82654 203.7834       92.29126 48.02873 7.988565 38.92177 9.805508 9.106956       12.64773 
1 1 1 3   25 9  o 31.78060 7.064504 133.9373       60.80045 147.2971       84.51635 119.6068       87.53262 33.11180 9.834279 30.44940 10.14474 2.662397       14.12901 
1 1 1 3   25 10 o 35.05196 7.095303 169.4422       63.23565 167.1504       91.07700 171.5753       87.86678 34.81233 10.17381 35.29160 9.892768 -0.4792633     14.19061 
1 1 1 3   25 11 o 46.34531 6.309272 298.3426       68.46226 173.2454       96.01984 427.6998       97.64103 34.98371 10.50319 57.70692 6.993621 -22.72322      12.61854 
1 1 1 3   25 12 o 44.26561 6.347335 270.7788       66.75664 206.1169       92.47559 341.1434       96.46714 37.78435 9.970910 50.74688 7.857200 -12.96253      12.69467 
1 1 1 3   25 13 o 40.86016 6.421026 245.1039       64.07773 165.7219       92.87140 317.2280       88.52401 33.12755 10.40286 48.59277 7.529863 -15.46523      12.84205 
1 1 1 3   25 14 o 26.04606 7.060744 91.77982       66.05583 136.0321       87.28590 32.46728       101.0530 29.52575 10.12947 22.56637 9.839215 6.959377       14.12149 
1 1 1 3   27 0  o 27.80886 7.017690 88.42638       60.25336 66.66882       87.65701 107.9143       82.95918 26.13301 9.972056 29.48471 9.876740 -3.351704      14.03538 
1 1 1 3   27 1  o 122.0179 3.028728 1818.045       89.26870 1923.605       130.7846 1725.967       122.1475 125.3135 4.313765 118.7224 4.252553 6.591148       6.057456 
1 1 1 3   27 2  f 95.80186 3.338156 1123.338       77.22755 1208.264       113.2858 1049.606       105.5559 99.17175 4.721557 92.43198 4.720174 6.739761       6.676312 
1 1 1 3   27 3  o 102.4950 3.253880 1299.211       80.07787 1194.677       117.5123 1389.835       109.4151 98.50384 4.930921 106.4862 4.246994 -7.982368      6.507760 
1 1 1 3   27 4  o 114.9305 3.114370 1615.086       86.31982 1707.682       128.4612 1538.859       116.5548 117.8814 4.504272 111.9797 4.302180 5.901733       6.228741 
1 1 1 3   27 5  o 81.66740 3.692886 821.6442       72.68417 868.7352       108.6659 783.5184       97.77624 83.72372 5.364661 79.61108 5.076419 4.112648       7.385771 
1 1 1 3   27 6  o 48.44942 5.793407 304.2671       64.43819 424.5592       95.94793 205.4317       86.97074 57.97546 6.840520 38.92339 9.352088 19.05207       11.58681 
1 1 1 3   27 7  o 24.24259 6.966392 37.59621       65.43761 79.38577       94.58305 -0.7724119     90.62907 27.08984 10.35342 21.39533 9.323577 5.694511       13.93278 
1 1 1 3   27 8  o 46.01459 8.115204 293.2378       92.19361 437.7157       143.2481 191.0767       120.4567 55.53926 11.04949 36.48992 11.88844 19.04935       16.23041 
1 1 1 3   27 9  o 82.93858 3.807879 864.5283       76.22157 950.7162       109.9908 784.8992       105.7230 87.00397 5.225346 78.87318 5.540355 8.130791       7.615758 
1 1 1 3   27 10 o 19.14297 6.165114 -49.70759      64.59959 -108.1127      88.29141 17.57920       94.76719 16.04846 7.722448 22.23747 9.612406 -6.189014      12.33023 
1 1 1 3   27 11 o 23.76610 6.798447 21.95033       67.96175 -74.50282      92.91872 132.9063       99.65987 17.51645 8.285825 30.01575 10.78057 -12.49930      13.59689 
1 1 1 3   27 12 o 21.50338 6.434956 -7.878551      68.37560 108.1512       91.84717 -152.1251      102.4080 27.11776 10.24113 15.88901 7.794473 11.22875       12.86991 
1 1 1 3   27 13 o 35.96491 7.629766 230.3101       72.10728 244.0790       96.06489 212.5414       109.1302 38.00780 10.22377 33.92202 11.32819 4.085789       15.25953 
1 1 1 3   29 0  o 39.56451 6.886419 214.8291       65.65086 252.6752       96.64330 182.3994       89.46083 42.87513 9.560364 36.25388 9.914156 6.621250       13.77284 
1 1 1 3   29 1  o 26.10741 6.531646 51.73943       60.66443 159.7125       88.23843 -45.03948      83.53923 33.98004 10.03789 18.23479 8.360051 15.74525       13.06329 
1 1 1 3   29 2  o 125.2514 3.083605 1919.997       92.95379 2147.930       140.3470 1741.879       124.0664 131.7812 4.401972 118.7216 4.319388 13.05963       6.167210 
1 1 1 3   29 3  o 31.15419 6.655198 104.9654       63.71717 241.2980       96.89980 1.114557       84.57232 41.59668 9.791205 20.71170 9.016592 20.88498       13.31040 
1 1 1 3   29 4  o 40.51500 6.876559 233.5497       66.29297 206.4493       102.5151 253.0276       86.91037 37.91967 10.70542 43.11034 8.633782 -5.190674      13.75312 
1 1 1 3   29 5  o 106.1128 4.403297 1398.690       111.5535 1734.682       174.1769 1165.021       145.2537 116.6882 6.169659 95.53743 6.284218 21.15080       8.806594 
1 1 1 3   29 6  o 42.32036 11.14407 267.1029       115.6770 0.000000       0.000000 267.1029       115.6770 ?        ?        42.32036 11.14407 ?              ?        
1 1 1 3   29 7  o 22.65619 7.187573 -18.91471      81.43486 40.72576       125.2267 -62.61749      107.1966 25.65070 11.06882 19.66167 9.172024 5.989029       14.37515 
1 1 1 3   29 8  o 55.60635 8.275060 489.1620       108.7889 532.3022       145.1054 433.7894       164.3955 60.61344 9.894924 50.59926 13.26638 10.01418       16.55012 
1 1 1 3   29 9  o 82.80650 5.838951 969.8487       115.8146 851.8739       166.0897 1081.499       161.5765 76.89278 8.928016 88.72023 7.527545 -11.82745      11.67790 
1 1 1 4   0  1  o 163.4371 2.540559 3236.653       141.9134 3236.653       141.9134 3236.653       141.9134 163.4371 3.592893 163.4371 3.592893 0.000000       0.000000 
1 1 1 4   0  2  o 277.6386 3.727456 9339.015       353.7989 9339.015       353.7989 9339.015       353.7989 277.6386 5.271419 277.6386 5.271419 0.000000       0.000000 
1 1 1 4   0  4  f 329.3306 4.307771 13140.39       485.0278 13140.39       485.0278 13140.39       485.0278 329.3306 6.092108 329.3306 6.092108 0.000000       0.000000 
1 1 1 4   0  5  o 219.9734 3.112724 5861.765       234.0645 5861.765       234.0645 5861.765       234.0645 219.9734 4.402057 219.9734 4.402057 0.000000       0.000000 
1 1 1 4   0  6  o 208.4393 2.998566 5263.011       213.6508 5263.011       213.6508 5263.011       213.6508 208.4393 4.240613 208.4393 4.240613 0.000000       0.000000 
1 1 1 4   0  7  o 10.41558 3.738292 19.23728       16.64952 19.23728       16.64952 19.23728       16.64952 10.41558 5.286743 10.41558 5.286743 0.000000       0.000000 
1 1 1 4   0  8  o 624.1962 7.763952 47216.84       1656.983 47216.84       1656.983 47216.84       1656.983 624.1962 10.97989 624.1962 10.97989 0.000000       0.000000 
1 1 1 4   0  9  o 159.7102 3.609183 3095.776       196.7674 3095.776       196.7674 3095.776       196.7674 159.7102 5.104156 159.7102 5.104156 0.000000       0.000000 
1 1 1 4   0  10 o 33.51263 2.651316 140.9168       29.42516 140.9168       29.42516 140.9168       29.42516 33.51263 3.749527 33.51263 3.749527 0.000000       0.000000 
1 1 1 4   0  11 f 139.6842 2.386827 2365.101       113.9232 2365.101       113.9232 2365.101       113.9232 139.6842 3.375483 139.6842 3.375483 0.000000       0.000000 
1 1 1 4   0  12 o 164.6770 2.609259 3286.875       146.8503 3286.875       146.8503 3286.875       146.8503 164.6770 3.690049 164.6770 3.690049 0.000000       0.000000 
1 1 1 4   0  13 o 347.3023 4.535100 14629.61       538.4902 14629.61       538.4902 14629.61       538.4902 347.3023 6.413600 347.3023 6.413600 0.000000       0.000000 
1 1 1 4   0  14 o 38.28937 3.052905 184.1637       38.68604 184.1637       38.68604 184.1637       38.68604 38.28937 4.317460 38.28937 4.317460 0.000000       0.000000 
1 1 1 4   0  15 o 96.79235 2.263037 1137.735       74.76060 1137.735       74.76060 1137.735       74.76060 96.79235 3.200417 96.79235 3.200417 0.000000       0.000000 
1 1 1 4   0  16 o 141.7877 2.471454 2439.103       119.7324 2439.103       119.7324 2439.103       119.7324 141.7877 3.495164 141.7877 3.495164 0.000000       0.000000 
1 1 1 4   0  17 o 39.20630 3.136042 193.4755       40.68051 193.4755       40.68051 193.4755       40.68051 39.20630 4.435033 39.20630 4.435033 0.000000       0.000000 
1 1 1 4   0  18 o 40.66536 3.089273 207.7196       41.72926 207.7196       41.72926 207.7196       41.72926 40.66536 4.368892 40.66536 4.368892 0.000000       0.000000 
1 1 1 4   0  19 o 8.711451 4.139606 -13.94060      35.00433 -13.94060      35.00433 -13.94060      35.00433 8.711451 5.854288 8.711451 5.854288 0.000000       0.000000 
1 1 1 4   0  20 o 11.76747 4.770180 22.04296       30.47659 22.04296       30.47659 22.04296       30.47659 11.76747 6.746053 11.76747 6.746053 0.000000       0.000000 
1 1 1 4   2  1  o 378.6902 5.964072 17429.06       517.1649 17263.53       886.4173 17514.48       636.7760 377.1776 9.713820 380.2029 6.922595 -3.025391      11.92814 
1 1 1 4   2  2  o 512.6745 12.91002 31969.07       1601.294 0.000000       0.000000 31969.07       1601.294 ?        ?        512.6745 12.91002 ?              ?        
1 1 1 4   2  4  o 259.2481 3.530896 8116.526       221.1146 7809.403       302.5136 8468.819       323.9971 253.9975 4.922812 264.4988 5.063085 -10.50130      7.061791 
1 1 1 4   2  5  o 227.2078 3.702077 6135.291       172.6395 6037.775       196.6676 6462.820       360.4293 223.3783 3.639062 231.0373 6.448157 -7.659058      7.404154 
1 1 1 4   2  6  o 494.9042 7.171525 29823.41       749.1036 29978.95       869.4651 29375.37       1475.655 497.6167 7.221958 492.1918 12.39219 5.424866       14.34305 
1 1 1 4   2  7  o 360.7135 5.370828 15866.10       410.1154 15990.21       477.0516 15514.58       802.8568 363.5028 5.424445 357.9243 9.271384 5.578552       10.74166 
1 1 1 4   2  8  o 613.4419 8.843973 45378.99       1126.894 45144.00       1294.255 46115.41       2291.207 610.5411 8.761989 616.3427 15.36525 -5.801575      17.68795 
1 1 1 4   2  9  o 383.6355 5.705185 17804.17       457.6551 17782.33       527.8010 17870.32       918.7317 383.2843 5.691764 383.9866 9.889408 -0.7023010     11.41037 
1 1 1 4   2  10 o 175.0237 3.133632 3730.760       114.6750 3753.345       132.4862 3663.296       228.9827 176.1165 3.109339 173.9308 5.441564 2.185715       6.267265 
1 1 1 4   2  11 o 268.4286 4.198369 8879.172       240.5907 9051.899       282.0381 8417.608       461.0434 273.4207 4.263577 263.4366 7.233749 9.984100       8.396738 
1 1 1 4   2  12 o 356.0002 5.348446 15456.04       400.8140 15525.81       464.5607 15252.83       792.7827 357.9129 5.364914 354.0875 9.254252 3.825470       10.69689 
1 1 1 4   2  13 o 123.5796 2.757421 1886.098       70.27293 1920.725       80.92207 1779.893       141.7193 125.9721 2.655158 121.1871 4.833594 4.784996       5.514843 
1 1 1 4   2  14 o 45.75214 3.306465 239.0561       29.14983 230.1542       32.27013 278.5247       67.94913 43.59921 3.059284 47.90507 5.862732 -4.305866      6.612931 
1 1 1 4   2  15 o 94.75916 2.251908 1075.993       51.24302 1280.275       76.60508 910.5607       68.93709 102.8163 3.079594 86.70206 3.286406 16.11420       4.503817 
1 1 1 4   2  16 o 165.1751 2.649239 3283.204       105.4294 3611.571       158.0539 3019.969       141.5131 172.5529 3.786001 157.7974 3.706761 14.75549       5.298479 
1 1 1 4   2  17 o 151.9236 2.552613 2798.981       93.75671 2915.642       135.6857 2692.384       129.7007 154.9473 3.619493 148.8998 3.600360 6.047455       5.105226 
1 1 1 4   2  18 o 44.48615 2.967171 242.9704       31.68267 210.4673       45.17945 274.4208       44.44178 41.51210 4.498461 47.46020 3.870433 -5.948097      5.934341 
1 1 1 4   2  19 f 97.98909 3.273423 1169.948       77.60364 0.000000       0.000000 1169.948       77.60364 ?        ?        97.98909 3.273423 ?              ?        
1 1 1 4   2  20 o 19.40375 6.595014 44.59590       36.99396 0.000000       0.000000 44.59590       36.99396 ?        ?        19.40375 6.595014 ?              ?        
1 1 1 4   4  0  o 479.5689 6.056253 27860.58       702.1201 27255.54       970.0011 28526.45       1017.604 474.1194 8.456335 485.0184 8.671979 -10.89899      12.11251 
1 1 1 4   4  1  o 206.9708 2.991693 5184.817       149.8039 5169.810       211.2198 5200.005       212.4954 206.6697 4.224308 207.2720 4.237469 -0.6022797     5.983387 
1 1 1 4   4  2  o 406.2119 5.196133 19988.63       510.5574 20234.30       731.0753 19754.74       713.3261 408.6434 7.394610 403.7803 7.301981 4.863129       10.39227 
1 1 1 4   4  3  o 519.8678 9.226553 32770.78       1160.472 32770.78       1160.472 0.000000       0.000000 519.8678 9.226553 ?        ?        ?              ?        
1 1 1 4   4  4  f 318.1560 4.190901 12188.78       321.3466 12986.08       480.7635 11544.90       432.0371 327.5035 6.067548 308.8084 5.782686 18.69513       8.381802 
1 1 1 4   4  5  o 226.7041 3.196744 6219.045       175.3293 6263.954       249.2298 6175.045       246.6958 227.5142 4.527819 225.8940 4.513929 1.620178       6.393489 
1 1 1 4   4  6  o 687.8951 8.519017 57356.30       1417.793 57440.03       2007.885 57273.04       2002.251 688.3949 12.05588 687.3954 12.03953 0.9994507      17.03803 
1 1 1 4   4  7  o 312.1569 4.123237 11788.97       311.3284 11969.07       446.0056 11617.83       434.7788 314.4805 5.861979 309.8333 5.800133 4.647186       8.246474 
1 1 1 4   4  8  o 223.7324 3.171942 6056.854       171.6891 6096.706       243.9978 6017.773       241.6295 224.4611 4.493062 223.0036 4.478533 1.457535       6.343884 
1 1 1 4   4  9  o 419.4940 6.135460 21656.63       551.6953 22055.37       648.0486 20606.78       1051.549 426.7951 6.276042 412.1929 10.54451 14.60220       12.27092 
1 1 1 4   4  10 o 514.2471 7.511175 31957.69       802.0656 31790.84       921.1647 32480.67       1630.877 512.0767 7.435324 516.4174 13.05324 -4.340637      15.02235 
1 1 1 4   4  11 o 229.8308 3.775992 6410.806       181.0160 6421.479       208.6633 6378.346       363.9005 230.3101 3.744819 229.3516 6.558108 0.9584503      7.551983 
1 1 1 4   4  12 o 268.5761 4.260165 8680.484       236.4146 8618.958       270.7359 8878.049       485.1435 266.7624 4.194874 270.3898 7.416134 -3.627411      8.520329 
1 1 1 4   4  13 o 102.2895 2.725326 1261.985       55.59415 1257.957       62.77866 1276.621       119.6786 101.9483 2.545245 102.6306 4.819889 -0.6822891     5.450651 
1 1 1 4   4  14 o 150.8622 3.015898 2883.296       96.29321 3032.939       113.3855 2496.133       182.3796 158.2731 2.961066 143.4512 5.254964 14.82185       6.031796 
1 1 1 4   4  15 o 203.7185 3.517849 5103.608       150.4273 5173.369       174.5060 4901.844       296.7725 206.6332 3.490664 200.8038 6.108709 5.829422       7.035699 
1 1 1 4   4  16 o 92.97861 2.876203 1054.660       51.65633 1058.226       57.77622 1040.452       115.3261 93.46777 2.554965 92.48946 5.153866 0.9783096      5.752407 
1 1 1 4   4  17 o 22.55132 5.406188 44.34844       26.92320 36.70388       29.14282 88.87567       70.33450 17.73165 5.851008 27.37100 9.092480 -9.639347      10.81238 
1 1 1 4   4  18 o 100.2558 2.314582 1214.099       55.92197 1371.404       82.79140 1082.113       75.83668 106.1953 3.222385 94.31624 3.323461 11.87910       4.629164 
1 1 1 4   4  19 o 81.89153 3.364447 817.7993       66.65842 0.000000       0.000000 817.7993       66.65842 ?        ?        81.89153 3.364447 ?              ?        
1 1 1 4   4  20 o 17.65731 4.258891 18.70930       27.47170 -38.18774      39.42929 72.38586       38.29715 11.73239 5.502026 23.58224 6.502331 -11.84985      8.517781 
1 1 1 4   6  0  o 387.9119 4.991105 18214.17       468.1292 18614.58       676.4641 17846.19       648.4909 391.9941 7.132848 383.8297 6.983337 8.164429       9.982210 
1 1 1 4   6  1  o 477.0982 6.028677 27549.61       695.0977 28409.96       1012.382 26782.31       956.0671 484.1215 8.643458 470.0750 8.406571 14.04654       12.05735 
1 1 1 4   6  2  o 268.1837 3.648479 8706.009       236.7214 8744.947       336.0979 8667.678       333.4668 268.7785 5.168553 267.5890 5.150887 1.189484       7.296957 
1 1 1 4   6  3  o 492.5863 6.206923 29397.06       739.6307 29126.17       1036.881 29677.69       1055.356 490.2797 8.741432 494.8929 8.814248 -4.613190      12.41385 
1 1 1 4   6  4  o 764.9445 9.464034 70910.60       1749.591 72961.57       2546.681 69077.30       2407.750 775.3712 13.57571 754.5178 13.18984 20.85333       18.92807 
1 1 1 4   6  5  o 578.4218 7.216753 40531.38       1009.917 40621.29       1431.496 40442.29       1425.003 579.0594 10.21797 577.7841 10.19408 1.275330       14.43351 
1 1 1 4   6  6  o 555.2285 6.940951 37339.00       932.3757 37402.34       1321.059 37276.13       1316.112 555.6970 9.826114 554.7601 9.805850 0.9369507      13.88190 
1 1 1 4   6  7  o 601.2170 7.491959 43791.18       1089.595 43325.94       1525.183 44276.14       1557.154 597.9613 10.54257 604.4727 10.64762 -6.511353      14.98392 
1 1 1 4   6  8  o 175.2070 2.730921 3714.495       115.7599 3718.285       163.3792 3710.674       164.0414 175.2969 3.852300 175.1171 3.871885 0.1797180      5.461842 
1 1 1 4   6  9  o 305.4529 4.062775 11293.54       300.1434 11114.24       418.0722 11484.25       431.1643 302.9544 5.703897 307.9514 5.787066 -4.996979      8.125550 
1 1 1 4   6  10 o 173.6151 2.721055 3648.193       114.2772 3614.316       159.9379 3683.528       163.3404 172.7925 3.825817 174.4376 3.870359 -1.645157      5.442110 
1 1 1 4   6  11 o 110.6513 2.289594 1480.916       61.25550 1451.563       84.84172 1512.880       88.53283 109.5076 3.202306 111.7950 3.273254 -2.287399      4.579187 
1 1 1 4   6  12 o 234.3771 3.846886 6778.800       191.4510 6913.790       223.8007 6410.470       369.6824 238.9337 3.871521 229.8204 6.648718 9.113342       7.693772 
1 1 1 4   6  13 o 284.3938 4.451622 9951.719       268.4731 10101.02       313.2288 9538.370       521.1805 288.7112 4.484311 280.0764 7.691470 8.634766       8.903244 
1 1 1 4   6  14 o 258.0489 4.164396 8037.052       222.1601 7992.751       254.5911 8178.465       454.8656 256.8147 4.097519 259.2831 7.251145 -2.468323      8.328792 
1 1 1 4   6  15 o 178.3588 3.304241 3852.385       120.7415 3844.743       137.9218 3877.454       249.8085 178.1385 3.200168 178.5790 5.781952 -0.4404602     6.608482 
1 1 1 4   6  16 o 158.3360 3.117008 3157.824       103.7689 3282.565       121.3556 2818.561       200.1348 164.5513 3.048289 152.1206 5.437912 12.43076       6.234016 
1 1 1 4   6  17 o 34.09779 5.129248 133.1572       30.12889 128.1521       32.37655 165.4967       82.29803 32.44442 4.124661 35.75115 9.392758 -3.306725      10.25850 
1 1 1 4   6  18 o 101.0754 3.045895 1338.697       60.78175 1415.536       69.58596 1091.374       124.8431 107.9589 2.664163 94.19193 5.478334 13.76701       6.091791 
1 1 1 4   6  19 o 48.93919 4.321309 298.2955       38.73717 298.4018       42.67994 297.7989       92.27702 49.42117 3.569509 48.45722 7.871051 0.9639473      8.642617 
1 1 1 4   6  20 o 81.43619 3.607302 813.8318       71.07261 0.000000       0.000000 813.8318       71.07261 ?        ?        81.43619 3.607302 ?              ?        
1 1 1 4   8  0  o 319.9195 4.232294 12371.00       327.2104 12768.64       476.6753 12016.66       449.9695 324.7707 6.066574 315.0684 5.903043 9.702332       8.464587 
1 1 1 4   8  1  o 324.4705 4.276454 12741.57       335.6521 12895.96       480.0129 12593.85       469.5283 326.3922 6.078701 322.5487 6.016780 3.843536       8.552909 
1 1 1 4   8  2  o 257.4258 3.548712 8017.563       220.9736 7912.653       308.8170 8127.638       316.3260 255.7012 4.991903 259.1504 5.045228 -3.449234      7.097424 
1 1 1 4   8  3  f 487.7524 6.153428 28808.82       726.0971 29015.36       1033.502 28607.51       1020.337 489.4770 8.727240 486.0278 8.677211 3.449127       12.30686 
1 1 1 4   8  4  o 869.0984 10.70497 91643.41       2250.844 92039.55       3197.025 91254.06       3169.501 870.9548 15.17218 867.2419 15.10596 3.712952       21.40993 
1 1 1 4   8  5  o 343.7794 4.508046 14290.38       374.6765 13956.81       518.0745 14656.16       542.5154 339.5795 6.305920 347.9793 6.444012 -8.399811      9.016092 
1 1 1 4   8  6  o 724.0332 8.961652 63541.87       1569.258 64568.54       2255.747 62579.04       2184.499 729.6835 12.77773 718.3829 12.56879 11.30060       17.92330 
1 1 1 4   8  7  o 394.4584 5.072375 18837.76       484.0226 18675.22       678.3904 19006.29       690.8009 392.7273 7.139803 396.1896 7.206884 -3.462250      10.14475 
1 1 1 4   8  8  o 715.1125 8.871665 62108.42       1534.106 61011.07       2128.727 63294.19       2212.822 708.5784 12.41737 721.6467 12.67417 -13.06830      17.74333 
1 1 1 4   8  9  f 219.2258 3.162196 5817.193       167.6850 5739.307       234.2828 5899.001       240.1094 217.7228 4.447688 220.7289 4.496221 -3.006134      6.324391 
1 1 1 4   8  10 o 259.6204 3.574187 8165.160       224.4926 8124.426       315.8394 8206.752       319.1475 258.9670 5.041032 260.2737 5.068259 -1.306732      7.148374 
1 1 1 4   8  11 o 130.5455 2.426892 2063.468       76.64298 2085.137       108.0417 2041.518       108.7408 131.2364 3.402787 129.8546 3.461250 1.381760       4.853783 
1 1 1 4   8  12 o 59.97070 2.604846 435.9629       37.74142 409.6385       53.39383 462.2491       53.35507 58.15765 3.794739 61.78373 3.569433 -3.626080      5.209692 
1 1 1 4   8  13 o 246.7556 3.457926 7382.559       206.4338 7421.221       292.6730 7344.282       291.2154 247.3985 4.889712 246.1126 4.890779 1.285904       6.915852 
1 1 1 4   8  14 o 47.08271 4.904899 289.7758       45.05058 304.1956       51.88021 245.5681       90.83899 50.08916 4.281104 44.07627 8.826341 6.012886       9.809798 
1 1 1 4   8  15 o 163.7298 3.216874 3390.788       111.2008 3548.611       130.5863 2974.420       212.1047 171.1145 3.154338 156.3451 5.607429 14.76947       6.433747 
1 1 1 4   8  16 o 139.4768 3.040675 2434.112       87.38270 2500.458       100.8573 2234.384       174.9922 143.5986 2.903053 135.3550 5.343698 8.243546       6.081351 
1 1 1 4   8  17 o 108.5252 3.009519 1462.596       65.13197 1483.592       73.91309 1389.649       137.7726 110.5541 2.763404 106.4964 5.347188 4.057640       6.019038 
1 1 1 4   8  18 o 31.39598 5.845241 118.3719       34.56135 116.7472       37.08845 129.0898       95.25995 30.82364 4.973388 31.96831 10.57983 -1.144663      11.69048 
1 1 1 4   8  19 o 68.54764 3.856278 571.9125       46.49410 566.6652       50.58476 600.4759       118.0208 68.15816 3.067606 68.93711 7.076250 -0.7789459     7.712556 
1 1 1 4   8  20 o 53.20695 4.989206 374.1719       43.36842 377.4097       47.11658 356.2166       110.9558 55.42979 3.513405 50.98412 9.339416 4.445667       9.978412 
1 1 1 4   10 0  o 632.3327 7.865901 48445.85       1203.334 48258.68       1694.831 48636.12       1708.798 631.1033 11.10001 633.5621 11.14806 -2.458740      15.73180 
1 1 1 4   10 1  o 353.4565 4.618953 15115.08       394.8624 14889.76       550.1686 15354.45       567.0538 350.7425 6.483435 356.1706 6.580576 -5.428101      9.237906 
1 1 1 4   10 2  o 970.2452 11.93705 114280.4       2801.695 113194.7       3923.149 115410.4       4002.429 965.5617 16.79394 974.9288 16.96870 -9.367126      23.87411 
1 1 1 4   10 3  o 302.2567 4.049618 11056.28       296.1325 11091.89       420.1551 11021.13       417.4472 302.7401 5.736373 301.7734 5.717660 0.9667358      8.099236 
1 1 1 4   10 4  o 982.0632 12.08504 117121.1       2870.378 115465.5       3996.812 118884.5       4124.872 974.9348 16.94478 989.1917 17.23565 -14.25696      24.17009 
1 1 1 4   10 5  o 490.5162 6.193331 29109.92       734.3385 29900.13       1065.899 28396.01       1013.132 496.8373 8.867463 484.1950 8.648556 12.64227       12.38666 
1 1 1 4   10 6  o 386.0235 4.993038 18022.04       465.8598 17559.44       641.9047 18536.84       677.1586 380.8015 6.967380 391.2454 7.153833 -10.44385      9.986075 
1 1 1 4   10 7  o 130.1085 2.496238 2048.915       78.55537 2105.773       111.1626 1992.197       111.0256 131.9126 3.483136 128.3045 3.576670 3.608047       4.992475 
1 1 1 4   10 8  o 189.8495 2.908996 4362.620       133.6036 4427.701       190.3981 4299.491       187.5227 191.2441 4.115022 188.4550 4.112860 2.789108       5.817991 
1 1 1 4   10 9  o 350.7535 5.621469 14879.47       447.5259 14774.29       544.6204 15098.16       785.2845 349.0656 6.448883 352.4414 9.209538 -3.375763      11.24294 
1 1 1 4   10 10 o 191.5806 2.921571 4445.089       135.4151 4469.209       191.7874 4421.110       191.2258 192.0992 4.126598 191.0621 4.136847 1.037048       5.843143 
1 1 1 4   10 11 o 312.7203 4.169704 11857.29       315.3784 12080.95       452.8809 11646.70       439.4472 315.5770 5.931660 309.8636 5.861838 5.713409       8.339409 
1 1 1 4   10 12 o 24.24414 5.032209 72.31373       31.53392 64.18469       43.94873 80.93969       45.27209 23.04367 7.143224 25.44460 7.089914 -2.400927      10.06442 
1 1 1 4   10 13 o 105.0483 2.492587 1336.362       63.30790 1404.826       90.38574 1270.429       88.69984 107.6909 3.469113 102.4056 3.580114 5.285324       4.985174 
1 1 1 4   10 14 o 13.80932 4.371830 -19.19872      30.08988 -22.44298      42.71993 -16.00452      42.38904 13.60501 6.134920 14.01364 6.230117 -0.4086361     8.743661 
1 1 1 4   10 15 o 178.2992 2.846910 3860.200       122.8051 3885.683       174.3596 3835.115       172.9936 178.8827 4.028796 177.7158 4.023480 1.166916       5.693820 
1 1 1 4   10 16 o 89.35190 3.320756 1039.163       57.16145 1087.865       64.67439 865.3183       122.1920 94.69070 2.823076 84.01309 6.011650 10.67760       6.641513 
1 1 1 4   10 17 o 79.40083 3.392089 797.3976       52.26664 815.6424       58.88858 729.6848       113.4483 81.91537 2.971416 76.88629 6.098832 5.029083       6.784177 
1 1 1 4   10 18 o 30.58764 6.045001 104.0983       38.12028 92.30839       42.03385 158.7151       90.47028 26.68295 6.557837 34.49232 10.15691 -7.809372      12.09000 
1 1 1 4   10 19 o 64.00304 4.193034 509.2662       49.07999 506.9176       54.00710 520.4045       117.6135 64.32993 3.470048 63.67614 7.634454 0.6537971      8.386067 
1 1 1 4   10 20 o 22.40693 6.044269 55.78644       40.13362 64.07588       44.13766 16.21654       96.43372 22.28763 7.191224 22.52624 9.716947 -0.2386112     12.08854 
1 1 1 4   12 0  o 701.4263 8.696368 59632.96       1475.335 58791.23       2056.206 60526.08       2118.046 696.3392 12.20516 706.5135 12.39118 -10.17432      17.39274 
1 1 1 4   12 1  o 127.5977 2.610127 1955.256       80.27305 2160.997       119.8179 1787.706       108.1266 133.6423 3.705744 121.5530 3.676754 12.08933       5.220254 
1 1 1 4   12 2  o 671.8344 8.353904 54472.42       1352.653 51996.84       1819.828 57528.54       2021.982 654.9004 11.48558 688.7684 12.13394 -33.86798      16.70781 
1 1 1 4   12 3  o 377.5734 4.899245 17256.34       447.4550 17053.40       625.4358 17469.13       640.4243 375.3019 6.888104 379.8450 6.968818 -4.543121      9.798490 
1 1 1 4   12 4  o 271.3035 3.732638 8908.075       244.9829 9009.044       349.2873 8810.313       343.6968 272.8160 5.291887 269.7910 5.265574 3.024963       7.465275 
1 1 1 4   12 5  o 224.9563 3.281399 6100.055       178.1201 5789.567       241.4175 6471.004       263.8781 218.7024 4.562604 231.2103 4.717306 -12.50789      6.562799 
1 1 1 4   12 6  o 486.8539 6.161394 28701.97       724.6152 27803.25       992.0628 29729.78       1060.921 478.7248 8.565466 494.9831 8.859113 -16.25830      12.32279 
1 1 1 4   12 7  o 175.9126 2.815777 3745.012       119.8130 3683.894       167.3277 3809.318       171.6367 174.4408 3.964766 177.3843 3.999380 -2.943481      5.631555 
1 1 1 4   12 8  o 103.1974 3.468369 1288.555       86.49239 1259.964       118.9394 1320.642       126.0035 101.9865 4.820375 104.4083 4.988217 -2.421783      6.936737 
1 1 1 4   12 9  o 304.6649 4.082946 11245.40       300.7772 10995.76       416.7959 11516.68       434.4814 301.1461 5.720630 308.1836 5.827193 -7.037445      8.165892 
1 1 1 4   12 10 o 117.1791 2.487402 1662.636       70.51707 1652.654       99.53053 1672.697       99.92302 116.8258 3.521399 117.5323 3.514034 -0.7065125     4.974804 
1 1 1 4   12 11 o 213.0689 3.157680 5490.475       162.5674 5725.198       237.3753 5283.138       223.0984 217.3444 4.514241 208.7934 4.416492 8.550995       6.315360 
1 1 1 4   12 12 o 73.86162 2.793759 660.6013       49.88930 649.0084       69.04648 673.2651       72.16505 73.18571 3.899536 74.53752 4.001747 -1.351807      5.587518 
1 1 1 4   12 13 o 257.9485 3.612949 8079.720       225.4669 8142.908       320.4481 8017.771       317.2920 258.9461 5.115004 256.9509 5.103954 1.995270       7.225898 
1 1 1 4   12 14 o 65.95522 2.863090 526.6459       45.57909 580.3253       66.21641 478.3108       62.83367 69.14565 3.958206 62.76480 4.137843 6.380844       5.726180 
1 1 1 4   12 15 o 100.7561 2.560395 1225.878       62.09639 1414.703       91.45445 1064.363       84.58266 107.9253 3.502510 93.58700 3.735627 14.33827       5.120790 
1 1 1 4   12 16 o 113.1579 2.541827 1555.319       69.49718 1668.205       100.7945 1453.018       95.95197 117.0703 3.558668 109.2454 3.630348 7.824905       5.083655 
1 1 1 4   12 17 o 47.54420 4.487156 225.7878       41.99862 192.6907       46.11665 386.6746       101.6770 39.60551 4.812822 55.48288 7.574631 -15.87736      8.974313 
1 1 1 4   12 18 o 79.75214 3.587797 797.6170       55.54934 804.8501       62.40535 770.0179       121.9010 81.19337 3.176866 78.31091 6.434025 2.882454       7.175595 
1 1 1 4   12 19 o 54.75101 5.624810 485.4158       50.74087 544.8435       57.13329 263.5336       110.3967 66.58385 3.546647 42.91817 10.67592 23.66568       11.24962 
1 1 1 4   12 20 f 58.92755 4.558240 399.5691       51.89721 368.0455       57.22013 545.7466       123.2171 54.24236 4.360215 63.61273 8.006169 -9.370369      9.116481 
1 1 1 4   14 0  o 102.2835 2.721019 1266.196       67.22716 1267.938       92.52859 1264.248       97.84077 102.3592 3.736342 102.2077 3.956707 0.1514969      5.442039 
1 1 1 4   14 1  o 88.28337 4.118512 943.2974       87.96735 0.000000       0.000000 943.2974       87.96735 ?        ?        88.28337 4.118512 ?              ?        
1 1 1 4   14 2  o 488.7025 6.191605 28805.62       728.9202 27368.96       977.7802 30602.83       1093.617 475.0953 8.506642 502.3095 8.998940 -27.21420      12.38321 
1 1 1 4   14 3  o 196.1958 3.047511 4654.962       144.5305 4553.653       199.4855 4766.901       209.6901 193.9529 4.251212 198.4387 4.367665 -4.485733      6.095023 
1 1 1 4   14 4  o 249.9686 3.543542 7557.485       214.1208 7346.918       295.5033 7790.254       310.6924 246.3101 4.958814 253.6270 5.063291 -7.316895      7.087084 
1 1 1 4   14 5  o 161.9093 2.768559 3173.598       108.4486 3172.978       153.0381 3174.222       153.7030 161.8937 3.907215 161.9249 3.923436 -0.3121948E-01 5.537118 
1 1 1 4   14 6  o 180.2621 2.904382 3933.678       126.6504 4009.373       180.7237 3860.626       177.5401 181.9658 4.105092 178.5583 4.109739 3.407532       5.808764 
1 1 1 4   14 7  o 130.7337 2.573708 2065.099       81.32134 2178.295       118.1387 1963.161       112.1095 134.1315 3.640482 127.3358 3.639063 6.795670       5.147416 
1 1 1 4   14 8  o 289.1712 3.933512 10128.87       275.0128 9875.362       380.6059 10405.83       397.8184 285.3949 5.512227 292.9475 5.612970 -7.552643      7.867024 
1 1 1 4   14 9  o 187.9753 2.957868 4274.957       134.4165 4427.729       194.7851 4136.065       185.7257 191.1753 4.211351 184.7752 4.154569 6.400146       5.915735 
1 1 1 4   14 10 o 91.67881 2.662874 1017.749       58.89521 1124.765       84.52855 916.7822       82.10512 96.36542 3.625600 86.99220 3.901105 9.373215       5.325748 
1 1 1 4   14 11 o 21.22727 5.644205 36.33394       41.28920 -0.8655351E-01 62.54622 64.46400       54.96845 18.62236 7.924418 23.83219 8.039391 -5.209829      11.28841 
1 1 1 4   14 12 o 340.4371 4.515633 14083.56       371.4942 14562.06       541.4658 13657.99       510.6331 345.8638 6.470883 335.0104 6.300114 10.85345       9.031266 
1 1 1 4   14 13 f 131.5781 2.653698 2096.700       84.39669 2215.896       122.3133 1988.376       116.6014 135.1422 3.740936 128.0140 3.764818 7.128265       5.307396 
1 1 1 4   14 14 o 67.36070 3.057438 552.5943       49.77689 538.6743       71.43797 565.7302       69.39670 66.52488 4.438566 68.19653 4.206048 -1.671654      6.114875 
1 1 1 4   14 15 o 73.17513 2.913856 652.8002       51.58170 640.7656       72.65504 665.0306       73.24361 72.49214 4.142595 73.85810 4.098918 -1.365959      5.827712 
1 1 1 4   14 16 o 101.2649 2.669812 1241.601       65.03174 1342.877       98.60875 1163.650       86.51161 104.8631 3.886785 97.66677 3.661215 7.196327       5.339625 
1 1 1 4   14 17 o 63.37009 3.412462 502.9246       50.97924 457.0259       79.48146 535.0042       66.44770 60.71857 5.410557 66.02161 4.159983 -5.303032      6.824924 
1 1 1 4   14 18 o 35.70325 5.272768 162.2767       43.32388 209.2652       70.24076 133.4246       55.04053 39.74168 7.582005 31.66484 7.329499 8.076839       10.54554 
1 1 1 4   14 19 o 48.31580 5.155898 258.6047       51.67847 219.2597       57.98306 410.5889       113.9608 41.48625 5.776897 55.14536 8.541698 -13.65911      10.31180 
1 1 1 4   14 20 o 27.61265 7.295096 107.3465       72.18640 160.0238       89.29306 7.977395       122.6399 32.08875 10.21529 23.13654 10.41737 8.952209       14.59019 
1 1 1 4   16 0  o 429.6358 5.524546 22363.36       573.4781 21725.23       786.9031 23086.20       837.5007 423.1320 7.686756 436.1397 7.937016 -13.00769      11.04909 
1 1 1 4   16 1  o 160.1306 2.818988 3104.174       109.2048 3153.733       155.2392 3055.623       153.6508 161.3961 3.975630 158.8651 3.997642 2.531036       5.637977 
1 1 1 4   16 2  o 438.6742 5.626668 23303.32       596.0738 22465.20       813.7108 24273.88       875.6437 430.2100 7.817848 447.1383 8.094372 -16.92831      11.25334 
1 1 1 4   16 3  o 430.0098 5.520076 22427.12       573.8605 22989.16       831.0440 21914.86       793.3877 435.1369 7.893976 424.8826 7.718168 10.25430       11.04015 
1 1 1 4   16 4  o 291.2978 3.972819 10282.02       279.9240 10130.78       390.8386 10441.32       401.1057 289.1022 5.587836 293.4934 5.648826 -4.391144      7.945637 
1 1 1 4   16 5  o 279.9427 3.864150 9443.234       260.6776 8896.161       350.1661 10123.31       390.4174 270.9152 5.342425 288.9703 5.584363 -18.05515      7.728300 
1 1 1 4   16 6  o 243.6804 3.492846 7191.541       205.8407 7368.815       296.2378 7026.046       286.2256 246.5797 4.965705 240.7811 4.913418 5.798569       6.985693 
1 1 1 4   16 7  o 216.1520 3.222066 5659.858       168.4695 5571.413       235.5936 5752.411       241.0022 214.4257 4.541343 217.8784 4.571983 -3.452652      6.444131 
1 1 1 4   16 8  o 293.0268 4.001379 10371.56       282.8148 9859.601       382.2756 10990.58       420.3515 285.0910 5.542309 300.9626 5.772950 -15.87158      8.002759 
1 1 1 4   16 9  o 223.9858 3.316203 6080.329       179.6650 5974.855       250.8064 6191.503       257.4950 221.9935 4.669776 225.9780 4.709776 -3.984528      6.632405 
1 1 1 4   16 10 o 171.0586 4.100516 3547.106       169.7015 0.000000       0.000000 3547.106       169.7015 ?        ?        171.0586 4.100516 ?              ?        
1 1 1 4   16 11 o 224.1134 3.329213 6082.417       180.2265 6383.703       264.1690 5820.079       246.5045 229.2818 4.762227 218.9450 4.653584 10.33678       6.658426 
1 1 1 4   16 12 o 177.0873 2.941576 3804.217       125.9410 3924.546       182.3221 3694.405       174.1721 179.7570 4.192288 174.4175 4.127492 5.339478       5.883152 
1 1 1 4   16 13 o 104.7882 2.756497 1333.589       69.84425 1377.160       100.8408 1293.416       96.83056 106.4291 3.916279 103.1472 3.880188 3.281944       5.512993 
1 1 1 4   16 14 o 19.09914 5.264218 -0.4841998E-01 41.92830 -79.91054      61.25450 70.35622       57.51329 13.77092 6.574389 24.42737 8.223465 -10.65645      10.52844 
1 1 1 4   16 15 f 25.34460 6.028066 77.07610       43.77655 69.75591       61.46003 84.61436       62.36876 24.49625 8.494355 26.19295 8.555479 -1.696705      12.05613 
1 1 1 4   16 16 o 91.98840 2.872866 1029.528       63.67315 1162.908       94.66162 919.3169       86.04823 97.40141 4.017042 86.57539 4.108139 10.82602       5.745732 
1 1 1 4   16 17 o 36.92559 5.547460 183.2280       47.97651 159.6322       75.63168 199.1160       62.06126 34.19106 9.014619 39.66013 6.467913 -5.469067      11.09492 
1 1 1 4   16 18 f 23.97457 6.282981 67.90293       48.68311 49.21856       76.47769 80.63229       63.12462 22.94408 9.150650 25.00507 8.612144 -2.060989      12.56596 
1 1 1 4   16 19 o 23.96224 6.409986 71.70013       49.82693 68.40105       83.12083 73.55058       62.25169 24.24264 9.580289 23.68185 8.518789 0.5607929      12.81997 
1 1 1 4   16 20 o 40.43867 8.545022 280.1837       87.45778 207.4956       107.4076 423.2005       150.6595 33.94409 11.23419 46.93325 12.87876 -12.98916      17.09004 
1 1 1 4   18 0  o 241.8005 3.491424 7085.362       204.2500 7083.403       288.9022 7087.319       288.8040 241.7669 4.939143 241.8340 4.936096 -0.6709290E-01 6.982848 
1 1 1 4   18 1  o 269.1472 3.770077 8780.703       245.4792 8719.000       344.8129 8844.114       349.5558 268.1904 5.314201 270.1040 5.349130 -1.913635      7.540154 
1 1 1 4   18 2  o 119.6111 2.766292 1730.712       80.00501 1671.865       110.8916 1794.595       115.5398 117.4934 3.901063 121.7288 3.923162 -4.235397      5.532584 
1 1 1 4   18 3  o 147.0107 2.786680 2617.056       99.09304 2593.626       138.4536 2641.662       141.8869 146.3376 3.910624 147.6838 3.971065 -1.346146      5.573359 
1 1 1 4   18 4  o 115.4091 3.838084 1613.172       107.1659 1613.172       107.1659 0.000000       0.000000 115.4091 3.838084 ?        ?        ?              ?        
1 1 1 4   18 5  f 78.94958 3.169220 755.2154       60.34974 836.4390       86.54375 678.3328       84.19936 83.08642 4.305299 74.81274 4.651906 8.273682       6.338440 
1 1 1 4   18 6  o 208.6763 3.201285 5277.885       161.6200 5311.266       229.0657 5244.794       228.0680 209.3337 4.522916 208.0189 4.531680 1.314819       6.402569 
1 1 1 4   18 7  f 178.6826 4.220807 3869.405       182.4652 0.000000       0.000000 3869.405       182.4652 ?        ?        178.6826 4.220807 ?              ?        
1 1 1 4   18 8  o 86.85570 3.134634 916.7458       65.60948 1014.698       93.07081 819.9839       92.50344 91.48812 4.204811 82.22328 4.650084 9.264839       6.269268 
1 1 1 4   18 9  o 184.6920 3.041444 4121.860       135.6093 4390.720       199.9638 3892.911       184.5261 190.2413 4.344545 179.1426 4.257518 11.09865       6.082889 
1 1 1 4   18 10 o 113.3987 2.819529 1557.433       77.27702 1641.103       112.2503 1482.051       106.5452 116.2878 3.989799 110.5095 3.985032 5.778336       5.639058 
1 1 1 4   18 11 o 61.18930 3.484879 455.6395       51.51836 459.9289       75.01239 451.8098       70.87909 61.45227 5.045367 60.92632 4.808514 0.5259514      6.969758 
1 1 1 4   18 12 o 92.69321 2.990007 1033.870       66.60332 1157.479       101.6357 940.8358       88.17469 97.47923 4.309550 87.90720 4.145884 9.572021       5.980014 
1 1 1 4   18 13 o 99.56664 2.816077 1206.132       67.73462 1257.872       99.15743 1160.866       92.74609 101.5534 4.035791 97.57992 3.928555 3.973434       5.632154 
1 1 1 4   18 14 o 123.3338 2.812855 1846.838       83.64675 2021.818       124.6110 1703.329       112.8502 128.6072 4.004873 118.0604 3.950899 10.54688       5.625710 
1 1 1 4   18 15 o 73.38107 3.436709 658.3569       60.51299 788.9113       89.96851 550.5022       81.77380 80.02586 4.646842 66.73627 5.064655 13.28959       6.873417 
1 1 1 4   18 16 f 29.50894 6.454949 117.1207       50.68269 108.5598       77.54844 123.5041       66.96325 28.76916 9.546933 30.24872 8.690314 -1.479563      12.90990 
1 1 1 4   18 17 o 121.6036 2.959947 1818.980       86.60545 1993.994       131.1476 1683.640       115.3288 126.6743 4.279267 116.5329 4.090600 10.14145       5.919893 
1 1 1 4   18 18 o 37.02261 6.498362 200.7209       57.40590 203.1906       88.94007 198.9574       75.15759 36.77829 9.813437 37.26694 8.521226 -0.4886513     12.99672 
1 1 1 4   18 19 o 16.44667 5.447445 -53.78819      50.76129 11.29478       87.04054 -87.33253      62.48814 19.98354 8.903086 12.90979 6.279625 7.073744       10.89489 
1 1 1 4   20 0  o 89.95968 3.058026 978.3071       66.47147 931.6714       91.26150 1031.005       97.01148 87.68258 4.302015 92.23678 4.347270 -4.554199      6.116052 
1 1 1 4   20 1  o 129.4184 2.849926 2025.347       89.12527 2169.584       129.0075 1893.650       123.2724 133.8201 3.984658 125.0167 4.075637 8.803474       5.699852 
1 1 1 4   20 2  o 157.2599 2.901739 2992.649       110.3276 2886.115       152.6785 3109.070       159.6057 154.3357 4.088925 160.1842 4.118379 -5.848495      5.803478 
1 1 1 4   20 3  o 125.4339 2.850970 1906.972       86.49197 1937.191       121.4699 1875.894       123.1843 126.4453 3.970670 124.4225 4.092175 2.022781       5.701940 
1 1 1 4   20 4  o 95.77790 3.025452 1113.183       69.95434 1201.669       99.18275 1025.591       98.67991 99.57677 4.116952 91.97903 4.434428 7.597733       6.050905 
1 1 1 4   20 5  o 262.3696 3.720966 8350.110       236.1137 8529.220       339.4261 8182.178       328.6643 265.0892 5.292379 259.6500 5.231929 5.439178       7.441932 
1 1 1 4   20 6  o 121.5502 2.915595 1791.799       85.63972 1905.572       121.8561 1680.761       120.3830 125.3708 4.017431 117.7296 4.226466 7.641220       5.831189 
1 1 1 4   20 7  o 107.0006 2.979768 1390.540       76.92805 1520.055       109.4348 1264.021       108.1618 111.9439 4.040662 102.0573 4.380538 9.886597       5.959535 
1 1 1 4   20 8  o 23.30092 5.595372 26.37564       47.03809 125.0965       67.79993 -65.23724      65.31353 31.42783 8.645961 15.17402 7.104936 16.25380       11.19074 
1 1 1 4   20 9  o 131.8103 2.803514 2110.379       89.39659 2137.553       126.3098 2083.104       126.5423 132.6644 3.935322 130.9561 3.993996 1.708374       5.607028 
1 1 1 4   20 10 o 99.23189 2.943210 1186.934       70.14016 1410.871       104.4432 1002.973       94.66277 107.6981 4.008390 90.76570 4.310772 16.93237       5.886421 
1 1 1 4   20 11 o 39.99989 5.596757 208.0297       52.05947 174.1846       80.24952 232.6226       68.40686 36.56445 9.106037 43.43534 6.509596 -6.870899      11.19351 
1 1 1 4   20 12 o 50.62015 4.618456 307.6905       55.66405 389.5380       87.96955 253.0364       71.88544 56.06735 6.485150 45.17295 6.577489 10.89439       9.236912 
1 1 1 4   20 13 o 76.62064 3.531755 720.7992       65.19424 746.0622       97.40828 700.3003       87.74429 77.78282 5.176186 75.45846 4.806275 2.324364       7.063511 
1 1 1 4   20 14 o 52.17767 4.461795 339.2747       55.03719 445.2472       81.59608 250.8163       74.54909 59.79539 5.640262 44.55996 6.915049 15.23544       8.923590 
1 1 1 4   20 15 o 95.16927 3.198586 1119.596       73.55470 1184.001       107.2609 1062.423       101.0599 97.74023 4.535925 92.59831 4.511006 5.141914       6.397171 
1 1 1 4   20 16 o 16.50355 5.455817 -58.00768      54.14586 -51.35337      75.57253 -65.02670      77.61598 16.66736 7.750389 16.33974 7.680834 0.3276291      10.91163 
1 1 1 4   20 17 o 18.13765 5.918012 -50.41246      60.78478 6.246069       91.91044 -94.45892      81.03782 20.89039 9.235930 15.38491 7.401963 5.505485       11.83602 
1 1 1 4   20 18 o 34.87193 6.950163 196.4619       61.35446 230.5724       90.76543 167.7617       83.25664 37.72110 9.841901 32.02275 9.816113 5.698341       13.90033 
1 1 1 4   22 0  o 156.6860 2.939861 2977.250       111.4430 2961.491       157.7126 2992.966       157.4960 156.2706 4.171449 157.1014 4.143688 -0.8308411     5.879722 
1 1 1 4   22 1  o 146.4081 2.883387 2599.094       102.1064 2609.480       146.2398 2589.214       142.6285 146.6897 4.120630 146.1265 4.034363 0.5632019      5.766774 
1 1 1 4   22 2  o 170.6078 4.207255 3530.697       173.6601 0.000000       0.000000 3530.697       173.6601 ?        ?        170.6078 4.207255 ?              ?        
1 1 1 4   22 3  o 104.9845 3.057140 1333.347       77.52787 1258.233       106.1586 1419.193       113.4902 101.8271 4.309130 108.1420 4.337721 -6.314926      6.114280 
1 1 1 4   22 4  o 173.6864 3.022022 3662.088       126.9775 3696.558       178.9614 3627.142       180.1915 174.5144 4.238632 172.8584 4.308652 1.655991       6.044045 
1 1 1 4   22 5  o 30.14296 6.574704 111.8422       52.73953 116.3088       74.86404 107.4417       74.30898 30.62602 9.292123 29.65989 9.303945 0.9661350      13.14941 
1 1 1 4   22 6  o 108.2309 2.967554 1419.572       77.59464 1527.017       112.7353 1322.848       106.9629 112.1172 4.156093 104.3445 4.237028 7.772736       5.935109 
1 1 1 4   22 7  o 179.3316 3.738972 3841.228       150.6278 4142.772       273.2271 3709.567       180.5411 184.0240 6.136870 174.6391 4.272994 9.384903       7.477944 
1 1 1 4   22 8  o 142.9378 2.923908 2476.393       100.8891 2668.768       148.6919 2312.269       137.3406 148.0560 4.151061 137.8196 4.118939 10.23631       5.847817 
1 1 1 4   22 9  o 88.06435 3.289844 946.6791       70.01989 1009.622       100.5865 887.5028       97.53033 90.91653 4.572932 85.21215 4.730814 5.704384       6.579689 
1 1 1 4   22 10 o 78.95451 3.303099 763.5632       63.07286 758.7364       90.25732 768.1700       88.17609 78.69617 4.740526 79.21285 4.601007 -0.5166779     6.606197 
1 1 1 4   22 11 o 141.4182 2.947841 2428.986       100.4639 2706.800       149.8871 2202.369       135.3737 148.7041 4.166191 134.1323 4.171561 14.57181       5.895682 
1 1 1 4   22 12 o 73.56479 3.667578 668.6978       65.18747 719.0062       93.83225 621.7655       90.62917 76.26761 5.085219 70.86197 5.286308 5.405640       7.335156 
1 1 1 4   22 13 o 46.29501 5.490964 281.6644       59.38798 256.6142       87.87624 302.7237       80.57279 43.75373 8.608083 48.83628 6.819358 -5.082554      10.98193 
1 1 1 4   22 14 o 28.47826 6.077969 90.53232       56.51821 -24.94073      80.82870 201.0024       79.05833 18.74569 8.447191 38.21083 8.741383 -19.46514      12.15594 
1 1 1 4   22 15 o 47.67631 5.560354 306.7822       62.55375 275.9759       86.71685 340.2032       90.32197 44.65090 8.333846 50.70172 7.363230 -6.050819      11.12071 
1 1 1 4   22 16 o 18.93094 6.073859 -21.28482      61.68347 14.66628       80.29764 -73.04260      96.34618 20.13845 8.775958 17.72343 8.399381 2.415020       12.14772 
1 1 1 4   22 17 o 37.95948 7.088696 252.7723       70.66120 324.2147       94.49590 162.1550       106.4242 45.87384 8.834749 30.04512 11.08809 15.82872       14.17739 
1 1 1 4   24 0  o 184.2193 3.083463 4123.378       137.3742 4259.140       197.5260 3996.197       191.1823 187.1535 4.362386 181.2851 4.358963 5.868378       6.166925 
1 1 1 4   24 1  o 106.4234 2.989119 1376.135       76.92902 1434.963       110.1493 1320.115       107.4876 108.6472 4.190454 104.1997 4.263732 4.447510       5.978238 
1 1 1 4   24 2  f 79.85750 3.359521 776.9189       64.86100 766.6819       93.14452 786.5557       90.37288 79.33514 4.852767 80.37986 4.647170 -1.044724      6.719043 
1 1 1 4   24 3  o 119.5866 2.903297 1740.350       83.94881 1689.348       119.5217 1790.009       117.9372 117.8427 4.192200 121.3305 4.017711 -3.487778      5.806595 
1 1 1 4   24 4  o 231.2761 3.462520 6489.986       193.0807 6957.302       287.9895 6108.417       260.2305 238.7612 4.985522 223.7910 4.806325 14.97018       6.925041 
1 1 1 4   24 5  o 60.06004 4.118364 444.7530       59.41563 387.1181       84.47207 501.1873       83.58769 56.13066 6.220291 63.98943 5.399230 -7.858772      8.236729 
1 1 1 4   24 6  o 246.6835 3.602715 7415.183       214.3314 7883.313       319.0157 7030.017       289.3690 253.6865 5.197715 239.6806 4.990188 14.00591       7.205430 
1 1 1 4   24 7  o 63.25515 4.150113 490.6537       62.59105 506.6691       97.79850 479.5428       81.45900 64.03495 6.312666 62.47535 5.389247 1.559605       8.300225 
1 1 1 4   24 8  o 60.66212 4.581190 464.1928       65.60059 352.2415       93.23045 573.9747       92.32269 53.10068 7.256972 68.22355 5.593349 -15.12287      9.162379 
1 1 1 4   24 9  o 25.90583 6.884980 69.23608       58.55951 67.67786       82.84908 70.79177       82.78225 25.77593 9.728445 26.03573 9.745212 -0.2597961     13.76996 
1 1 1 4   24 10 f 63.68005 4.420881 514.9652       65.39233 692.1790       94.05250 349.1357       90.98140 74.78033 5.198531 52.57978 7.152065 22.20054       8.841763 
1 1 1 4   24 11 o 62.50381 4.568524 493.5017       68.59932 568.9407       98.47438 422.3773       95.61689 67.31037 6.046986 57.69724 6.849790 9.613129       9.137049 
1 1 1 4   24 12 o 29.46715 6.801376 110.7224       59.89040 48.33964       84.78018 172.8633       84.61568 23.78591 9.582644 35.14840 9.654417 -11.36249      13.60275 
1 1 1 4   24 13 o 32.06791 7.058181 148.0341       62.00558 112.1934       91.34116 178.6657       84.44280 28.85799 10.32547 35.27782 9.625816 -6.419832      14.11636 
1 1 1 4   24 14 o 84.23802 3.695363 906.7125       75.24382 913.0168       104.4791 899.9194       108.4538 84.64734 5.101687 83.82871 5.347487 0.8186264      7.390726 
1 1 1 4   24 15 o 71.04244 4.626796 685.5439       78.95363 725.1821       108.0439 640.1210       115.6593 73.79862 6.051313 68.28626 7.000755 5.512360       9.253592 
1 1 1 4   26 0  o 46.74915 5.544248 281.6159       60.12296 238.2018       88.71643 318.4905       81.76209 42.77750 8.863433 50.72080 6.662905 -7.943298      11.08850 
1 1 1 4   26 1  o 112.5105 3.092549 1549.112       83.98743 1427.520       118.6602 1671.181       118.8924 108.0359 4.539778 116.9851 4.200697 -8.949142      6.185098 
1 1 1 4   26 2  o 29.86861 6.877823 109.5216       56.99675 129.6242       84.98462 93.08735       76.84043 31.83889 9.943729 27.89832 9.504738 3.940571       13.75565 
1 1 1 4   26 3  o 178.2350 3.077864 3873.729       132.4890 4085.234       194.5594 3690.842       180.9187 182.7362 4.400738 173.7338 4.304242 9.002365       6.155728 
1 1 1 4   26 4  o 69.70647 3.903335 596.8265       65.42202 617.9335       98.82673 580.3614       87.28577 70.73811 5.774557 68.67484 5.253437 2.063278       7.806671 
1 1 1 4   26 5  o 65.99336 4.102441 532.6330       65.07911 596.1851       99.13019 484.4954       86.27465 69.38632 5.905134 62.60040 5.696444 6.785927       8.204882 
1 1 1 4   26 6  o 73.25227 3.823394 663.5653       67.65598 659.4691       98.24628 667.2598       93.30487 72.99100 5.563454 73.51353 5.246078 -0.5225296     7.646787 
1 1 1 4   26 7  o 33.96847 6.698381 142.6057       61.78101 245.0251       93.30854 62.65557       82.44040 42.75547 9.286274 25.18147 9.656001 17.57400       13.39676 
1 1 1 4   26 8  o 160.9550 3.109746 3161.987       120.4982 3541.554       181.4528 2862.549       161.1658 169.4936 4.424948 152.4165 4.370573 17.07701       6.219491 
1 1 1 4   26 9  o 57.28291 4.838995 420.7816       66.53093 465.2994       92.45753 372.9770       95.80988 60.66718 6.299211 53.89864 7.347341 6.768547       9.677989 
1 1 1 4   26 10 o 20.13328 6.344186 -15.49677      62.51471 -22.94382      86.63116 -7.405361      90.30132 19.52536 8.776800 20.74120 9.163110 -1.215839      12.68837 
1 1 1 4   26 11 o 33.98332 7.326467 166.8232       67.98946 114.6323       95.56091 220.3247       96.75343 29.12992 10.54398 38.83672 10.17512 -9.706791      14.65293 
1 1 1 4   26 12 o 24.73476 7.066416 65.88722       65.34869 58.99339       90.30761 73.46500       94.68149 24.10572 9.825083 25.36380 10.15897 -1.258078      14.13283 
1 1 1 4   26 13 o 32.04134 7.179164 160.1438       69.59389 246.9808       97.10177 68.42342       99.79472 39.55061 10.10937 24.53207 10.19619 15.01854       14.35833 
1 1 1 4   28 0  o 50.04194 5.555110 314.7586       63.14875 462.7203       97.38000 207.3835       82.95580 60.70577 6.630366 39.37811 8.914889 21.32766       11.11022 
1 1 1 4   28 1  o 34.92733 6.779656 158.7633       60.57919 225.7417       91.23042 105.9390       81.01949 40.91414 9.412340 28.94053 9.760265 11.97361       13.55931 
1 1 1 4   28 2  o 159.3059 3.061516 3122.174       117.9750 3118.711       168.4113 3125.511       165.3154 159.1926 4.372663 159.4192 4.286180 -0.2266388     6.123032 
1 1 1 4   28 3  o 65.77412 4.249678 534.3309       67.10037 598.7372       103.0506 486.9239       88.41121 69.11401 6.162859 62.43423 5.853051 6.679787       8.499355 
1 1 1 4   28 4  o 72.21173 4.124863 652.2280       71.99377 692.9036       103.1299 613.5632       100.5483 74.45073 5.725497 69.97272 5.939417 4.478004       8.249726 
1 1 1 4   28 5  o 19.44693 6.167284 -25.91033      60.52764 -50.02682      89.48729 -5.573000      82.17717 18.75156 8.617435 20.14231 8.825045 -1.390753      12.33457 
1 1 1 4   28 6  o 72.67331 6.127124 783.2352       88.69907 930.6154       109.0088 494.4676       152.5865 86.28740 5.221701 59.05922 11.08605 27.22818       12.25425 
1 1 1 4   28 7  o 24.35002 6.640360 -2.285917      66.14009 -119.6064      87.58560 153.3896       100.8918 15.74634 7.605644 32.95370 10.88723 -17.20736      13.28072 
1 1 1 4   28 8  o 76.66283 4.283978 752.0066       79.38937 758.7664       110.3795 744.7620       114.2685 77.11646 5.916147 76.20919 6.197506 0.9072723      8.567957 
1 1 1 4   28 9  o 36.41150 8.177031 199.4891       77.91878 180.2077       95.97866 236.7638       133.4482 34.60174 10.52631 38.22126 12.51608 -3.619522      16.35406 
1 1 1 4   28 10 f 89.83559 5.624977 1110.346       121.2162 940.3927       167.3263 1298.037       175.8417 81.91692 8.442837 97.75424 7.435050 -15.83732      11.24995 
1 1 1 4   28 11 o 56.95593 8.849617 562.5074       118.9563 697.4420       178.0236 453.6585       159.8925 64.33671 11.87457 49.57515 13.12469 14.76155       17.69923 
1 1 1 5   1  1  o 322.1232 5.155420 12653.92       382.1444 12314.10       645.3776 12837.39       474.2153 318.6808 8.370584 325.5657 6.020528 -6.884918      10.31084 
1 1 1 5   1  3  o 191.3981 3.268260 4270.387       126.4400 4143.494       142.6563 4735.277       273.0522 185.0457 3.186468 197.7505 5.707234 -12.70485      6.536520 
1 1 1 5   1  4  o 374.4116 5.609757 16694.29       429.6030 16445.99       488.8018 17537.18       900.5891 368.5666 5.481691 380.2567 9.789207 -11.69009      11.21951 
1 1 1 5   1  5  o 142.4088 2.732569 2490.872       82.21691 2530.936       95.74098 2378.346       160.4526 144.6338 2.736061 140.1838 4.730931 4.449966       5.465138 
1 1 1 5   1  6  o 407.6381 6.064499 19744.38       504.1932 19428.08       572.7856 20832.84       1062.546 400.6463 5.909199 414.6299 10.59216 -13.98355      12.12900 
1 1 1 5   1  7  o 146.4705 2.785210 2554.836       84.33665 2518.055       96.42139 2674.598       173.9892 144.2696 2.762461 148.6713 4.837187 -4.401642      5.570419 
1 1 1 5   1  8  o 944.2583 13.33836 109711.2       2690.202 111201.2       3150.374 105699.0       5169.624 957.4459 13.60021 931.0707 22.94954 26.37518       26.67671 
1 1 1 5   1  9  o 571.7439 8.303018 39215.19       977.7692 38825.95       1117.335 40487.80       2020.355 566.1580 8.157242 577.3298 14.46443 -11.17175      16.60604 
1 1 1 5   1  10 o 108.0764 2.514474 1345.187       55.16710 1291.967       62.22241 1540.750       119.2763 103.3337 2.488873 112.8191 4.369877 -9.485435      5.028948 
1 1 1 5   1  11 o 64.90652 2.667743 546.9092       34.16155 577.8005       39.06013 446.4010       70.45576 69.10210 2.336362 60.71094 4.796752 8.391159       5.335487 
1 1 1 5   1  12 o 281.9109 4.427902 9444.034       254.9048 9280.624       289.6762 10004.76       536.5968 276.8093 4.325436 287.0126 7.727603 -10.20331      8.855803 
1 1 1 5   1  13 o 44.93411 2.651841 249.5279       27.37240 351.5060       39.67147 156.8660       37.81598 53.88508 3.043038 35.98314 4.343843 17.90195       5.303683 
1 1 1 5   1  14 o 205.4372 3.010505 5106.731       149.5006 5295.647       217.0386 4936.167       206.2269 209.0443 4.291374 201.8301 4.223350 7.214249       6.021011 
1 1 1 5   1  15 o 157.8398 2.594748 3018.843       99.08602 3026.725       140.0786 3010.951       140.1790 158.0464 3.663404 157.6332 3.675642 0.4132538      5.189497 
1 1 1 5   1  16 o 189.5940 2.871201 4360.660       131.6740 4287.375       183.9319 4437.700       188.5856 187.9629 4.044665 191.2250 4.076256 -3.262085      5.742402 
1 1 1 5   1  17 o 65.06134 2.402622 513.6533       37.81076 524.9669       54.15858 502.8954       52.81182 65.75953 3.404131 64.36315 3.391498 1.396378       4.805243 
1 1 1 5   1  18 o 22.84279 4.656487 63.74440       28.37215 92.57960       40.97300 37.18049       39.32623 26.87270 6.394687 18.81288 6.770483 8.059820       9.312973 
1 1 1 5   1  19 o 69.34015 2.527651 586.1826       42.32913 636.1053       60.84969 539.3733       58.92171 72.21339 3.482878 66.46691 3.664102 5.746483       5.055303 
1 1 1 5   1  20 o 14.85167 4.407428 3.992703       27.21384 17.66845       38.36129 -9.862593      38.61229 16.14721 6.466783 13.55613 5.990194 2.591089       8.814857 
1 1 1 5   3  0  o 564.5175 10.00847 38782.35       1366.234 39535.99       1970.368 38084.47       1896.068 569.7592 14.29400 559.2757 14.01283 10.48346       20.01694 
1 1 1 5   3  1  o 272.7305 3.680763 8942.294       241.6926 9637.518       364.3006 8395.699       323.0204 282.1259 5.337214 263.3351 5.070129 18.79080       7.361526 
1 1 1 5   3  2  o 448.0615 5.678775 24289.48       614.6870 23544.26       842.1860 25139.04       899.2106 440.7356 7.898189 455.3875 8.161652 -14.65182      11.35755 
1 1 1 5   3  3  o 655.6492 11.56233 52390.20       1833.615 53111.25       2629.095 51707.32       2558.590 660.0049 16.46482 651.2934 16.23759 8.711548       23.12465 
1 1 1 5   3  4  o 559.0712 6.987071 37892.73       944.9024 37477.88       1321.341 38326.89       1351.766 555.9481 9.823774 562.1943 9.938313 -6.246216      13.97414 
1 1 1 5   3  5  o 629.3433 7.819532 48017.34       1190.494 47630.48       1669.468 48417.61       1698.123 626.7709 11.00948 631.9157 11.10728 -5.144775      15.63906 
1 1 1 5   3  6  o 328.8967 4.303965 13091.13       342.4519 12992.04       480.8368 13193.13       487.8394 327.6343 6.066050 330.1590 6.107330 -2.524628      8.607929 
1 1 1 5   3  7  f 509.7632 7.429510 31171.04       781.9456 30891.24       894.6812 32076.15       1609.149 505.1581 7.320465 514.3682 12.93063 -9.210022      14.85902 
1 1 1 5   3  8  o 252.5046 4.016047 7701.581       211.6151 7686.874       243.7566 7746.580       426.3702 252.0485 3.997330 252.9607 6.966770 -0.9121857     8.032094 
1 1 1 5   3  9  o 327.8885 5.000235 12853.94       337.5040 12706.99       385.4081 13337.30       698.9893 324.0160 4.916455 331.7610 8.708493 -7.744995      10.00047 
1 1 1 5   3  10 o 395.5964 5.862024 19054.54       487.9589 19130.01       565.3239 18834.03       966.3533 397.4011 5.879845 393.7917 10.14301 3.609344       11.72405 
1 1 1 5   3  11 o 286.7263 4.478146 9863.340       264.7371 9770.517       302.6955 10165.38       546.0216 284.0485 4.404648 289.4042 7.798348 -5.355774      8.956292 
1 1 1 5   3  12 o 115.5121 2.709199 1581.910       62.70525 1556.229       70.71623 1676.383       135.6336 113.3967 2.577604 117.6275 4.766024 -4.230728      5.418397 
1 1 1 5   3  13 o 281.5920 4.414402 9623.527       259.6596 9624.146       299.4427 9621.654       521.3428 281.8382 4.391487 281.3458 7.659153 0.4924011      8.828804 
1 1 1 5   3  14 o 125.1114 2.826176 1919.811       72.51662 1940.986       83.13943 1852.469       148.2661 126.6243 2.713861 123.5984 4.958230 3.025948       5.652352 
1 1 1 5   3  15 o 114.7918 2.857098 1617.141       65.81653 1633.088       74.75509 1562.165       138.8012 116.1358 2.660557 113.4478 5.057022 2.687958       5.714195 
1 1 1 5   3  16 o 132.6128 3.050254 2091.477       89.65357 2028.770       106.3900 2245.092       166.5179 129.3500 3.399634 135.8756 5.065440 -6.525635      6.100507 
1 1 1 5   3  17 o 30.11960 4.004618 115.4134       28.09200 155.9438       39.98559 75.91051       39.47549 35.78028 4.619101 24.45892 6.543070 11.32136       8.009236 
1 1 1 5   3  18 o 148.0317 2.559137 2664.005       91.57687 2801.880       132.6034 2538.287       126.6220 151.6890 3.613253 144.3744 3.625071 7.314575       5.118275 
1 1 1 5   3  19 f 36.65854 3.936132 168.1553       32.54012 243.5755       48.61506 106.9398       43.79831 44.54952 4.510508 28.76755 6.451966 15.78197       7.872264 
1 1 1 5   3  20 o 121.4624 3.479424 1806.666       102.2473 0.000000       0.000000 1806.666       102.2473 ?        ?        121.4624 3.479424 ?              ?        
1 1 1 5   5  0  o 230.8997 3.245598 6453.293       181.3037 6423.178       255.1835 6483.991       257.6385 230.3561 4.578788 231.4433 4.601123 -1.087189      6.491197 
1 1 1 5   5  1  o 506.1150 6.369288 31057.43       779.8365 30792.36       1094.020 31331.23       1111.908 503.9245 8.973413 508.3055 9.041526 -4.380951      12.73858 
1 1 1 5   5  2  o 295.6556 3.942248 10583.18       281.9878 10612.13       399.5455 10554.44       398.0406 296.0584 5.578103 295.2528 5.572256 0.8056335      7.884496 
1 1 1 5   5  3  o 209.3687 3.024039 5304.928       153.1771 5283.712       215.8418 5326.455       217.4169 208.9471 4.269695 209.7903 4.283568 -0.8431396     6.048079 
1 1 1 5   5  4  o 437.1124 5.553899 23141.25       587.3383 23215.11       833.0753 23068.26       828.1899 437.8052 7.865043 436.4197 7.843741 1.385468       11.10780 
1 1 1 5   5  5  o 55.62851 2.166727 374.4406       29.14890 376.0737       40.68724 372.7186       41.78003 55.75326 3.016377 55.50376 3.111316 0.2494965      4.333453 
1 1 1 5   5  6  o 321.6345 4.232148 12514.87       329.2327 12722.44       472.4893 12318.97       459.0138 324.2248 6.023423 319.0442 5.946654 5.180664       8.464296 
1 1 1 5   5  7  o 469.9986 5.934062 26748.76       674.7604 26787.68       955.6943 26710.07       952.8229 470.3391 8.398574 469.6581 8.385484 0.6810608      11.86812 
1 1 1 5   5  8  o 430.8202 5.480702 22476.68       571.2555 22415.10       805.7455 22538.92       810.0261 430.2275 7.741006 431.4129 7.760746 -1.185455      10.96140 
1 1 1 5   5  9  o 117.6735 2.296139 1675.598       65.36909 1682.578       92.32853 1668.582       92.56364 117.9193 3.236299 117.4276 3.258126 0.4917068      4.592277 
1 1 1 5   5  10 o 166.8897 3.083486 3166.956       101.9362 3027.230       113.7673 3735.872       229.5642 158.1608 2.973147 175.6186 5.402957 -17.45776      6.166972 
1 1 1 5   5  11 f 538.2350 7.839349 35331.14       883.9183 35361.36       1021.265 35240.93       1764.710 539.6795 7.821681 536.7905 13.58834 2.889038       15.67870 
1 1 1 5   5  12 o 257.4362 4.125501 8023.211       220.7955 8009.976       253.9175 8064.248       447.1048 257.1659 4.081097 257.7065 7.171031 -0.5406189     8.251002 
1 1 1 5   5  13 o 49.23302 3.876631 300.2090       32.69456 302.8815       35.48388 285.1874       84.12679 50.01943 2.932176 48.44661 7.177425 1.572826       7.753263 
1 1 1 5   5  14 o 90.27931 2.795475 865.5340       47.59143 802.3711       51.98995 1192.148       118.2240 81.41274 2.639519 99.14588 4.928657 -17.73314      5.590950 
1 1 1 5   5  15 o 76.11378 3.179825 655.1597       43.67035 633.0278       47.48441 776.5616       111.2127 72.30019 2.714621 79.92738 5.751173 -7.627182      6.359651 
1 1 1 5   5  16 f 90.91725 2.919234 1019.171       51.11000 1029.496       57.20906 978.3463       113.7592 92.18317 2.565139 89.65132 5.244784 2.531853       5.838467 
1 1 1 5   5  17 o 130.7627 2.921327 2109.214       78.24612 2134.580       89.70974 2028.555       159.9720 132.6479 2.795354 128.8775 5.130557 3.770416       5.842655 
1 1 1 5   5  18 o 45.56431 4.058640 256.7705       35.26349 257.4672       39.30621 253.8965       79.83036 45.97616 3.533672 45.15245 7.307762 0.8237076      8.117279 
1 1 1 5   5  19 o 59.86553 2.784863 438.7571       40.20348 438.0628       59.26027 439.3491       54.72302 59.79276 4.096497 59.93830 3.773665 -0.1455345     5.569725 
1 1 1 5   5  20 o 19.97152 5.116789 41.96264       31.54492 56.95972       49.42234 31.65281       40.97751 21.87964 7.615494 18.06339 6.835962 3.816257       10.23358 
1 1 1 5   7  0  o 359.1213 4.664248 15526.96       403.5243 14696.89       541.2381 16565.81       605.4915 348.3871 6.421314 369.8555 6.766649 -21.46835      9.328495 
1 1 1 5   7  1  o 242.9440 3.385327 7135.985       198.8445 7341.480       287.7694 6948.217       275.0770 246.2866 4.829494 239.6015 4.745286 6.685059       6.770654 
1 1 1 5   7  2  o 132.1982 2.382825 2114.564       76.20982 2111.742       107.4005 2117.425       108.1574 132.1094 3.360239 132.2869 3.379381 -0.1774597     4.765650 
1 1 1 5   7  3  o 190.9874 2.873819 4413.407       132.7835 4383.264       186.6386 4444.303       188.9513 190.3272 4.053202 191.6475 4.075157 -1.320328      5.747639 
1 1 1 5   7  5  o 752.9984 9.303763 68741.15       1694.874 68376.80       2384.064 69113.46       2409.975 750.9858 13.12151 755.0110 13.19341 -4.025208      18.60753 
1 1 1 5   7  6  o 343.5568 6.363302 14286.26       528.9119 0.000000       0.000000 14286.26       528.9119 ?        ?        343.5568 6.363302 ?              ?        
1 1 1 5   7  7  o 748.3492 9.269685 67945.00       1678.306 67872.96       2371.620 68017.27       2375.351 747.9525 13.10596 748.7460 13.11267 -0.7935791     18.53937 
1 1 1 5   7  8  o 396.7828 5.095403 19049.39       488.7474 18600.56       675.0439 19543.90       708.5600 391.8818 7.119913 401.6839 7.291048 -9.802094      10.19081 
1 1 1 5   7  9  o 457.9871 5.811353 25440.12       643.8946 25316.51       905.6909 25566.45       915.5989 456.8658 8.193868 459.1082 8.243048 -2.242401      11.62271 
1 1 1 5   7  10 o 38.12232 3.066109 180.0534       27.54425 220.0554       38.21870 136.8203       39.73229 42.63530 3.705137 33.60934 4.886313 9.025959       6.132218 
1 1 1 5   7  11 o 236.0911 3.335499 6743.609       190.3704 6983.043       276.0217 6526.390       262.9058 240.0799 4.752096 232.1024 4.681858 7.977524       6.670998 
1 1 1 5   7  12 f 372.9698 4.837152 16890.37       436.4810 16916.00       617.7598 16864.82       616.7960 373.2523 6.840924 372.6873 6.840606 0.5649719      9.674303 
1 1 1 5   7  13 o 167.8739 3.222248 3462.561       111.9297 3507.340       128.9123 3325.402       225.6169 170.1965 3.130698 165.5513 5.632961 4.645264       6.444495 
1 1 1 5   7  14 o 27.96863 5.629454 88.28333       31.34587 85.34675       33.94729 105.2707       81.64824 26.02172 5.560905 29.91554 9.789758 -3.893820      11.25891 
1 1 1 5   7  15 o 197.9301 3.519496 4778.939       143.9816 4796.673       165.3713 4723.379       292.7101 198.9196 3.436214 196.9406 6.143277 1.979050       7.038993 
1 1 1 5   7  16 o 85.30890 3.170401 936.3508       51.42954 971.4344       57.77778 802.4985       112.8551 89.52758 2.667483 81.09023 5.752416 8.437355       6.340801 
1 1 1 5   7  17 o 106.5935 2.954220 1389.345       62.66612 1392.896       70.83656 1376.562       134.4072 107.1344 2.732916 106.0527 5.238400 1.081726       5.908440 
1 1 1 5   7  18 o 38.97557 4.910281 169.9483       33.78156 159.3857       36.64943 229.6252       87.11349 36.10302 4.195864 41.84813 8.879085 -5.745110      9.820561 
1 1 1 5   7  19 o 54.19471 4.392801 389.1567       41.71769 400.6063       45.84130 333.9679       100.6440 57.27873 3.307967 51.11069 8.139051 6.168037       8.785603 
1 1 1 5   7  20 o 39.05750 5.858757 216.8616       39.25277 223.0299       42.40121 179.8929       103.8036 42.50274 4.123434 35.61226 10.96802 6.890476       11.71751 
1 1 1 5   9  0  o 824.1814 10.18091 82420.52       2029.828 81778.59       2844.473 83086.61       2897.480 820.9257 14.32174 827.4371 14.47382 -6.511475      20.36182 
1 1 1 5   9  1  o 651.9973 8.098507 51493.65       1276.895 50614.82       1773.895 52438.70       1839.496 646.2388 11.34573 657.7557 11.55931 -11.51691      16.19701 
1 1 1 5   9  2  o 165.9574 3.825310 3332.369       153.5909 0.000000       0.000000 3332.369       153.5909 ?        ?        165.9574 3.825310 ?              ?        
1 1 1 5   9  3  o 402.2329 5.162181 19573.35       502.1266 19961.21       723.5157 19212.95       697.4310 406.0723 7.364483 398.3935 7.235803 7.678833       10.32436 
1 1 1 5   9  4  o 601.0641 7.489610 43720.09       1088.146 42685.87       1500.873 44866.10       1579.907 593.5911 10.45092 608.5372 10.73105 -14.94617      14.97922 
1 1 1 5   9  5  o 717.0030 8.878941 62320.10       1539.898 61597.41       2151.240 63079.53       2205.252 712.7521 12.47522 721.2539 12.63769 -8.501831      17.75788 
1 1 1 5   9  6  o 350.3005 6.468506 14855.28       548.2101 0.000000       0.000000 14855.28       548.2101 ?        ?        350.3005 6.468506 ?              ?        
1 1 1 5   9  7  o 406.0499 5.216133 19971.54       512.4049 19895.32       720.9156 20049.35       728.4429 405.2689 7.352565 406.8310 7.400808 -1.562164      10.43227 
1 1 1 5   9  8  o 195.3016 2.931296 4615.222       138.4679 4539.323       193.0882 4695.578       198.6779 193.6500 4.121315 196.9532 4.169502 -3.303253      5.862592 
1 1 1 5   9  9  o 252.2339 3.503565 7699.030       213.6688 7519.334       295.8376 7894.988       308.9344 249.1630 4.907581 255.3049 5.001552 -6.141891      7.007130 
1 1 1 5   9  10 o 229.3726 3.282554 6367.311       182.0711 6565.633       262.5508 6183.582       252.7061 232.8088 4.661350 225.9363 4.623036 6.872437       6.565108 
1 1 1 5   9  11 o 209.9695 3.793980 5362.778       182.1322 5289.708       312.8217 5400.250       224.0170 208.8075 6.192248 211.1314 4.385568 -2.323837      7.587960 
1 1 1 5   9  12 o 214.4122 3.823046 5522.414       185.7169 5426.821       225.0723 5726.354       328.7468 211.6256 4.395938 217.1988 6.256073 -5.573227      7.646092 
1 1 1 5   9  13 o 173.4666 2.790119 3644.980       117.0765 3704.394       167.4385 3588.145       163.7649 174.8484 3.958141 172.0849 3.933469 2.763596       5.580238 
1 1 1 5   9  14 o 110.8203 2.442837 1487.203       65.47144 1543.134       93.89480 1434.276       91.33929 112.8477 3.439114 108.7929 3.470202 4.054817       4.885674 
1 1 1 5   9  15 o 205.7148 3.600884 5292.949       157.2493 5462.320       184.4504 4842.356       300.8518 212.1986 3.592814 199.2309 6.241567 12.96770       7.201768 
1 1 1 5   9  16 o 74.91218 3.322476 663.1545       46.77039 651.3171       51.60924 717.5491       110.6305 73.27119 2.911333 76.55316 5.973235 -3.281967      6.644953 
1 1 1 5   9  17 o 111.7517 3.042538 1470.801       67.05315 1433.023       75.04018 1620.464       149.3597 108.6130 2.855681 114.8904 5.373382 -6.277344      6.085075 
1 1 1 5   9  18 o 58.94706 3.686994 383.7092       42.24136 356.5846       46.63433 507.6740       99.69496 54.04956 3.566245 63.84455 6.454270 -9.794983      7.373989 
1 1 1 5   9  19 o 138.0324 3.294689 2396.169       90.77104 2430.429       103.1328 2278.406       191.2100 141.1058 3.020994 134.9591 5.856066 6.146622       6.589379 
1 1 1 5   9  20 o 18.34486 5.920375 -57.32516      37.59846 -74.88152      40.13112 68.74480       107.5400 10.02208 4.908746 26.66765 10.77532 -16.64558      11.84075 
1 1 1 5   11 0  o 238.4571 4.823784 6880.667       278.2918 0.000000       0.000000 6880.667       278.2918 ?        ?        238.4571 4.823784 ?              ?        
1 1 1 5   11 2  o 570.9317 7.136597 39454.92       985.0906 38618.93       1362.895 40369.44       1425.467 564.6141 9.977196 577.2493 10.20684 -12.63525      14.27319 
1 1 1 5   11 3  o 402.1271 6.315540 19698.85       584.4385 19214.75       987.5742 19959.76       725.0281 398.2242 10.25038 406.0300 7.380647 -7.805847      12.63108 
1 1 1 5   11 4  o 165.7863 5.456032 3326.591       218.8406 0.000000       0.000000 3326.591       218.8406 ?        ?        165.7863 5.456032 ?              ?        
1 1 1 5   11 5  o 418.5142 5.375535 20968.05       539.4206 19492.65       708.0116 23009.38       832.8028 401.1905 7.294363 435.8378 7.897961 -34.64725      10.75107 
1 1 1 5   11 6  o 188.4404 4.106502 4297.800       187.2184 4297.800       187.2184 0.000000       0.000000 188.4404 4.106502 ?        ?        ?              ?        
1 1 1 5   11 7  o 529.3416 8.254308 33342.77       966.6047 35942.89       1802.497 32293.22       1145.193 542.9269 13.72242 515.7562 9.177662 27.17072       16.50862 
1 1 1 5   11 8  o 402.0341 6.325992 19807.56       588.3849 20244.16       736.3239 19036.29       978.6534 408.4792 7.450691 395.5889 10.22545 12.89035       12.65198 
1 1 1 5   11 9  o 307.6211 5.049824 11512.77       354.9589 11570.06       436.1330 11400.36       610.9066 308.9256 5.835294 306.3167 8.243315 2.608948       10.09965 
1 1 1 5   11 10 o 119.4557 3.473547 1727.754       100.3881 0.000000       0.000000 1727.754       100.3881 ?        ?        119.4557 3.473547 ?              ?        
1 1 1 5   11 11 o 128.8321 2.531524 2009.846       78.90051 1995.435       110.8159 2024.662       112.3646 128.3642 3.568254 129.2999 3.591939 -0.9357147     5.063049 
1 1 1 5   11 12 o 182.5952 2.890268 4037.439       127.6340 3946.201       177.5467 4135.016       183.6093 180.4633 4.066505 184.7270 4.108299 -4.263687      5.780535 
1 1 1 5   11 13 o 319.9825 4.270378 12443.34       330.5534 12322.76       463.1077 12568.58       471.9642 318.4093 6.011654 321.5556 6.066675 -3.146240      8.540756 
1 1 1 5   11 14 o 142.0716 2.604695 2446.034       89.48991 2376.604       124.3402 2520.648       128.8985 139.9830 3.671419 144.1602 3.695730 -4.177231      5.209389 
1 1 1 5   11 15 o 105.2021 2.539028 1341.436       64.56237 1421.421       93.45098 1268.397       89.30035 108.1993 3.569908 102.2050 3.611427 5.994354       5.078055 
1 1 1 5   11 16 o 112.9070 3.259238 1526.329       81.48120 1483.070       96.68417 1632.362       151.3690 110.4030 3.619697 115.4110 5.421100 -5.008049      6.518476 
1 1 1 5   11 17 o 114.3508 3.180135 1678.698       73.63969 1750.286       84.77641 1458.656       148.6307 119.9684 2.920828 108.7333 5.649938 11.23508       6.360270 
1 1 1 5   11 18 o 60.96090 3.872852 409.5768       46.25398 377.3636       51.14669 554.1940       108.3705 55.51084 3.808354 66.41095 6.744802 -10.90011      7.745704 
1 1 1 5   11 19 o 28.07607 6.256003 32.21907       45.85928 -16.51710      51.00828 237.7157       104.7411 15.17439 6.783961 40.97774 10.51324 -25.80334      12.51201 
1 1 1 5   11 20 o 48.73524 5.907790 352.2799       49.72564 369.0107       55.07754 278.5247       115.6414 54.44363 4.181433 43.02685 11.05095 11.41678       11.81558 
1 1 1 5   13 0  o 586.7351 7.338078 41704.32       1041.158 42505.92       1500.787 40960.59       1445.603 592.1556 10.47565 581.3145 10.27864 10.84113       14.67616 
1 1 1 5   13 1  o 175.3110 2.887453 3704.248       122.1975 3498.326       166.1960 3946.576       180.2896 170.0292 4.040126 180.5928 4.126368 -10.56364      5.774906 
1 1 1 5   13 2  o 437.3376 5.586499 23167.71       591.0610 23026.86       830.4084 23312.35       841.4745 435.9926 7.872458 438.6827 7.928448 -2.690155      11.17300 
1 1 1 5   13 3  o 88.11298 2.718566 942.7236       57.75615 1010.055       80.58582 871.6087       82.81902 91.36065 3.645836 84.86530 4.033645 6.495346       5.437132 
1 1 1 5   13 4  o 208.1816 3.132176 5246.151       157.7542 5293.934       223.3581 5198.589       222.8389 209.1280 4.414559 207.2353 4.444522 1.892715       6.264352 
1 1 1 5   13 5  o 278.0717 3.823189 9344.529       256.8123 9012.385       351.5199 9724.748       376.0997 272.7888 5.326243 283.3546 5.486185 -10.56573      7.646377 
1 1 1 5   13 6  o 251.8389 4.998774 7681.800       304.5711 0.000000       0.000000 7681.800       304.5711 ?        ?        251.8389 4.998774 ?              ?        
1 1 1 5   13 7  o 62.27718 2.882162 470.5925       43.28485 426.4254       61.16037 514.9149       61.26781 59.34072 4.260053 65.21363 3.883217 -5.872910      5.764324 
1 1 1 5   13 8  o 98.58652 2.980254 1170.859       67.39138 1196.907       116.0247 1157.598       82.78833 99.39085 4.825049 97.78219 3.499509 1.608665       5.960508 
1 1 1 5   13 9  o 114.3766 2.510117 1581.890       69.40117 1674.336       100.0925 1496.294       96.31271 117.5914 3.518225 111.1617 3.581178 6.429703       5.020234 
1 1 1 5   13 10 o 324.8700 4.317600 12801.33       339.2112 13055.17       488.4219 12564.81       471.4618 327.9706 6.155423 321.7693 6.056190 6.201263       8.635200 
1 1 1 5   13 11 o 166.9460 2.784791 3376.244       112.4683 3329.565       157.7608 3424.485       160.3800 165.7731 3.933531 168.1188 3.943042 -2.345703      5.569582 
1 1 1 5   13 12 o 34.88567 5.062057 153.4263       41.29588 170.6879       59.27403 137.1454       57.56581 36.86132 6.900084 32.91002 7.408544 3.951294       10.12411 
1 1 1 5   13 13 o 128.7559 2.638483 2010.665       82.17583 2011.215       115.1261 2010.093       117.3337 128.7771 3.695157 128.7347 3.767252 0.4240417E-01  5.276967 
1 1 1 5   13 14 o 73.20105 2.780234 650.7171       49.02563 734.2703       70.50423 572.4954       68.21773 77.76340 3.747465 68.63869 4.107957 9.124710       5.560468 
1 1 1 5   13 15 o 104.9436 2.595172 1338.812       65.84690 1409.263       94.25193 1271.642       92.03094 107.6469 3.618982 102.2403 3.720570 5.406601       5.190344 
1 1 1 5   13 16 o 19.38375 5.370409 26.98931       36.65739 43.46167       55.60693 14.32893       48.74996 21.24525 7.980202 17.52224 7.188990 3.723007       10.74082 
1 1 1 5   13 17 o 48.63323 3.787262 286.4365       44.08175 337.3567       68.68047 250.7641       57.48494 52.21728 5.436466 45.04918 5.274301 7.168102       7.574523 
1 1 1 5   13 18 o 72.28958 4.012248 670.1752       56.02968 682.2127       63.03462 624.8661       122.2937 74.61669 3.491731 69.96248 7.224980 4.654213       8.024495 
1 1 1 5   13 19 o 32.25493 6.770142 124.8036       46.29706 111.3882       50.92602 188.6972       111.1391 28.71443 7.311202 35.79544 11.39674 -7.081009      13.54028 
1 1 1 5   13 20 o 66.36121 5.344182 612.0400       80.91259 658.5367       102.2634 534.2058       132.3106 71.18815 5.937592 61.53426 8.887413 9.653885       10.68836 
1 1 1 5   15 0  o 103.9590 2.665817 1306.147       66.96669 1270.428       91.99922 1346.400       97.66492 102.4506 3.711654 105.4674 3.827524 -3.016861      5.331633 
1 1 1 5   15 1  o 474.4203 6.035785 27224.37       691.0168 26155.35       937.7502 28494.58       1022.192 464.2944 8.348173 484.5463 8.719563 -20.25186      12.07157 
1 1 1 5   15 2  o 116.2666 2.626150 1636.321       73.84577 1693.740       104.8523 1579.811       104.0201 118.2914 3.663722 114.2418 3.763482 4.049637       5.252300 
1 1 1 5   15 3  o 406.2929 5.239280 20012.42       514.7896 19665.29       715.5714 20384.82       741.1469 402.6525 7.345481 409.9333 7.472893 -7.280823      10.47856 
1 1 1 5   15 4  o 140.8295 2.679543 2395.787       91.18237 2297.594       125.1731 2506.800       133.0938 137.7629 3.755575 143.8962 3.823016 -6.133331      5.359086 
1 1 1 5   15 5  o 96.70674 2.703023 1131.604       63.21931 1091.630       88.23302 1173.775       90.62622 94.95245 3.840809 98.46104 3.804409 -3.508591      5.406046 
1 1 1 5   15 6  o 261.3935 3.662697 8272.873       231.4897 8491.909       334.6057 8071.795       320.5953 264.7048 5.224793 258.0822 5.134483 6.622559       7.325393 
1 1 1 5   15 7  o 36.97837 6.845700 171.2702       58.98903 171.2702       58.98903 0.000000       0.000000 36.97837 6.845700 ?        ?        ?              ?        
1 1 1 5   15 8  o 156.4466 2.755274 2964.575       104.2825 3002.158       147.6118 2927.128       147.3440 157.4376 3.875344 155.4556 3.917633 1.981949       5.510548 
1 1 1 5   15 9  o 141.9303 2.694170 2437.493       92.45023 2564.809       133.0445 2318.616       128.5596 145.5118 3.779169 138.3488 3.840845 7.162979       5.388340 
1 1 1 5   15 10 o 142.9194 2.724616 2472.448       94.15648 2589.116       135.4062 2363.222       131.0170 146.1821 3.828617 139.6567 3.877605 6.525406       5.449232 
1 1 1 5   15 11 o 68.32617 3.197865 566.7521       52.82230 545.8295       75.11434 587.2216       74.29639 67.07313 4.628838 69.57921 4.413528 -2.506081      6.395731 
1 1 1 5   15 12 f 144.4561 2.717065 2530.425       94.92916 2621.787       135.6947 2442.852       132.8507 147.0117 3.815124 141.9006 3.869702 5.111115       5.434130 
1 1 1 5   15 13 o 81.66115 2.929527 802.4116       57.43754 956.7837       85.64374 676.2192       77.43330 88.74250 3.988978 74.57979 4.291453 14.16271       5.859054 
1 1 1 5   15 14 o 83.19617 2.912262 844.9328       58.28891 823.6393       86.54425 862.6115       78.85694 82.20176 4.351658 84.19057 3.871454 -1.988815      5.824525 
1 1 1 5   15 15 o 60.15347 3.426761 441.0783       49.57755 513.5158       72.81860 378.4876       67.68861 64.76392 4.647366 55.54302 5.037137 9.220898       6.853522 
1 1 1 5   15 16 o 90.85104 2.839573 1008.376       62.20578 1033.651       92.28010 987.3265       84.21638 91.85543 4.152417 89.84666 3.874292 2.008774       5.679146 
1 1 1 5   15 17 o 32.35982 5.613051 133.5854       44.67698 199.4664       68.60899 85.08199       58.86906 38.94243 7.554649 25.77721 8.303773 13.16522       11.22610 
1 1 1 5   15 18 f 58.56345 3.634034 424.4177       51.16681 481.8089       77.73325 380.5408       67.96761 61.99710 5.182426 55.12980 5.095810 6.867294       7.268069 
1 1 1 5   15 19 o 27.34952 7.052608 85.65995       51.68056 69.56436       58.14392 146.2225       112.7854 23.27246 8.247554 31.42658 11.44268 -8.154121      14.10522 
1 1 1 5   15 20 o 17.74168 6.006844 -88.60755      74.22421 -27.42415      88.17741 -237.3587      137.4899 18.38703 8.487602 17.09632 8.502312 1.290710       12.01369 
1 1 1 5   17 0  o 231.9737 3.395649 6517.478       190.5498 6413.678       266.9250 6625.345       272.1059 230.0912 4.794981 233.8562 4.809354 -3.764938      6.791298 
1 1 1 5   17 1  o 234.0163 3.409743 6624.888       192.8801 6408.513       266.0264 6864.696       280.0618 229.9967 4.780803 238.0359 4.863055 -8.039215      6.819485 
1 1 1 5   17 2  o 406.1020 5.252089 20023.69       516.0228 20034.29       730.4297 20013.13       729.1051 406.2083 7.432371 405.9957 7.422777 0.2125549      10.50418 
1 1 1 5   17 3  o 143.1333 2.761182 2480.958       95.61665 2480.914       134.9104 2481.002       135.5364 143.1324 3.895877 143.1342 3.913905 -0.1815796E-02 5.522365 
1 1 1 5   17 4  o 158.2876 2.810958 3032.950       107.6213 3110.028       154.1979 2959.742       150.2768 160.2474 3.977270 156.3278 3.973318 3.919556       5.621915 
1 1 1 5   17 5  o 155.6926 3.984304 2935.988       150.0800 0.000000       0.000000 2935.988       150.0800 ?        ?        155.6926 3.984304 ?              ?        
1 1 1 5   17 6  o 224.4743 3.336807 6093.313       180.9911 6385.751       264.1427 5834.500       248.4937 229.5365 4.756468 219.4121 4.681148 10.12434       6.673615 
1 1 1 5   17 7  o 270.0044 3.763827 8824.673       245.5365 9174.171       358.7937 8516.825       336.7369 275.0130 5.392489 264.9958 5.252298 10.01712       7.527654 
1 1 1 5   17 8  o 155.0620 2.839336 2913.818       106.5028 2889.611       151.5264 2937.452       149.7252 154.4229 4.055780 155.7012 3.974665 -1.278351      5.678672 
1 1 1 5   17 9  o 193.6261 3.094793 4544.914       144.9561 4613.511       207.1407 4479.083       202.9220 195.0562 4.389383 192.1961 4.363976 2.860092       6.189586 
1 1 1 5   17 10 o 195.2719 3.085412 4626.042       145.7499 4715.305       207.7373 4539.504       204.5428 197.1278 4.355763 193.4160 4.371086 3.711777       6.170824 
1 1 1 5   17 11 o 234.9821 3.434178 6671.254       194.4600 7184.621       291.3224 6258.689       261.1595 243.0599 4.954025 226.9042 4.757304 16.15569       6.868355 
1 1 1 5   17 12 o 92.17511 2.927864 1034.114       65.16389 1015.523       94.69687 1050.835       89.80865 91.37074 4.283770 92.97947 3.992351 -1.608727      5.855729 
1 1 1 5   17 13 o 159.2900 2.877479 3076.072       110.6117 3320.020       163.5795 2870.562       150.1402 165.0728 4.095916 153.5072 4.042650 11.56560       5.754958 
1 1 1 5   17 14 o 93.00428 2.929680 1053.033       65.77582 1155.312       95.97495 962.4434       90.32413 97.26219 4.078603 88.74637 4.206790 8.515823       5.859359 
1 1 1 5   17 15 o 114.9431 2.807924 1612.138       77.96624 1728.402       113.8086 1509.321       107.0256 118.8407 3.958290 111.0456 3.983677 7.795090       5.615848 
1 1 1 5   17 16 o 21.55410 5.773964 16.97572       46.91156 99.92373       70.84328 -47.80013      62.60402 27.83921 9.119436 15.26898 7.084528 12.57022       11.54793 
1 1 1 5   17 17 o 28.95327 6.384225 114.5063       49.61391 101.2093       76.68685 124.0786       65.06593 27.77783 9.495081 30.12871 8.536788 -2.350878      12.76845 
1 1 1 5   17 18 o 30.05925 5.921263 133.4731       52.30394 26.60568       83.73895 201.8367       66.97568 21.65975 9.191522 38.45874 7.467354 -16.79899      11.84253 
1 1 1 5   17 19 o 24.86153 5.896435 77.72514       51.92315 -32.12333      81.12780 153.9411       67.57651 17.59142 8.127671 32.13165 8.544748 -14.54023      11.79287 
1 1 1 5   19 0  o 97.95457 2.890377 1162.360       68.42916 1093.968       96.08672 1232.742       97.47511 95.02769 4.179371 100.8814 3.993743 -5.853760      5.780755 
1 1 1 5   19 1  o 285.3801 3.942259 9843.125       271.5328 10360.77       401.3381 9406.157       368.7402 292.2615 5.675922 278.4987 5.472617 13.76285       7.884518 
1 1 1 5   19 2  o 43.07695 4.952668 228.5373       50.46887 245.8750       72.23293 212.0007       70.54455 44.99876 6.634870 41.15513 7.354876 3.843628       9.905336 
1 1 1 5   19 3  o 168.9026 2.928527 3452.201       119.5918 3345.048       165.4975 3569.302       173.0092 166.1644 4.116717 171.6408 4.166260 -5.476410      5.857054 
1 1 1 5   19 4  o 182.1246 3.022227 4015.134       133.0956 4163.101       192.0008 3878.259       184.6647 185.3507 4.281605 178.8985 4.266530 6.452148       6.044453 
1 1 1 5   19 5  o 128.3548 2.826899 1996.287       87.77676 2006.295       123.4304 1986.047       124.8520 128.6821 3.964622 128.0276 4.030783 0.6544189      5.653799 
1 1 1 5   19 6  o 165.0059 2.930502 3299.736       116.9718 3289.906       163.9282 3309.933       166.9598 164.7579 4.112493 165.2538 4.175977 -0.4958649     5.861005 
1 1 1 5   19 7  o 302.9512 4.131139 11150.25       302.7699 11250.72       431.3927 11052.72       425.0406 304.2919 5.859763 301.6104 5.824811 2.681519       8.262278 
1 1 1 5   19 8  o 229.1564 3.402537 6376.065       188.6392 6392.992       267.5666 6359.338       265.9925 229.4574 4.819783 228.8554 4.804032 0.6019745      6.805074 
1 1 1 5   19 9  f 79.31657 3.296938 766.4200       62.50942 924.0984       90.05215 619.7940       86.83874 87.23917 4.266583 71.39399 5.027471 15.84518       6.593875 
1 1 1 5   19 10 o 156.7754 2.891679 2980.006       109.5179 3101.348       160.2905 2873.763       149.9859 159.7523 4.147233 153.7985 4.030844 5.953812       5.783359 
1 1 1 5   19 11 o 59.19532 3.801496 424.7305       54.20099 469.4579       81.42433 389.1422       72.63072 61.96367 5.431437 56.42697 5.320242 5.536705       7.602992 
1 1 1 5   19 12 o 86.71657 3.153639 911.8639       65.89350 1032.373       97.67376 811.2051       89.26755 91.94976 4.390611 81.48337 4.528166 10.46639       6.307277 
1 1 1 5   19 13 o 46.31590 4.689373 269.3546       51.95987 233.8307       75.46904 301.3695       71.64471 43.26989 7.209095 49.36190 5.999154 -6.092007      9.378747 
1 1 1 5   19 14 o 125.0880 2.865046 1907.191       86.47187 2091.355       127.6709 1751.104       117.5362 130.6421 4.039302 119.5338 4.064232 11.10826       5.730091 
1 1 1 5   19 15 f 87.99902 3.221149 954.3439       68.42071 1049.929       99.33588 868.0627       94.37742 92.22190 4.452150 83.77615 4.656348 8.445755       6.442299 
1 1 1 5   19 16 o 79.54137 3.552373 788.5208       67.99831 907.7075       99.19958 682.8826       93.39130 85.30159 4.806738 73.78116 5.231891 11.52043       7.104745 
1 1 1 5   19 17 o 49.12021 5.501798 327.6823       62.54716 407.9542       90.39451 253.9481       86.63529 55.83323 6.691862 42.40719 8.734879 13.42604       11.00360 
1 1 1 5   19 18 o 29.19640 6.972759 127.5371       59.26367 173.0598       89.25993 91.64960       79.25265 32.91599 10.17617 25.47682 9.535356 7.439171       13.94552 
1 1 1 5   21 0  o 156.5036 2.942473 2968.571       111.4118 2986.235       158.1430 2951.165       156.9836 156.9656 4.164311 156.0416 4.158258 0.9239960      5.884947 
1 1 1 5   21 1  o 157.3373 2.926643 3000.263       111.4000 3039.254       158.1417 2961.857       156.9519 158.3527 4.127799 156.3218 4.149968 2.030930       5.853286 
1 1 1 5   21 2  o 44.44877 5.515341 245.2644       56.75351 170.0813       77.43552 332.5204       83.42151 36.60328 8.843109 52.29427 6.593585 -15.69099      11.03068 
1 1 1 5   21 3  o 74.91825 3.498670 681.3181       63.31555 632.9666       88.97625 730.9186       90.11810 72.21767 5.092468 77.61883 4.798911 -5.401154      6.997340 
1 1 1 5   21 4  o 228.6104 3.416537 6334.312       188.8343 6578.227       273.3029 6111.502       261.2114 232.8128 4.852160 224.4080 4.811179 8.404800       6.833075 
1 1 1 5   21 5  o 340.5594 4.553422 14120.42       375.1077 13961.00       524.5528 14287.27       536.6177 338.6052 6.403143 342.5135 6.475674 -3.908264      9.106844 
1 1 1 5   21 6  o 27.45101 6.521501 81.58154       53.57777 37.84867       75.57619 125.7668       75.96613 23.20029 9.145699 31.70173 9.299252 -8.501438      13.04300 
1 1 1 5   21 7  o 53.76479 5.545231 347.4790       67.32879 335.4017       81.08231 374.3010       120.8334 52.41387 6.394073 55.11571 9.061688 -2.701843      11.09046 
1 1 1 5   21 8  o 162.1667 2.923478 3191.034       114.5814 3315.327       166.7506 3079.851       157.7121 165.1459 4.173471 159.1874 4.095001 5.958450       5.846956 
1 1 1 5   21 9  o 131.9392 2.856548 2114.100       91.08016 2256.146       131.9255 1984.734       125.8993 136.1723 4.004402 127.7062 4.074829 8.466133       5.713096 
1 1 1 5   21 10 o 16.28827 5.180254 -59.18668      47.66436 -151.7312      71.95100 13.18754       63.62875 13.01256 6.412801 19.56398 8.137326 -6.551416      10.36051 
1 1 1 5   21 11 o 95.95977 3.065167 1114.236       70.77964 1275.698       106.3133 985.6932       94.85830 102.1461 4.301933 89.77347 4.367421 12.37260       6.130334 
1 1 1 5   21 12 o 68.95049 3.668513 573.0010       60.25771 736.6295       92.54392 452.5699       79.39406 77.36497 4.944260 60.53600 5.420907 16.82896       7.337025 
1 1 1 5   21 13 o 98.67610 3.133040 1195.485       74.65026 1305.307       108.3623 1096.291       102.9856 103.0097 4.348083 94.34250 4.511977 8.667213       6.266080 
1 1 1 5   21 14 o 27.36854 6.805982 93.87422       56.10921 81.34933       82.91257 104.4563       76.21115 26.43964 9.781067 28.29743 9.466589 -1.857792      13.61196 
1 1 1 5   21 15 f 80.39789 3.499456 811.0121       67.96157 839.1852       94.69826 781.0911       97.59138 81.93441 4.777199 78.86136 5.114992 3.073051       6.998912 
1 1 1 5   21 16 o 72.34631 4.147587 681.7513       70.69944 864.2738       101.2069 507.7910       98.80457 82.47409 5.072129 62.21852 6.563795 20.25557       8.295174 
1 1 1 5   21 17 o 34.91618 6.610874 180.0704       67.79664 46.67956       92.53785 334.6294       99.61015 22.63767 9.636110 47.19470 9.053177 -24.55703      13.22175 
1 1 1 5   23 0  f 55.94034 4.264591 380.5180       57.65578 360.9890       79.46719 402.2236       83.77872 54.42781 6.034825 57.45286 6.027258 -3.025043      8.529182 
1 1 1 5   23 1  o 72.41151 3.594561 638.8769       62.85015 667.5676       87.59196 608.4294       90.23397 74.10504 4.885559 70.71798 5.273973 3.387062       7.189122 
1 1 1 5   23 2  o 112.3810 2.952005 1534.293       80.14669 1637.979       113.8395 1432.391       112.8560 116.1599 4.050743 108.6021 4.295208 7.557785       5.904009 
1 1 1 5   23 3  o 114.9467 2.927454 1599.767       81.28387 1720.138       118.6137 1493.189       111.6111 119.0132 4.119433 110.8802 4.160555 8.133018       5.854908 
1 1 1 5   23 4  o 211.2113 3.279685 5388.895       166.9039 5840.999       250.2943 5026.891       223.9691 219.1122 4.721523 203.3103 4.553301 15.80193       6.559370 
1 1 1 5   23 5  o 99.28387 3.033353 1194.642       72.71804 1300.826       106.2858 1101.197       99.70686 103.4219 4.247763 95.14581 4.331448 8.276131       6.066707 
1 1 1 5   23 6  o 84.79109 3.219613 875.4590       65.96971 936.2505       94.57111 817.8408       92.06970 87.66887 4.458725 81.91332 4.645793 5.755547       6.439226 
1 1 1 5   23 7  o 57.23808 4.358022 392.0006       59.53995 478.7195       93.66766 333.2052       77.12664 62.40312 6.204133 52.07305 6.121940 10.33007       8.716043 
1 1 1 5   23 8  o 115.5697 3.010586 1630.534       84.17223 1621.098       119.5029 1639.825       118.5775 115.2307 4.286547 115.9087 4.228478 -0.6779709     6.021173 
1 1 1 5   23 9  o 26.78370 6.659910 76.66074       55.75471 120.9347       79.92727 34.69778       77.81335 30.76665 9.648955 22.80075 9.182333 7.965900       13.31982 
1 1 1 5   23 10 o 110.4186 3.109386 1495.283       83.00157 1571.178       117.9667 1420.875       116.8058 113.2243 4.306433 107.6129 4.486398 5.611382       6.218772 
1 1 1 5   23 11 o 112.6388 3.080237 1556.742       83.85725 1636.693       121.8543 1484.814       115.5785 115.3768 4.365360 109.9007 4.346846 5.476097       6.160474 
1 1 1 5   23 12 o 50.19566 5.125345 319.3513       61.82110 375.3692       91.40806 272.1279       83.92673 54.32784 6.954401 46.06349 7.530801 8.264347       10.25069 
1 1 1 5   23 13 o 100.4847 3.309644 1248.709       80.18074 1397.536       118.5658 1123.292       108.8425 106.0012 4.623241 94.96834 4.737154 11.03282       6.619289 
1 1 1 5   23 14 o 109.2781 3.122900 1490.738       82.51554 1523.867       119.1956 1460.250       114.3447 110.4069 4.462332 108.1494 4.370081 2.257538       6.245800 
1 1 1 5   23 15 o 73.95804 4.234888 718.8038       74.90417 750.3658       100.3705 679.1313       112.5302 76.28216 5.438522 71.63391 6.493041 4.648247       8.469776 
1 1 1 5   23 16 o 46.31343 6.415869 329.3385       69.63070 341.8740       92.63756 313.0587       105.5705 48.74448 7.855237 43.88237 10.14637 4.862110       12.83174 
1 1 1 5   25 0  o 135.5845 2.939898 2236.317       96.37700 2318.000       139.3054 2161.326       133.4767 137.9528 4.173833 133.2161 4.141392 4.736633       5.879797 
1 1 1 5   25 1  o 91.38658 3.275259 1018.931       72.39859 1023.746       103.6109 1014.337       101.2056 91.59007 4.675786 91.18310 4.587626 0.4069748      6.550518 
1 1 1 5   25 2  f 96.49358 3.162780 1136.079       73.81979 1125.229       105.1990 1146.604       103.6129 96.02957 4.527979 96.95758 4.417025 -0.9280090     6.325560 
1 1 1 5   25 3  o 197.9313 3.194007 4780.925       152.8806 4850.582       220.1683 4716.067       212.4498 199.3031 4.566026 196.5596 4.467453 2.743546       6.388014 
1 1 1 5   25 4  o 106.1789 2.964214 1372.897       76.07041 1449.383       110.4268 1303.820       104.9423 108.9886 4.187848 103.3691 4.196210 5.619469       5.928427 
1 1 1 5   25 5  o 154.0378 2.962641 2890.072       110.2378 3037.334       161.5158 2761.648       150.8316 157.6860 4.233697 150.3896 4.145454 7.296341       5.925283 
1 1 1 5   25 6  o 40.27663 6.225213 208.0899       58.44859 247.5422       90.93361 180.3159       76.29700 43.47916 8.943027 37.07410 8.662295 6.405060       12.45043 
1 1 1 5   25 7  o 72.67154 3.941305 644.1406       68.84553 747.5611       104.1082 563.7672       91.77789 77.80112 5.530912 67.54195 5.616454 10.25917       7.882610 
1 1 1 5   25 8  o 77.96920 3.932813 752.8002       74.16380 731.9837       103.3845 774.8692       106.4495 76.86018 5.559707 79.07822 5.563966 -2.218048      7.865625 
1 1 1 5   25 9  o 49.01766 5.338268 306.0231       63.28093 310.3286       88.67082 301.5541       90.33797 49.41158 7.417366 48.62374 7.679265 0.7878418      10.67654 
1 1 1 5   25 10 o 80.91496 3.829274 815.0411       74.42247 955.4833       108.3949 689.7956       102.3625 87.62733 5.112894 74.20258 5.701901 13.42475       7.658548 
1 1 1 5   25 11 o 68.61903 4.506664 602.2920       72.75075 785.4468       105.7206 437.5487       100.2661 79.00495 5.530992 58.23310 7.116755 20.77185       9.013328 
1 1 1 5   25 12 o 60.07154 4.709054 468.6375       67.99573 531.4333       96.88181 407.6777       95.45502 64.29762 6.227949 55.84546 7.064942 8.452156       9.418107 
1 1 1 5   25 13 o 79.70638 3.865921 815.8140       74.43122 874.4118       106.1084 759.0500       104.4348 82.65865 5.305902 76.75411 5.623948 5.904541       7.731843 
1 1 1 5   25 14 o 22.75314 6.740034 43.37515       66.13599 94.21984       88.08241 -22.33335      100.1330 25.75637 9.953380 19.74990 9.090789 6.006474       13.48007 
1 1 1 5   27 0  o 106.2159 3.171431 1378.719       81.36031 1480.983       119.0443 1289.083       111.4523 109.9019 4.477144 102.5298 4.493002 7.372154       6.342861 
1 1 1 5   27 1  f 110.1603 3.151154 1482.805       83.75108 1556.418       124.1392 1421.309       113.4633 112.6273 4.555785 107.6934 4.354758 4.933868       6.302309 
1 1 1 5   27 2  o 32.49439 10.38484 137.0719       92.21287 137.0719       92.21287 0.000000       0.000000 32.49439 10.38484 ?        ?        ?              ?        
1 1 1 5   27 3  o 156.0245 3.021904 2961.691       113.5604 3238.072       170.7613 2742.537       152.0581 162.4644 4.344390 149.5847 4.201654 12.87976       6.043809 
1 1 1 5   27 4  o 108.3624 3.217834 1426.582       83.80621 1604.507       127.7450 1292.142       111.0422 114.1936 4.623807 102.5312 4.476409 11.66243       6.435669 
1 1 1 5   27 5  o 111.6704 3.143299 1529.252       84.57224 1591.570       126.4194 1478.771       113.7826 113.6563 4.597460 109.6846 4.287735 3.971725       6.286598 
1 1 1 5   27 6  o 36.98646 6.589666 188.2165       59.51514 152.6790       87.61135 218.6676       81.09957 33.52683 10.02532 40.44609 8.554990 -6.919258      13.17933 
1 1 1 5   27 7  o 107.0689 3.242424 1412.001       83.70168 1497.895       124.8147 1341.806       112.8341 109.9571 4.691806 104.1806 4.476628 5.776497       6.484847 
1 1 1 5   27 8  o 114.8684 4.514777 1656.752       124.6851 1892.921       189.1616 1475.312       165.8012 121.9960 6.408925 107.7409 6.360703 14.25510       9.029554 
1 1 1 5   27 9  o 50.91148 5.948864 351.3937       69.32945 244.4503       95.55617 470.2611       100.7426 41.52663 9.688370 60.29632 6.905897 -18.76968      11.89773 
1 1 1 5   27 10 o 61.87193 4.969058 502.8097       74.37191 506.3513       104.5911 499.1875       105.7744 62.14103 6.956871 61.60283 7.097048 0.5382080      9.938115 
1 1 1 5   27 11 o 30.68302 7.670258 140.8186       71.66324 111.2943       98.56345 173.9310       104.3808 28.11996 10.61154 33.24607 11.07820 -5.126110      15.34052 
1 1 1 5   27 12 o 27.08318 7.431734 105.2809       70.10617 74.58782       95.02422 141.9424       103.8532 24.57409 10.05427 29.59227 10.94689 -5.018183      14.86347 
1 1 1 5   29 0  o 75.68755 3.933465 713.7592       71.45797 845.7062       104.7098 598.7429       97.76134 82.34146 5.256132 69.03363 5.853345 13.30783       7.866930 
1 1 1 5   29 1  f 62.57967 4.468895 487.5980       66.58374 624.6511       100.5161 380.4373       88.88099 70.47272 5.895386 54.68662 6.717776 15.78611       8.937790 
1 1 1 5   29 2  o 73.83250 3.989038 688.1451       70.61848 647.5060       105.1075 721.5850       95.34411 71.62551 6.065457 76.03951 5.182655 -4.413994      7.978075 
1 1 1 5   29 3  f 62.24525 4.699653 490.0969       70.22731 582.3988       104.1199 413.0592       95.12180 67.71548 6.355406 56.77503 6.925010 10.94045       9.399305 
1 1 1 5   29 4  o 79.44041 5.387934 832.9355       101.4696 746.2225       153.9217 899.5836       134.9433 75.06146 8.475799 83.81935 6.654334 -8.757889      10.77587 
1 1 1 5   29 5  o 51.70641 7.277553 368.3673       86.38466 452.9447       138.9242 315.0506       110.3017 56.27861 10.59179 47.13421 9.983244 9.144398       14.55511 
1 1 1 5   29 6  o 25.57032 10.93544 40.86853       120.1884 0.000000       0.000000 40.86853       120.1884 ?        ?        25.57032 10.93544 ?              ?        
1 1 1 5   29 7  o 39.15271 8.349997 231.9461       86.83729 321.1184       133.7954 167.0434       114.1451 45.08155 12.03977 33.22387 11.57297 11.85768       16.69999 
1 1 1 5   29 8  o 48.54531 11.89036 379.7740       138.5437 0.000000       0.000000 379.7740       138.5437 ?        ?        48.54531 11.89036 ?              ?        
1 1 1 6   0  1  o 134.5501 2.282689 2194.139       104.9501 2194.139       104.9501 2194.139       104.9501 134.5501 3.228210 134.5501 3.228210 0.000000       0.000000 
1 1 1 6   0  2  o 364.7309 4.712335 16120.06       587.6232 16120.06       587.6232 16120.06       587.6232 364.7309 6.664248 364.7309 6.664248 0.000000       0.000000 
1 1 1 6   0  3  o 81.43105 1.907209 804.8698       53.00596 804.8698       53.00596 804.8698       53.00596 81.43105 2.697201 81.43105 2.697201 0.000000       0.000000 
1 1 1 6   0  4  o 194.3516 2.851908 4576.189       189.4605 4576.189       189.4605 4576.189       189.4605 194.3516 4.033207 194.3516 4.033207 0.000000       0.000000 
1 1 1 6   0  5  o 181.0983 2.723832 3973.342       168.6041 3973.342       168.6041 3973.342       168.6041 181.0983 3.852080 181.0983 3.852080 0.000000       0.000000 
1 1 1 6   0  6  o 647.5527 8.039241 50820.89       1779.941 50820.89       1779.941 50820.89       1779.941 647.5527 11.36920 647.5527 11.36920 0.000000       0.000000 
1 1 1 6   0  7  o 172.8888 2.656390 3621.265       156.9686 3621.265       156.9686 3621.265       156.9686 172.8888 3.756703 172.8888 3.756703 0.000000       0.000000 
1 1 1 6   0  8  o 100.1094 2.094407 1215.594       71.59652 1215.594       71.59652 1215.594       71.59652 100.1094 2.961939 100.1094 2.961939 0.000000       0.000000 
1 1 1 6   0  9  o 104.6429 2.139317 1328.068       76.45045 1328.068       76.45045 1328.068       76.45045 104.6429 3.025450 104.6429 3.025450 0.000000       0.000000 
1 1 1 6   0  10 o 324.3813 4.265972 12750.55       473.0992 12750.55       473.0992 12750.55       473.0992 324.3813 6.032995 324.3813 6.032995 0.000000       0.000000 
1 1 1 6   0  11 o 46.40550 2.344708 264.5460       36.79177 264.5460       36.79177 264.5460       36.79177 46.40550 3.315918 46.40550 3.315918 0.000000       0.000000 
1 1 1 6   0  12 o 362.5885 4.707507 15943.91       583.5686 15943.91       583.5686 15943.91       583.5686 362.5885 6.657420 362.5885 6.657420 0.000000       0.000000 
1 1 1 6   0  13 o 40.59422 2.818444 205.1736       38.28008 205.1736       38.28008 205.1736       38.28008 40.59422 3.985882 40.59422 3.985882 0.000000       0.000000 
1 1 1 6   0  14 o 157.0549 2.576936 2990.590       138.3070 2990.590       138.3070 2990.590       138.3070 157.0549 3.644338 157.0549 3.644338 0.000000       0.000000 
1 1 1 6   0  15 o 12.71712 5.129544 25.20835       35.00017 25.20835       35.00017 25.20835       35.00017 12.71712 7.254270 12.71712 7.254270 0.000000       0.000000 
1 1 1 6   0  16 o 71.41077 2.330556 621.4850       56.66674 621.4850       56.66674 621.4850       56.66674 71.41077 3.295904 71.41077 3.295904 0.000000       0.000000 
1 1 1 6   0  17 o 9.943045 4.554340 -1.595020      36.64025 -1.595020      36.64025 -1.595020      36.64025 9.943045 6.440810 9.943045 6.440810 0.000000       0.000000 
1 1 1 6   0  18 o 25.18288 5.530234 96.85559       41.74051 96.85559       41.74051 96.85559       41.74051 25.18288 7.820931 25.18288 7.820931 0.000000       0.000000 
1 1 1 6   0  19 o 78.31670 2.491921 749.7064       66.46595 749.7064       66.46595 749.7064       66.46595 78.31670 3.524108 78.31670 3.524108 0.000000       0.000000 
1 1 1 6   0  20 o 81.22646 2.517383 807.7940       69.65646 807.7940       69.65646 807.7940       69.65646 81.22646 3.560117 81.22646 3.560117 0.000000       0.000000 
1 1 1 6   2  0  o 33.44129 1.869889 135.3303       15.12603 138.1841       21.38289 132.4720       21.39999 33.79430 2.615295 33.08829 2.673234 0.7060089      3.739779 
1 1 1 6   2  1  o 198.7548 2.892093 4780.942       139.0632 4819.893       197.8359 4742.900       195.5146 199.5547 4.097706 197.9549 4.082355 1.599823       5.784186 
1 1 1 6   2  3  o 376.5004 4.843408 17153.19       440.8337 17608.20       639.0129 16740.00       608.9398 381.2535 6.927771 371.7473 6.770555 9.506195       9.686816 
1 1 1 6   2  4  o 221.5896 3.830129 5984.914       194.9724 6076.723       241.5367 5813.207       330.3187 224.0724 4.455460 219.1069 6.231245 4.965454       7.660257 
1 1 1 6   2  5  f 299.3293 4.628364 10584.70       281.3872 10372.27       318.8018 11333.73       598.6324 292.7624 4.500940 305.8963 8.088792 -13.13391      9.256728 
1 1 1 6   2  6  o 708.4590 10.08988 61277.61       1512.607 61694.00       1758.885 60095.18       2964.003 713.6137 10.18760 703.3042 17.41940 10.30951       20.17975 
1 1 1 6   2  7  o 478.2379 6.977242 27614.35       695.4363 27529.34       800.3782 27876.26       1404.880 476.8960 6.936962 479.5798 12.10810 -2.683777      13.95448 
1 1 1 6   2  8  o 416.1968 6.146970 20871.39       531.9857 20769.36       611.3152 21189.77       1079.860 414.2368 6.099781 418.1568 10.67397 -3.919983      12.29394 
1 1 1 6   2  9  o 123.9415 2.844278 1927.319       80.95399 2117.813       102.8358 1616.895       131.2746 132.2992 3.212808 115.5838 4.694415 16.71542       5.688556 
1 1 1 6   2  10 o 319.9711 4.868315 12448.28       327.3338 12489.84       378.8924 12326.00       649.9564 321.1745 4.876099 318.7678 8.427670 2.406708       9.736629 
1 1 1 6   2  11 o 481.6737 7.014198 28470.08       717.0833 28751.71       835.9957 27685.90       1394.965 486.8524 7.097484 476.4951 12.10048 10.35736       14.02840 
1 1 1 6   2  12 o 257.7760 4.093876 8135.361       222.9541 8219.934       259.2699 7895.301       436.8127 260.5210 4.113458 255.0310 7.079459 5.490021       8.187752 
1 1 1 6   2  13 o 139.1034 2.860217 2341.403       81.86821 2339.169       93.71098 2348.602       168.2451 139.0129 2.786333 139.1940 4.995970 -0.1810455     5.720434 
1 1 1 6   2  14 o 229.0413 3.785065 6317.916       179.3777 6275.486       205.5727 6453.302       367.2166 227.6081 3.733151 230.4745 6.585626 -2.866486      7.570131 
1 1 1 6   2  15 f 120.6978 2.365268 1763.990       69.04833 1728.479       96.22523 1801.683       99.13807 119.4470 3.329747 121.9485 3.360172 -2.501503      4.730536 
1 1 1 6   2  16 o 42.74900 2.922724 222.1973       30.17742 209.5180       42.97622 234.5299       42.38456 41.53879 4.276338 43.95922 3.985248 -2.420429      5.845448 
1 1 1 6   2  17 o 50.66679 2.708001 312.5317       33.14250 299.1373       47.51030 325.2281       46.25602 49.59929 3.959224 51.73429 3.695621 -2.135002      5.416001 
1 1 1 6   2  18 o 24.99157 4.521763 76.09090       28.81441 120.2886       43.35887 41.13303       38.56120 30.73627 6.046154 19.24686 6.725281 11.48941       9.043527 
1 1 1 6   2  19 o 44.36053 3.338932 241.5096       35.80346 251.2763       51.97966 232.6928       49.38724 45.20795 4.752436 43.51310 4.691292 1.694855       6.677864 
1 1 1 6   2  20 o 64.68867 2.708998 513.9082       42.39497 517.9207       59.80425 509.8549       60.10800 64.94884 3.805908 64.42851 3.856132 0.5203247      5.417997 
1 1 1 6   4  0  o 378.5144 4.879395 17357.85       446.8356 17340.64       630.6240 17375.19       633.2260 378.3270 6.889708 378.7018 6.911288 -0.3748169     9.758790 
1 1 1 6   4  1  o 264.4092 3.593859 8449.266       229.6297 8758.195       334.8015 8174.853       315.5443 268.9624 5.145097 259.8561 5.019091 9.106293       7.187718 
1 1 1 6   4  2  o 266.0908 3.617154 8549.483       232.4623 8940.155       341.1755 8210.954       317.5925 271.7470 5.189324 260.4346 5.040448 11.31235       7.234308 
1 1 1 6   4  3  o 364.4903 4.715686 16084.53       415.7438 16337.95       596.0757 15844.47       580.1487 367.2824 6.708091 361.6982 6.629652 5.584229       9.431372 
1 1 1 6   4  4  o 438.1072 5.563794 23247.55       589.6895 23098.24       828.1153 23401.15       839.9035 436.6824 7.838317 439.5320 7.898354 -2.849609      11.12759 
1 1 1 6   4  5  o 304.5190 4.036290 11223.54       297.3690 11195.92       419.5438 11251.43       421.5501 304.1427 5.701611 304.8954 5.714734 -0.7527161     8.072579 
1 1 1 6   4  6  o 449.9980 5.699930 24516.63       620.5556 24564.91       879.0859 24468.67       876.1180 450.4394 8.066640 449.5566 8.055192 0.8827209      11.39986 
1 1 1 6   4  7  o 579.9830 7.231736 40749.27       1014.716 40549.33       1427.734 40953.35       1442.428 578.5477 10.20014 581.4183 10.25423 -2.870605      14.46347 
1 1 1 6   4  8  o 277.8279 4.659112 8909.049       280.0364 8417.609       325.1669 10320.05       550.9788 263.7298 5.096181 291.9261 7.801170 -28.19623      9.318225 
1 1 1 6   4  9  o 445.1478 6.525972 24116.37       611.8070 24210.24       709.1000 23842.95       1210.166 447.1046 6.555353 443.1910 11.28630 3.913544       13.05194 
1 1 1 6   4  10 o 339.1537 5.116992 14034.84       366.2293 14128.55       425.2169 13765.62       720.7300 341.5536 5.145757 336.7539 8.846219 4.799713       10.23398 
1 1 1 6   4  11 o 219.5681 3.667290 5808.657       166.4087 5778.953       190.6643 5903.629       340.9269 218.4856 3.606984 220.6505 6.386370 -2.164856      7.334579 
1 1 1 6   4  12 o 137.7207 2.893600 2341.209       82.17229 2382.955       94.60629 2212.969       165.8154 140.3134 2.786882 135.1279 5.071980 5.185425       5.787200 
1 1 1 6   4  13 o 120.7025 2.841253 1787.199       69.44240 1806.157       79.17168 1723.974       144.5853 122.1541 2.678920 119.2509 5.011412 2.903130       5.682505 
1 1 1 6   4  14 f 96.91387 2.874812 1142.058       54.83547 1144.911       61.70977 1131.350       119.5512 97.25109 2.622751 96.57665 5.116576 0.6744385      5.749624 
1 1 1 6   4  15 o 178.5435 3.274991 3843.259       120.0900 3821.204       137.1969 3915.527       248.3450 177.6002 3.192998 179.4869 5.719005 -1.886642      6.549981 
1 1 1 6   4  16 o 216.1507 3.678693 5671.453       164.4528 5657.856       188.6681 5714.456       335.5317 215.9510 3.611112 216.3505 6.410227 -0.3994751     7.357387 
1 1 1 6   4  17 o 89.14908 2.996673 964.8887       51.27985 963.1216       57.17299 972.1594       115.9694 89.11562 2.651763 89.18253 5.374788 -0.6690979E-01 5.993346 
1 1 1 6   4  18 o 26.32125 4.208158 79.81306       29.36602 155.6253       45.01984 23.66705       38.74304 35.60226 5.226657 17.04023 6.596700 18.56203       8.416317 
1 1 1 6   4  19 o 126.1025 3.543600 1942.090       108.1112 0.000000       0.000000 1942.090       108.1112 ?        ?        126.1025 3.543600 ?              ?        
1 1 1 6   4  20 o 29.12589 4.934767 111.4572       34.07599 116.8066       51.96108 107.4205       45.13758 29.66748 7.291144 28.58430 6.651835 1.083179       9.869534 
1 1 1 6   6  0  o 141.8436 2.418216 2434.588       82.98578 2427.535       117.0742 2441.710       117.6471 141.6372 3.416502 142.0500 3.423241 -0.4128418     4.836431 
1 1 1 6   6  1  o 354.4783 4.603420 15208.52       394.6270 15507.45       568.2527 14930.06       548.4478 357.8375 6.563771 351.1191 6.456222 6.718353       9.206840 
1 1 1 6   6  2  o 813.6414 12.34140 80711.14       2291.925 80511.60       3959.020 80811.72       2810.833 811.9097 20.15476 815.3729 14.24874 -3.463196      24.68281 
1 1 1 6   6  3  o 377.0886 4.870780 17216.04       444.3311 17343.46       633.3752 17092.56       623.4993 378.4608 6.917319 375.7163 6.859202 2.744476       9.741559 
1 1 1 6   6  4  o 443.0624 5.630237 23744.54       602.9749 23182.08       831.6915 24367.76       875.4617 437.5436 7.856671 448.5813 8.066659 -11.03763      11.26047 
1 1 1 6   6  5  o 79.65948 2.196153 767.5685       42.30604 762.9147       58.86197 772.5415       60.84695 79.40990 3.063781 79.90907 3.147317 -0.4991760     4.392307 
1 1 1 6   6  6  o 118.1895 2.283346 1687.693       65.24590 1616.201       90.38455 1765.483       94.28207 115.5795 3.232295 120.7995 3.225980 -5.219963      4.566692 
1 1 1 6   6  7  o 376.4354 4.856689 17150.65       442.2442 16955.96       618.6920 17354.05       632.3885 374.2529 6.832930 378.6179 6.903678 -4.364990      9.713378 
1 1 1 6   6  8  o 215.7245 3.117498 5631.746       162.7055 5656.349       230.8305 5607.451       229.3770 216.1927 4.413162 215.2564 4.404449 0.9363098      6.234996 
1 1 1 6   6  9  f 207.4533 3.030028 5208.811       152.0675 5272.530       216.6777 5146.964       213.4700 208.7031 4.291242 206.2034 4.278964 2.499710       6.060057 
1 1 1 6   6  10 o 266.2151 3.642147 8584.730       234.5800 8582.303       331.2873 8587.171       332.2071 266.1778 5.144351 266.2524 5.157189 -0.7458496E-01 7.284294 
1 1 1 6   6  11 o 112.6229 2.875130 1580.555       64.57318 1616.555       73.41132 1457.466       135.7437 115.5744 2.625421 109.6714 5.115922 5.903015       5.750261 
1 1 1 6   6  12 o 131.7731 2.891956 2014.243       75.30494 1952.832       84.21122 2259.369       168.2453 127.0192 2.740302 136.5271 5.093563 -9.507904      5.783912 
1 1 1 6   6  13 o 250.8265 4.083992 7535.455       209.8176 7450.389       239.0992 7820.345       437.5620 247.9900 3.985122 253.6629 7.129849 -5.672897      8.167983 
1 1 1 6   6  14 o 106.0971 2.965078 1355.823       61.11808 1350.025       68.35445 1378.941       136.4857 105.5982 2.675518 106.5960 5.292291 -0.9977798     5.930155 
1 1 1 6   6  15 o 67.28428 3.588197 571.4870       42.05111 581.5038       45.91212 519.3337       104.7619 69.28907 2.738800 65.27949 6.633220 4.009583       7.176394 
1 1 1 6   6  16 o 187.4745 3.405035 4202.638       129.4037 4142.246       146.7277 4414.040       274.5216 184.7923 3.281904 190.1567 5.967091 -5.364380      6.810071 
1 1 1 6   6  17 o 129.0454 3.045215 2147.880       80.76543 2269.671       93.93223 1802.499       158.1818 136.7487 2.839155 121.3422 5.388184 15.40655       6.090429 
1 1 1 6   6  18 o 21.62354 5.428993 54.43458       31.26524 63.46007       33.85731 2.168947       81.47516 22.29717 6.099763 20.94990 8.982692 1.347273       10.85799 
1 1 1 6   6  19 o 50.61047 4.052615 266.9279       39.09166 239.4477       42.68694 409.7561       97.31783 44.19667 3.992116 57.02426 7.053918 -12.82759      8.105230 
1 1 1 6   6  20 o 52.76387 4.718889 344.9922       52.70489 334.8879       60.93186 375.0149       105.0306 51.89524 4.853049 53.63250 8.094416 -1.737263      9.437778 
1 1 1 6   8  0  o 550.3469 6.889979 36695.91       917.2244 36299.51       1282.359 37111.15       1312.467 547.3104 9.684422 553.3834 9.803021 -6.072937      13.77996 
1 1 1 6   8  1  o 72.38164 2.279274 633.5750       39.86967 593.0067       55.72471 676.1221       57.06773 70.00867 3.289983 74.75461 3.155370 -4.745934      4.558547 
1 1 1 6   8  2  o 560.0624 7.010277 38002.58       949.8571 37843.70       1336.590 38164.70       1350.113 558.8824 9.884976 561.2425 9.942997 -2.360107      14.02055 
1 1 1 6   8  3  o 434.7975 5.541337 22850.35       582.1416 23600.29       850.0347 22187.94       798.8888 441.4990 7.958013 428.0960 7.713346 13.40298       11.08267 
1 1 1 6   8  4  o 872.6528 10.75125 92380.44       2269.504 93321.55       3245.070 91479.42       3175.197 876.9868 15.29427 868.3189 15.11434 8.667908       21.50251 
1 1 1 6   8  5  o 403.1427 5.167423 19674.33       503.9957 19751.13       715.4357 19598.67       710.1094 403.9231 7.320986 402.3622 7.294671 1.560913       10.33485 
1 1 1 6   8  6  o 803.4633 9.924731 78296.99       1928.481 79632.21       2774.583 77049.09       2682.325 810.0651 14.15714 796.8613 13.91318 13.20380       19.84946 
1 1 1 6   8  7  o 251.9766 3.503385 7675.625       213.4073 7473.576       294.7737 7898.168       309.3615 248.4972 4.903034 255.4560 5.005505 -6.958725      7.006770 
1 1 1 6   8  8  o 504.7941 6.358837 30905.95       776.5751 30790.91       1093.651 31022.94       1102.893 503.8498 8.971716 505.7384 9.013742 -1.888580      12.71767 
1 1 1 6   8  9  o 431.6685 5.507450 22589.13       574.8436 22142.87       796.7136 23073.71       830.2248 427.2377 7.707800 436.0994 7.868788 -8.861755      11.01490 
1 1 1 6   8  10 o 287.2205 3.873249 9993.860       269.0880 10159.40       385.6093 9836.736       375.6806 289.5354 5.504827 284.9056 5.450239 4.629791       7.746497 
1 1 1 6   8  11 f 154.8830 2.591127 2903.644       97.06982 2858.710       135.4282 2951.120       139.2046 153.6520 3.643078 156.1139 3.685612 -2.461914      5.182254 
1 1 1 6   8  12 o 274.0426 3.739676 9105.211       247.9263 9194.878       353.2473 9018.162       348.0518 275.3704 5.302239 272.7148 5.275127 2.655670       7.479352 
1 1 1 6   8  13 o 147.0567 3.296767 2574.508       107.1357 2508.506       126.9705 2737.656       199.6258 143.9061 3.646877 150.2072 5.493175 -6.301132      6.593534 
1 1 1 6   8  14 o 168.8961 3.512584 3511.521       133.5333 3601.583       162.6637 3325.402       233.8389 172.3717 3.900518 165.4206 5.842853 6.951111       7.025167 
1 1 1 6   8  15 o 92.03125 3.479379 1161.303       58.91835 1250.584       66.37367 829.5063       127.9533 101.6007 2.700207 82.46185 6.413516 19.13880       6.958757 
1 1 1 6   8  16 o 214.2958 3.685039 5775.639       168.6827 5989.229       198.8673 5227.841       318.4805 222.0289 3.702129 206.5627 6.372777 15.46620       7.370077 
1 1 1 6   8  17 o 70.69507 3.522424 597.0569       46.24316 588.9033       50.91670 635.4551       110.4946 69.61770 3.023001 71.77244 6.363281 -2.154739      7.044848 
1 1 1 6   8  18 o 85.73665 3.174671 847.9420       52.29753 815.6109       57.86388 992.1475       122.2049 81.87426 2.921177 89.59904 5.637452 -7.724777      6.349341 
1 1 1 6   8  19 o 84.26036 3.407617 851.9678       54.09800 836.8616       59.78999 920.1666       127.0395 82.82401 2.983802 85.69672 6.127344 -2.872711      6.815234 
1 1 1 6   8  20 o 52.98555 6.358065 496.4433       50.23180 543.1962       54.51203 233.3135       129.3222 66.50128 3.388130 39.46982 12.25645 27.03146       12.71613 
1 1 1 6   10 0  o 674.8106 8.374782 55100.50       1365.544 56812.34       1992.422 53584.10       1875.241 684.6598 12.02830 664.9614 11.65624 19.69836       16.74956 
1 1 1 6   10 1  o 462.6865 5.871426 25874.21       656.3115 26737.40       959.5428 25115.38       899.6761 469.9182 8.439949 455.4549 8.164668 14.46329       11.74285 
1 1 1 6   10 2  o 283.2085 3.851020 9706.230       263.8639 9687.770       372.1773 9724.888       374.1502 282.9379 5.436964 283.4791 5.455351 -0.5411377     7.702041 
1 1 1 6   10 3  o 420.4446 5.379707 21330.42       545.8133 20475.87       740.4645 22347.21       807.7043 411.2610 7.441911 429.6284 7.770647 -18.36740      10.75941 
1 1 1 6   10 4  o 447.3855 5.688708 24212.62       615.2851 23655.22       850.5844 24824.41       891.1193 441.9949 7.954224 452.7762 8.134858 -10.78125      11.37742 
1 1 1 6   10 5  o 276.5414 3.767032 9255.763       252.0350 9237.951       355.9747 9273.665       356.8897 276.2747 5.325688 276.8081 5.329088 -0.5334778     7.534065 
1 1 1 6   10 6  o 234.7982 3.343121 6671.449       189.8931 6752.280       270.8024 6593.253       266.3517 236.1969 4.738884 233.3995 4.716864 2.797394       6.686241 
1 1 1 6   10 7  o 526.0310 8.050541 34044.70       987.6182 31980.97       1602.281 35309.17       1254.203 512.6713 12.91806 539.3907 9.610860 -26.71936      16.10108 
1 1 1 6   10 8  o 210.0429 3.097392 5317.969       156.9688 5032.384       212.5701 5660.435       232.7785 203.8721 4.309649 216.2137 4.449974 -12.34154      6.194784 
1 1 1 6   10 9  o 281.5422 3.821652 9600.546       260.2345 9795.253       373.7155 9417.259       362.5908 284.3095 5.433096 278.7749 5.376018 5.534576       7.643305 
1 1 1 6   10 10 o 113.9980 2.402219 1573.007       66.21478 1648.990       94.41989 1499.477       92.88271 116.7077 3.343964 111.2883 3.449715 5.419464       4.804438 
1 1 1 6   10 11 o 147.7403 3.663184 2643.325       130.9363 0.000000       0.000000 2643.325       130.9363 ?        ?        147.7403 3.663184 ?              ?        
1 1 1 6   10 12 o 210.6439 3.812065 5359.430       183.0915 5451.517       318.6062 5314.024       223.7217 211.8922 6.214941 209.3956 4.416093 2.496628       7.624130 
1 1 1 6   10 13 o 234.8409 4.114174 6636.715       219.0118 6875.669       387.1642 6524.268       265.5900 237.7591 6.730630 231.9227 4.733323 5.836411       8.228349 
1 1 1 6   10 14 o 102.5023 2.486207 1271.868       61.53938 1386.346       88.76787 1165.937       85.39005 106.9418 3.430884 98.06271 3.599159 8.879082       4.972414 
1 1 1 6   10 15 o 92.00401 3.398839 1047.775       68.02171 1071.739       80.74090 989.1732       126.2596 93.97213 3.551340 90.03590 5.796240 3.936226       6.797677 
1 1 1 6   10 16 o 127.6984 3.210249 1996.754       91.69400 2009.330       110.5737 1969.066       164.0710 128.5504 3.555301 126.8464 5.346273 1.703941       6.420498 
1 1 1 6   10 17 o 92.02272 3.731781 1043.076       81.57592 1051.874       106.0733 1030.339       127.6247 92.64333 4.732491 91.40211 5.771332 1.241226       7.463561 
1 1 1 6   10 18 o 35.03167 6.083380 156.1224       44.06275 152.2690       49.53406 170.7317       96.44935 34.48254 6.163705 35.58081 10.48994 -1.098274      12.16676 
1 1 1 6   10 19 o 27.60030 6.025135 109.6907       42.83858 127.6326       47.09781 23.73587       103.0867 31.24789 6.443890 23.95271 10.18260 7.295187       12.05027 
1 1 1 6   10 20 o 33.32009 6.634915 130.4892       43.97216 116.2049       47.83133 208.4474       111.7414 29.39959 6.851448 37.24058 11.36425 -7.840988      13.26983 
1 1 1 6   12 0  o 323.3532 4.304891 12643.61       336.5205 12946.72       487.4771 12367.65       465.1325 327.0498 6.160812 319.6566 6.014378 7.393219       8.609782 
1 1 1 6   12 1  o 371.0007 4.833866 16641.29       433.4846 16183.46       597.6870 17149.38       629.6401 365.6274 6.756671 376.3740 6.914654 -10.74664      9.667732 
1 1 1 6   12 2  o 529.5942 6.655874 33977.06       852.7286 33708.40       1196.228 34254.63       1215.893 527.4694 9.373775 531.7191 9.451719 -4.249695      13.31175 
1 1 1 6   12 3  o 475.0168 6.020044 27311.08       691.3978 26759.07       957.2325 27913.19       999.7189 470.0098 8.417986 480.0239 8.608208 -10.01407      12.04009 
1 1 1 6   12 4  o 88.80858 2.600658 954.5092       55.84745 995.4088       79.28185 914.2263       78.68202 90.69766 3.613061 86.91950 3.741588 3.778160       5.201316 
1 1 1 6   12 5  o 129.5229 2.578370 2030.567       80.75253 2039.867       112.4956 2020.681       115.9871 129.8299 3.581446 129.2159 3.710150 0.6139832      5.156740 
1 1 1 6   12 6  o 246.2068 3.466235 7339.730       206.4571 7293.152       289.9247 7387.650       294.0683 245.4154 4.882936 246.9983 4.920984 -1.582855      6.932471 
1 1 1 6   12 7  o 104.2358 2.435251 1315.168       61.41031 1332.091       86.94161 1298.319       86.75328 104.9054 3.425529 103.5663 3.462303 1.339043       4.870502 
1 1 1 6   12 8  o 210.7539 3.818288 5224.103       178.8909 5783.462       332.8327 4996.867       212.1380 218.3841 6.299450 203.1236 4.316737 15.26047       7.636576 
1 1 1 6   12 9  o 378.8574 4.915834 17422.61       450.5555 17303.88       632.9365 17544.58       641.5135 377.5533 6.929143 380.1614 6.974860 -2.608063      9.831669 
1 1 1 6   12 10 o 144.7833 2.592232 2538.438       90.79664 2577.239       128.9046 2500.233       127.9128 145.8819 3.652285 143.6848 3.679604 2.197159       5.184464 
1 1 1 6   12 11 o 219.8828 3.226028 5857.552       171.5671 5972.066       246.3160 5749.642       239.1095 221.9669 4.586720 217.7988 4.537733 4.168045       6.452055 
1 1 1 6   12 12 o 226.8339 3.305850 6238.329       181.3854 6156.833       253.3891 6323.978       259.7650 225.3182 4.648248 228.3495 4.701952 -3.031311      6.611699 
1 1 1 6   12 13 o 138.9808 2.642015 2340.522       88.80034 2436.177       127.1650 2249.485       124.0579 141.7530 3.707943 136.2086 3.764589 5.544418       5.284030 
1 1 1 6   12 14 o 84.07098 2.674919 854.8507       54.29867 932.0877       79.30880 786.7021       74.49673 87.63609 3.740555 80.50586 3.824788 7.130234       5.349837 
1 1 1 6   12 15 o 68.64172 2.881016 573.3841       47.05080 720.2159       68.62341 443.1228       64.63531 76.97247 3.684974 60.31096 4.429669 16.66151       5.762031 
1 1 1 6   12 16 o 51.67107 3.357871 325.8125       41.89917 342.8759       61.59622 311.1180       57.16081 52.91838 4.811109 50.42375 4.685555 2.494637       6.715742 
1 1 1 6   12 17 o 18.15799 5.059288 12.96905       38.89787 57.38174       42.55508 -212.6115      95.90667 21.69300 7.066117 14.62297 7.242622 7.070034       10.11858 
1 1 1 6   12 18 o 18.04707 5.016411 3.254555       41.59920 62.72915       45.70649 -283.7597      100.4070 22.44630 7.323649 13.64784 6.857235 8.798460       10.03282 
1 1 1 6   12 19 o 86.46490 3.682699 952.1018       62.27351 963.3306       70.24611 910.8864       134.5816 88.59787 3.277153 84.33193 6.596162 4.265938       7.365397 
1 1 1 6   12 20 o 35.35155 7.286992 201.8733       70.26025 245.5681       85.76461 112.7067       122.5163 41.48394 8.816986 29.21917 11.60439 12.26477       14.57398 
1 1 1 6   14 0  o 92.43935 2.779190 1035.520       62.04291 1061.220       85.86394 1007.442       89.74878 93.64259 3.789964 91.23610 4.065927 2.406487       5.558380 
1 1 1 6   14 1  o 162.8418 2.816378 3207.692       110.8961 3161.938       153.8476 3257.175       159.9944 161.6347 3.934175 164.0489 4.031153 -2.414154      5.632755 
1 1 1 6   14 2  o 489.0585 6.197127 28994.77       732.9522 29533.37       1054.970 28492.21       1019.064 493.4356 8.837049 484.6814 8.690461 8.754211       12.39425 
1 1 1 6   14 3  o 265.7169 3.694553 8549.576       237.4904 8495.216       333.2880 8605.647       338.4969 264.8603 5.201165 266.5735 5.248502 -1.713287      7.389106 
1 1 1 6   14 4  o 238.1972 3.422412 6864.444       197.0946 6704.470       272.6869 7039.438       285.2018 235.2967 4.790117 241.0976 4.889416 -5.800919      6.844823 
1 1 1 6   14 5  o 332.7516 4.409700 13413.13       354.8451 13151.96       492.9737 13693.94       511.1744 329.3979 6.185866 336.1053 6.286246 -6.707397      8.819401 
1 1 1 6   14 6  o 86.75490 2.654262 910.6690       55.60796 989.1348       79.77828 836.5214       77.55204 90.38938 3.648085 83.12042 3.856410 7.268959       5.308524 
1 1 1 6   14 7  o 197.3958 4.271996 4719.481       204.0192 4719.481       204.0192 0.000000       0.000000 197.3958 4.271996 ?        ?        ?              ?        
1 1 1 6   14 8  o 70.15007 2.952920 598.1051       49.71144 505.7415       69.68026 693.8438       70.94192 64.60933 4.457714 75.69081 3.873981 -11.08148      5.905839 
1 1 1 6   14 9  o 365.4795 4.775645 16220.23       422.2446 16098.26       592.7340 16345.91       601.6541 364.0898 6.728976 366.8692 6.778496 -2.779327      9.551290 
1 1 1 6   14 10 o 236.5280 3.401599 6780.204       194.6052 6905.021       279.1471 6662.182       271.4413 238.6422 4.834855 234.4137 4.786198 4.228500       6.803198 
1 1 1 6   14 11 o 62.59875 3.367676 475.6945       50.95385 453.2221       72.24643 497.9359       71.87425 61.12211 4.885576 64.07538 4.636389 -2.953266      6.735351 
1 1 1 6   14 12 o 161.0141 2.797972 3132.048       108.7659 3339.205       160.2763 2955.212       148.0827 165.9263 3.992565 156.1019 3.920972 9.824341       5.595945 
1 1 1 6   14 13 f 66.00058 3.172652 529.2366       50.65080 521.6481       70.77516 537.2036       72.51877 65.51723 4.465016 66.48393 4.508493 -0.9667053     6.345304 
1 1 1 6   14 14 o 81.95107 2.804688 808.0135       55.22808 953.4089       82.65874 690.7639       74.22826 88.55073 3.858285 75.35141 4.071698 13.19932       5.609375 
1 1 1 6   14 15 o 111.7969 2.636182 1515.826       71.11095 1679.304       104.1642 1373.134       97.31680 117.4305 3.666360 106.1633 3.788881 11.26716       5.272363 
1 1 1 6   14 16 o 21.42374 5.269956 18.05704       39.64202 110.3157       62.38256 -44.43334      51.34123 29.14601 8.391977 13.70148 6.376869 15.44453       10.53991 
1 1 1 6   14 17 o 73.95306 2.981425 671.2733       53.13042 682.3637       79.00979 662.1185       71.78436 74.46204 4.385748 73.44408 4.039901 1.017952       5.962850 
1 1 1 6   14 18 o 37.76645 6.289838 212.6282       46.93483 225.8154       51.54215 148.6020       113.5706 42.55493 5.006225 32.97797 11.54062 9.576958       12.57968 
1 1 1 6   14 19 o 22.14407 6.633997 29.54261       49.41283 25.31910       54.54081 48.88757       116.7262 18.70506 7.630974 25.58308 10.85393 -6.878025      13.26799 
1 1 1 6   14 20 f 20.96933 6.625561 -5.512217      73.02701 54.28911       87.91525 -138.6080      131.1568 23.08076 9.579631 18.85790 9.155484 4.222857       13.25112 
1 1 1 6   16 0  o 349.1505 6.524435 14780.42       551.1349 14780.42       551.1349 0.000000       0.000000 349.1505 6.524435 ?        ?        ?              ?        
1 1 1 6   16 2  o 363.2125 4.758745 15994.51       418.0681 15767.28       583.3808 16234.42       599.4205 360.5672 6.687496 365.8577 6.772002 -5.290436      9.517490 
1 1 1 6   16 3  o 415.5144 5.357925 20947.23       538.4037 21338.47       774.9175 20582.10       748.6000 419.2513 7.639745 411.7775 7.514237 7.473724       10.71585 
1 1 1 6   16 4  o 234.3998 3.407647 6641.280       192.9452 6396.460       264.0160 6921.918       282.6695 229.7793 4.749163 239.0204 4.888118 -9.241196      6.815295 
1 1 1 6   16 5  o 621.2360 7.795188 47086.57       1171.504 46710.09       1643.134 47475.80       1670.724 618.7337 10.97658 623.7383 11.07134 -5.004578      15.59038 
1 1 1 6   16 6  o 226.4272 3.334178 6210.284       182.6112 6330.567       261.5580 6095.897       255.0668 228.5642 4.729962 224.2902 4.700471 4.273941       6.668355 
1 1 1 6   16 7  o 38.27753 4.935469 183.5350       43.93165 242.3237       63.12303 128.3098       61.17999 44.69264 5.837804 31.86241 7.959614 12.83023       9.870937 
1 1 1 6   16 8  o 224.5291 3.312915 6088.758       179.5694 6447.398       264.9037 5783.861       244.2506 230.6176 4.747809 218.4407 4.621680 12.17697       6.625829 
1 1 1 6   16 9  o 265.7543 3.720890 8568.303       239.2292 8627.038       340.0647 8510.757       336.6044 266.6545 5.271209 264.8540 5.253041 1.800476       7.441780 
1 1 1 6   16 10 o 213.6297 3.231255 5524.587       166.8050 5768.002       243.3379 5308.822       229.1011 218.0540 4.612574 209.2055 4.526389 8.848495       6.462510 
1 1 1 6   16 11 o 151.9880 2.782362 2801.640       102.2980 2846.229       146.1312 2758.790       143.2541 153.1726 3.943298 150.8033 3.926393 2.369293       5.564725 
1 1 1 6   16 12 o 110.4354 3.910520 1480.860       104.4829 0.000000       0.000000 1480.860       104.4829 ?        ?        110.4354 3.910520 ?              ?        
1 1 1 6   16 13 o 35.99515 5.388216 161.5504       45.16130 201.8747       70.00034 132.7992       59.10788 39.82515 7.541196 32.16515 7.698171 7.660007       10.77643 
1 1 1 6   16 14 o 111.3153 2.731592 1503.987       73.36882 1593.083       108.7199 1429.482       99.42090 114.3154 3.930992 108.3152 3.793900 6.000175       5.463184 
1 1 1 6   16 15 f 72.65060 3.167794 642.6702       55.48061 720.1911       82.14615 577.6501       75.23186 76.66304 4.428930 68.63816 4.530371 8.024879       6.335589 
1 1 1 6   16 16 f 46.81467 4.388761 269.7267       49.23095 327.7331       74.67245 225.1276       65.47652 51.24105 6.023378 42.38828 6.384655 8.852764       8.777522 
1 1 1 6   16 17 o 35.95737 5.823887 173.9334       49.13219 179.4095       75.59952 169.9291       64.64601 36.26237 8.723379 35.65237 7.718373 0.6100006      11.64777 
1 1 1 6   16 18 o 45.13840 4.859527 257.5844       52.28350 314.2433       82.95975 220.2525       67.34002 49.08603 6.985656 41.19078 6.757265 7.895256       9.719054 
1 1 1 6   16 19 o 19.29287 5.930661 8.446289       49.00608 35.54987       84.21054 -5.433104      60.26128 21.81633 9.235373 16.76940 7.443039 5.046930       11.86132 
1 1 1 6   18 0  o 253.7728 3.608383 7803.992       221.5181 7708.539       310.3801 7903.089       316.2502 252.1931 5.086962 255.3526 5.119035 -3.159546      7.216765 
1 1 1 6   18 1  o 122.2505 2.754263 1809.832       81.44722 1858.904       115.7265 1761.670       114.6486 123.8936 3.860839 120.6074 3.929094 3.286186       5.508525 
1 1 1 6   18 2  o 257.7004 3.652224 8020.457       227.1532 7646.125       308.4028 8464.339       335.8334 251.1613 5.075318 264.2395 5.253199 -13.07825      7.304447 
1 1 1 6   18 3  o 203.5268 3.152959 5016.292       155.2057 5121.726       222.9161 4917.092       216.2249 205.5997 4.481429 201.4538 4.436371 4.145920       6.305917 
1 1 1 6   18 4  o 111.1626 2.771310 1497.011       74.51643 1511.781       104.6238 1481.805       106.1572 111.7209 3.870737 110.6043 3.967120 1.116653       5.542621 
1 1 1 6   18 5  o 112.8139 2.890674 1540.971       78.83470 1629.680       112.8667 1456.465       110.1607 115.9850 4.022184 109.6427 4.152833 6.342216       5.781349 
1 1 1 6   18 6  o 190.2831 4.357052 4388.069       200.5836 0.000000       0.000000 4388.069       200.5836 ?        ?        190.2831 4.357052 ?              ?        
1 1 1 6   18 7  o 281.9487 3.902968 9645.362       266.1837 9780.675       381.0856 9516.451       371.9613 283.8742 5.548740 280.0232 5.490367 3.850952       7.805936 
1 1 1 6   18 8  o 63.64553 3.601144 491.6701       55.22509 434.4969       76.98030 552.2952       79.27016 59.82354 5.318696 67.46752 4.856380 -7.643986      7.202289 
1 1 1 6   18 9  o 139.5140 2.821062 2360.679       95.17129 2359.290       132.4524 2362.162       136.8399 139.4774 3.925125 139.5506 4.053019 -0.7319641E-01 5.642125 
1 1 1 6   18 10 o 51.22865 4.158040 324.1195       49.72319 433.9377       71.79118 222.8678       68.93422 59.73644 4.967403 42.72086 6.669489 17.01558       8.316080 
1 1 1 6   18 11 o 44.67314 4.643369 241.2743       49.85799 279.6269       75.48177 211.5897       66.40653 47.78504 6.529017 41.56124 6.604198 6.223804       9.286737 
1 1 1 6   18 12 o 113.7276 2.804000 1569.765       77.00607 1709.887       112.1462 1444.756       105.9258 118.5250 3.910861 108.9303 4.019306 9.594719       5.607999 
1 1 1 6   18 13 o 114.2207 2.848825 1577.728       78.35954 1753.718       117.8290 1438.176       104.9244 119.8720 4.062865 108.5695 3.994538 11.30248       5.697649 
1 1 1 6   18 14 o 57.93131 3.898271 414.5094       54.63512 418.7918       77.30730 410.2363       77.22421 58.23587 5.486907 57.62675 5.538944 0.6091156      7.796541 
1 1 1 6   18 15 o 103.9608 2.979194 1324.047       74.79883 1435.193       109.1277 1225.560       102.7254 108.0779 4.173458 99.84367 4.252604 8.234207       5.958388 
1 1 1 6   18 16 o 46.97142 4.835071 280.5198       54.60043 292.3266       82.57871 271.3488       72.77959 47.72995 7.151133 46.21288 6.509449 1.517067       9.670141 
1 1 1 6   18 17 o 107.0027 3.096309 1415.990       79.78812 1616.900       118.4459 1249.088       107.9570 113.9563 4.296151 100.0492 4.460001 13.90713       6.192618 
1 1 1 6   18 18 o 39.71334 5.881580 247.1225       58.09028 102.2532       87.81127 359.8579       77.46261 27.02172 10.05206 52.40496 6.109665 -25.38324      11.76316 
1 1 1 6   18 19 o 21.98605 7.373302 -19.49263      77.95775 -40.70402      85.89748 79.59548       185.6550 17.30809 8.118110 26.66402 12.31091 -9.355930      14.74660 
1 1 1 6   20 0  o 168.0211 2.937789 3416.192       119.3048 3324.118       164.3599 3518.735       173.4520 165.6348 4.101494 170.4073 4.207157 -4.772568      5.875579 
1 1 1 6   20 1  o 242.7531 3.536112 7142.625       207.6190 7017.630       289.3868 7275.207       298.0395 240.5689 4.972065 244.9373 5.029405 -4.368393      7.072224 
1 1 1 6   20 2  o 214.3170 3.286843 5567.967       170.4227 5604.711       242.0347 5531.836       240.0063 215.0178 4.652656 213.6162 4.643934 1.401611       6.573685 
1 1 1 6   20 3  o 300.6608 4.113196 10968.34       299.1039 11177.53       429.6270 10771.59       416.6642 303.4349 5.852262 297.8867 5.781397 5.548187       8.226392 
1 1 1 6   20 4  o 191.8838 3.119657 4456.964       144.7017 4304.323       199.6377 4625.919       210.0364 188.4307 4.379137 195.3369 4.444345 -6.906204      6.239315 
1 1 1 6   20 5  o 237.4045 3.491762 6828.433       200.3691 7066.656       291.1568 6614.109       276.1666 241.3250 4.986803 233.4840 4.888906 7.841080       6.983523 
1 1 1 6   20 6  o 60.15906 3.993233 439.8261       57.93694 394.7019       80.89507 487.3482       83.01654 56.97993 5.868104 63.33818 5.417472 -6.358257      7.986467 
1 1 1 6   20 7  o 129.0090 2.886512 2017.605       90.01165 2057.120       130.5984 1981.849       124.2316 130.2053 4.145786 127.8128 4.017493 2.392433       5.773023 
1 1 1 6   20 8  o 112.4305 2.863241 1534.492       77.83978 1466.603       109.4306 1604.022       110.7454 109.9069 4.115394 114.9541 3.981977 -5.047211      5.726483 
1 1 1 6   20 9  o 54.96143 4.237309 369.6099       56.25675 351.8333       80.38361 386.6754       78.75936 53.64574 6.193412 56.27713 5.784529 -2.631390      8.474617 
1 1 1 6   20 10 o 41.74620 5.533550 223.5238       53.98425 180.8442       78.87592 261.1341       74.04353 37.40430 8.853555 46.08810 6.640427 -8.683804      11.06710 
1 1 1 6   20 11 o 61.18803 3.825858 454.8371       56.28864 499.5178       85.59988 420.7979       74.71420 63.78806 5.546659 58.58801 5.270988 5.200047       7.651715 
1 1 1 6   20 12 o 39.91429 5.803403 202.6932       55.18304 259.6331       81.36513 154.1937       75.09289 45.57916 7.378528 34.24943 8.959646 11.32973       11.60681 
1 1 1 6   20 13 o 63.77119 3.818315 504.9149       58.25131 415.0154       81.50113 598.7985       83.28751 57.83029 5.825135 69.71210 4.938209 -11.88181      7.636629 
1 1 1 6   20 14 o 101.4538 3.090329 1261.023       75.61320 1364.008       112.5213 1176.226       102.1027 105.1870 4.421508 97.72063 4.318656 7.466362       6.180657 
1 1 1 6   20 15 o 103.8130 3.080305 1331.419       77.26402 1419.613       112.5249 1252.746       106.2781 107.0640 4.344132 100.5620 4.368252 6.501999       6.160610 
1 1 1 6   20 16 o 27.64448 6.627512 92.36907       58.55186 168.1472       83.70535 19.76640       81.93278 34.09986 9.689861 21.18911 9.044461 12.91075       13.25502 
1 1 1 6   20 17 o 27.47987 6.990040 107.7621       60.77715 73.95655       87.26382 139.6084       84.69738 24.67992 9.796132 30.27981 9.973887 -5.599895      13.98008 
1 1 1 6   20 18 o 17.61545 5.776155 -28.78248      59.30249 -57.56301      87.18669 -4.003644      80.89864 16.76743 7.959012 18.46347 8.373171 -1.696035      11.55231 
1 1 1 6   22 0  o 226.9404 3.415226 6249.432       187.4799 6366.260       268.2580 6137.887       262.1219 229.0111 4.841654 224.8698 4.818035 4.141342       6.830452 
1 1 1 6   22 1  f 95.83606 3.123937 1114.327       72.42634 1114.569       103.1055 1114.091       101.7604 95.84450 4.446440 95.82762 4.389204 0.1687622E-01  6.247874 
1 1 1 6   22 2  o 291.0251 4.032586 10297.58       283.9055 10413.22       404.9930 10185.85       398.1017 292.6266 5.720466 289.4237 5.685356 3.202942       8.065172 
1 1 1 6   22 3  o 64.43048 3.851609 506.9138       59.77587 549.9880       83.45855 461.5415       85.65597 67.27182 5.127850 61.58915 5.748455 5.682674       7.703219 
1 1 1 6   22 4  o 237.7455 3.505261 6845.493       201.1990 7254.361       296.5025 6496.546       273.9148 244.2879 5.016769 231.2031 4.896881 13.08481       7.010522 
1 1 1 6   22 5  o 33.65447 6.196403 143.6600       52.12658 101.1035       73.11163 187.6586       74.33997 28.92368 9.247261 38.38527 8.250443 -9.461592      12.39281 
1 1 1 6   22 6  o 91.28641 3.155495 1013.709       69.59959 1003.637       100.7640 1022.899       96.24853 90.83958 4.584882 91.73325 4.336756 -0.8936691     6.310990 
1 1 1 6   22 7  o 127.7243 3.519844 1969.080       101.4163 2044.021       180.9498 1934.758       122.4573 129.3038 5.784219 126.1449 4.012481 3.158905       7.039687 
1 1 1 6   22 8  o 21.45478 6.107738 18.42740       51.77167 -35.54383      77.67874 61.56192       69.44380 18.42084 8.292730 24.48873 8.969306 -6.067892      12.21548 
1 1 1 6   22 9  o 50.49529 4.544660 313.9449       54.85452 383.1853       80.07635 252.7243       75.29614 55.80405 5.931115 45.18654 6.887496 10.61750       9.089319 
1 1 1 6   22 10 o 102.0612 3.023230 1269.236       74.39633 1425.933       108.4787 1130.088       102.2242 108.0190 4.150897 96.10338 4.396558 11.91564       6.046459 
1 1 1 6   22 11 o 81.91669 3.444403 822.5031       68.10696 903.5443       99.50605 751.0757       93.41757 85.71930 4.798092 78.11407 4.943073 7.605232       6.888806 
1 1 1 6   22 12 o 21.59876 6.220593 6.678629       55.53198 77.91704       80.71567 -57.34675      76.52032 26.31092 9.664849 16.88659 7.834144 9.424335       12.44119 
1 1 1 6   22 13 o 69.32688 3.847068 598.0864       64.34588 633.7794       95.44433 568.3469       87.12172 71.17302 5.542841 67.48074 5.336350 3.692276       7.694136 
1 1 1 6   22 14 o 57.49198 4.495019 422.8632       62.36644 458.9294       88.69733 387.5956       87.70989 60.03798 6.106356 54.94598 6.597971 5.092007       8.990039 
1 1 1 6   22 15 o 46.14301 5.872229 300.9988       62.42167 377.2719       86.52509 218.2176       90.14104 53.69312 6.660719 38.59290 9.673009 15.10022       11.74446 
1 1 1 6   22 16 o 32.32835 7.211306 168.3139       64.22802 190.5800       83.95653 136.8947       99.73105 35.11844 9.604592 29.53827 10.75935 5.580173       14.42261 
1 1 1 6   24 0  o 196.7722 3.170904 4704.576       150.8617 4886.671       217.9880 4537.192       208.9973 200.4192 4.495634 193.1251 4.473008 7.294113       6.341807 
1 1 1 6   24 1  f 132.5299 2.906943 2134.921       93.20377 2156.809       132.5555 2113.519       131.0770 133.2013 4.113266 131.8585 4.108810 1.342850       5.813887 
1 1 1 6   24 2  o 114.7764 2.966494 1602.205       82.36350 1566.250       116.1759 1638.539       116.7857 113.4764 4.231634 116.0764 4.158561 -2.599998      5.932989 
1 1 1 6   24 3  o 37.80556 5.914280 179.2668       55.20525 267.8383       80.74346 101.5189       75.64931 46.65745 7.152931 28.95368 9.420745 17.70377       11.82856 
1 1 1 6   24 4  o 111.6916 2.966387 1519.599       80.11732 1495.587       114.5877 1542.564       112.0606 110.8142 4.274055 112.5690 4.114640 -1.754791      5.932774 
1 1 1 6   24 5  o 99.00713 3.095603 1189.534       73.94422 1317.257       108.6852 1079.465       100.8947 103.9409 4.321969 94.07336 4.433016 9.867523       6.191207 
1 1 1 6   24 6  o 171.6254 3.010721 3547.944       124.0411 3973.785       190.4992 3234.502       163.4357 180.4118 4.364414 162.8391 4.148451 17.57266       6.021441 
1 1 1 6   24 7  o 159.5278 3.019371 3084.020       115.8963 3355.272       175.4683 2874.109       154.3579 165.6568 4.378113 153.3989 4.159149 12.25797       6.038742 
1 1 1 6   24 8  o 69.46887 4.146686 597.8423       69.12499 696.1125       99.09715 504.7121       96.47076 75.14256 5.450959 63.79519 6.250366 11.34738       8.293372 
1 1 1 6   24 9  o 77.19672 3.633114 736.3239       67.73103 780.4980       95.29162 691.2207       96.28844 79.59473 4.948437 74.79870 5.320811 4.796036       7.266227 
1 1 1 6   24 10 f 28.65317 6.907898 97.46695       61.13870 39.15042       88.50182 150.7034       84.55923 23.86559 9.726686 33.44075 9.811616 -9.575169      13.81580 
1 1 1 6   24 11 o 80.16512 3.802119 803.4498       73.58424 764.4292       105.6794 840.1722       102.5202 78.17426 5.587586 82.15598 5.157840 -3.981720      7.604238 
1 1 1 6   24 12 o 43.61097 5.940312 257.2520       61.01844 205.0909       86.05994 309.9822       86.52818 38.31323 9.363535 48.90871 7.312553 -10.59547      11.88062 
1 1 1 6   24 13 o 30.72207 6.760033 120.7342       60.75010 215.4707       91.43269 45.85630       81.28674 38.53872 9.787684 22.90542 9.327026 15.63330       13.52007 
1 1 1 6   24 14 o 35.01321 7.342379 189.6897       66.86063 170.7095       93.07766 209.9249       96.10543 33.20812 10.41217 36.81829 10.35514 -3.610165      14.68476 
1 1 1 6   24 15 o 25.55066 7.294785 91.60345       69.32806 87.69519       93.08854 96.47105       103.8873 25.11415 10.06814 25.98717 10.55880 -0.8730221     14.58957 
1 1 1 6   26 0  o 32.01575 6.971697 130.8824       59.12152 138.2324       87.84592 124.7969       79.93393 32.78590 10.08852 31.24560 9.624967 1.540308       13.94339 
1 1 1 6   26 1  o 160.6877 3.011552 3135.698       116.7282 3441.139       172.9884 2880.366       158.1631 167.8285 4.260386 153.5470 4.257568 14.28151       6.023104 
1 1 1 6   26 2  o 45.91667 5.455997 265.0126       59.21594 291.1114       88.73029 244.0541       79.51370 48.27000 7.597878 43.56334 7.832234 4.706661       10.91199 
1 1 1 6   26 3  o 132.9187 2.939794 2148.617       94.26297 2301.376       139.9911 2021.905       127.4988 137.1996 4.217407 128.6378 4.096710 8.561722       5.879588 
1 1 1 6   26 4  o 86.26994 3.341579 912.7810       69.41138 917.7043       103.4395 908.7482       93.61864 86.42297 4.947150 86.11691 4.493364 0.3060608      6.683159 
1 1 1 6   26 5  o 74.67314 3.751402 679.8286       67.37685 780.5407       101.6527 600.9147       89.98171 79.55504 5.281396 69.79125 5.329064 9.763786       7.502804 
1 1 1 6   26 6  o 88.89375 3.399101 972.4397       72.91363 981.4910       107.2444 964.6595       99.42939 89.22481 4.968058 88.56268 4.640468 0.6621246      6.798202 
1 1 1 6   26 7  o 36.01950 6.859105 170.6457       63.45305 246.3687       93.87928 106.9564       86.09723 42.80697 9.328276 29.23204 10.05846 13.57493       13.71821 
1 1 1 6   26 8  o 131.9648 3.107415 2138.018       98.96835 2346.571       145.3724 1957.858       135.1147 137.9579 4.355449 125.9716 4.433304 11.98631       6.214831 
1 1 1 6   26 9  o 26.73900 7.055818 72.98330       64.37020 130.3727       92.68111 19.50153       89.47020 31.11949 10.43936 22.35850 9.495156 8.760990       14.11164 
1 1 1 6   26 10 o 67.75990 4.365565 581.1006       70.39979 733.3148       103.9697 452.2229       95.66827 76.18744 5.640543 59.33235 6.664600 16.85509       8.731130 
1 1 1 6   26 11 o 110.4298 3.250469 1517.507       86.32746 1767.803       127.4016 1305.026       117.3837 118.9300 4.427732 101.9296 4.759978 17.00031       6.500938 
1 1 1 6   26 12 o 28.84185 7.367527 120.9149       65.74863 118.8005       88.74382 123.4879       97.89322 28.59480 10.18330 29.08891 10.64998 -0.4941044     14.73505 
1 1 1 6   26 13 o 20.98665 6.654110 2.659524       71.07380 41.52781       99.96619 -37.07183      101.0700 22.76908 9.857337 19.20421 8.941008 3.564865       13.30822 
1 1 1 6   28 0  o 51.60590 5.399402 346.4237       64.83050 296.1318       94.29580 391.5057       89.27818 47.38400 8.539548 55.82780 6.609863 -8.443802      10.79880 
1 1 1 6   28 1  f 29.24574 7.162539 101.4984       62.58554 143.3131       93.84828 68.00807       83.98883 32.80600 10.47569 25.68549 9.770765 7.120506       14.32508 
1 1 1 6   28 2  o 43.73375 6.108449 248.2888       63.15231 329.7358       94.33917 182.1549       85.00940 50.84219 7.669473 36.62531 9.509563 14.21688       12.21690 
1 1 1 6   28 3  o 77.00877 3.924261 740.8220       72.88172 708.1245       105.7887 770.3620       100.5513 75.28000 5.808410 78.73754 5.278416 -3.457542      7.848522 
1 1 1 6   28 4  o 18.97430 6.090873 -37.49827      60.92355 -58.83804      90.89433 -20.09065      82.09403 18.58239 8.591660 19.36621 8.635874 -0.7838154     12.18175 
1 1 1 6   28 5  o 61.72505 4.598644 481.8137       68.33800 496.1437       102.3738 470.2959       91.78067 62.42821 6.778065 61.02188 6.216748 1.406326       9.197289 
1 1 1 6   28 6  o 26.67110 7.748648 39.65233       76.66658 -1.053175      93.14359 125.1636       135.0013 21.45631 9.398237 31.88590 12.32231 -10.42959      15.49730 
1 1 1 6   28 7  o 46.23550 6.162748 310.7696       66.29510 465.3812       92.20987 145.3395       95.38142 60.34683 6.315688 32.12417 10.58442 28.22266       12.32550 
1 1 1 6   28 8  o 17.43935 5.879154 -110.6668      69.60024 -167.5672      97.27050 -50.97106      99.63116 15.43458 7.576571 19.44413 8.991851 -4.009550      11.75831 
1 1 1 6   28 9  o 34.62259 9.005341 185.8735       108.1565 67.59072       163.0754 278.7626       144.5140 28.52437 12.46633 40.72081 12.99905 -12.19644      18.01068 
1 1 1 6   28 10 o 65.99876 8.055979 695.8820       121.5791 622.7246       187.1338 749.3159       159.9307 60.06851 13.23387 71.92902 9.190207 -11.86051      16.11196 
1 1 1 6   28 11 o 21.92889 7.256043 -58.87776      96.60233 69.85128       146.8126 -157.1684      128.2865 25.98468 11.57077 17.87310 8.758877 8.111586       14.51209 
1 1 1 7   1  0  o 86.17746 1.911906 898.5717       39.86172 893.3853       56.18867 903.8267       56.55912 85.92712 2.702814 86.42779 2.704873 -0.5006638     3.823813 
1 1 1 7   1  1  o 557.9749 13.98925 37906.01       1888.476 37906.01       1888.476 0.000000       0.000000 557.9749 13.98925 ?        ?        ?              ?        
1 1 1 7   1  2  o 128.5664 2.592716 2032.984       70.41801 2068.535       82.02738 1933.373       137.3034 130.7520 2.593034 126.3808 4.490532 4.371216       5.185432 
1 1 1 7   1  3  o 217.9687 3.555763 5843.831       165.3680 5951.376       193.7263 5555.027       317.4647 221.7631 3.610747 214.1743 6.126687 7.588791       7.111525 
1 1 1 7   1  4  o 305.4075 4.639386 11432.70       301.7534 11589.17       352.6974 11005.35       582.8664 309.4342 4.711201 301.3809 7.993759 8.053375       9.278771 
1 1 1 7   1  5  o 610.3264 8.757046 45353.16       1125.853 45520.50       1305.027 44866.15       2226.292 612.9786 8.799779 607.6743 15.14290 5.304260       17.51409 
1 1 1 7   1  6  o 589.1450 8.398187 42714.61       1062.346 43498.10       1249.103 40666.27       2019.685 599.3371 8.614393 578.9529 14.41910 20.38422       16.79637 
1 1 1 7   1  7  o 208.3045 3.458131 5329.379       153.1506 5418.725       178.9769 5085.068       295.9596 211.6299 3.495565 204.9790 5.967888 6.650894       6.916261 
1 1 1 7   1  8  o 1075.869 15.48256 138588.5       3391.266 136511.0       3852.075 145746.6       7150.341 1060.410 15.01477 1091.328 27.08128 -30.91809      30.96513 
1 1 1 7   1  9  o 209.9556 3.498398 5361.020       154.5288 5387.467       179.0345 5283.760       306.0018 211.0056 3.507037 208.9056 6.054406 2.100006       6.996795 
1 1 1 7   1  10 o 104.8529 2.586396 1355.067       56.01138 1378.382       64.52151 1283.760       112.8391 106.7319 2.498665 102.9739 4.529288 3.757988       5.172792 
1 1 1 7   1  11 f 202.2903 3.450684 4826.077       142.2247 4719.047       161.2776 5200.476       301.6396 197.4482 3.376125 207.1323 6.019192 -9.684097      6.901369 
1 1 1 7   1  12 o 231.7924 3.785125 6544.169       184.1878 6576.650       213.1853 6448.542       365.7957 233.0493 3.781004 230.5356 6.558406 2.513657       7.570250 
1 1 1 7   1  13 o 174.1371 2.713287 3669.601       114.2596 3780.731       164.6189 3566.295       158.7175 176.6781 3.851188 171.5961 3.823095 5.082031       5.426574 
1 1 1 7   1  14 o 94.21853 2.267636 1073.079       51.64315 1016.795       71.42220 1134.748       74.76104 91.63348 3.221638 96.80358 3.192137 -5.170105      4.535272 
1 1 1 7   1  15 o 172.9485 2.729404 3625.661       114.2047 3618.874       161.1507 3632.509       161.8714 172.7864 3.854964 173.1107 3.864950 -0.3242645     5.458808 
1 1 1 7   1  16 o 109.4553 2.315732 1452.627       61.32003 1467.974       86.61731 1437.206       86.82227 110.0365 3.253610 108.8741 3.296130 1.162445       4.631463 
1 1 1 7   1  17 o 170.3329 2.720000 3527.408       112.0896 3512.989       158.0658 3541.993       158.9753 169.9835 3.843516 170.6824 3.849804 -0.6988678     5.440001 
1 1 1 7   1  18 o 90.16304 2.397251 989.3750       52.29253 987.4096       74.08073 991.3269       73.82554 90.07231 3.399474 90.25378 3.380952 -0.1814651     4.794503 
1 1 1 7   1  19 o 20.46265 4.813830 40.42792       32.27135 -9.780992      46.64771 86.51552       44.69223 15.08470 6.628063 25.84060 6.982881 -10.75589      9.627661 
1 1 1 7   1  20 o 107.1746 2.520444 1406.483       65.27961 1504.013       93.94566 1315.426       90.77460 110.7864 3.504999 103.5627 3.622918 7.223679       5.040888 
1 1 1 7   3  0  o 337.5414 4.404226 13761.62       358.9315 13234.09       489.0323 14377.66       528.4701 330.5563 6.114905 344.5264 6.340092 -13.97006      8.808453 
1 1 1 7   3  1  o 279.2663 3.752111 9383.917       252.4197 10062.42       378.9837 8842.937       338.4039 288.2766 5.433866 270.2560 5.175563 18.02054       7.504222 
1 1 1 7   3  2  o 579.1172 10.25572 40809.80       1436.354 41511.01       2066.730 40154.67       1997.653 583.8943 14.63010 574.3400 14.37635 9.554321       20.51144 
1 1 1 7   3  3  o 264.5671 3.595211 8473.271       230.1236 8460.205       324.9654 8486.412       325.9246 264.3627 5.080830 264.7715 5.087958 -0.4088745     7.190421 
1 1 1 7   3  4  f 405.9251 5.187940 19955.54       509.4728 20071.03       724.9036 19842.81       716.1821 407.0840 7.360273 404.7661 7.313361 2.317871       10.37588 
1 1 1 7   3  5  o 577.0382 7.195101 40346.88       1004.422 40630.32       1430.205 40071.03       1410.926 579.0344 10.20920 575.0420 10.14151 3.992371       14.39020 
1 1 1 7   3  6  o 538.6564 7.783384 35184.21       879.2878 35213.07       1016.115 35098.16       1754.431 539.3129 7.787533 537.9998 13.47882 1.313049       15.56677 
1 1 1 7   3  7  o 382.4225 5.717473 17471.21       449.4031 17264.51       512.7763 18155.86       933.2183 377.6995 5.611505 387.1454 9.963382 -9.445984      11.43495 
1 1 1 7   3  8  o 605.4735 8.715938 44408.74       1103.305 44355.94       1272.437 44568.71       2214.725 605.1443 8.691104 605.8027 15.11076 -0.6583862     17.43188 
1 1 1 7   3  9  o 43.46303 3.363608 229.9595       26.75436 230.6578       29.44276 226.6508       64.08685 43.66197 2.787230 43.26409 6.122644 0.3978844      6.727215 
1 1 1 7   3  10 o 62.99630 2.746356 494.4474       33.71012 504.5984       37.97875 456.7520       73.18650 64.57748 2.430845 61.41512 4.925534 3.162354       5.492713 
1 1 1 7   3  11 o 335.2824 5.094016 13618.09       356.1851 13597.10       410.2603 13682.33       717.7869 335.0143 5.061669 335.5505 8.841690 -0.5361633     10.18803 
1 1 1 7   3  12 o 293.8333 4.569888 10439.38       279.1927 10404.67       320.9706 10547.29       565.9276 293.0592 4.526970 294.6072 7.939902 -1.548004      9.139776 
1 1 1 7   3  13 o 98.45053 2.772976 1127.037       53.10108 1096.739       59.09755 1254.016       120.9850 95.19041 2.566103 101.7106 4.916575 -6.520241      5.545953 
1 1 1 7   3  14 o 134.2362 2.911512 2152.536       78.96529 2127.665       89.45306 2240.333       168.0719 132.5685 2.789027 135.9039 5.111647 -3.335449      5.823023 
1 1 1 7   3  15 o 114.4049 2.821648 1548.509       64.74647 1519.286       73.00755 1656.157       140.1243 112.0097 2.694076 116.8001 4.958703 -4.790359      5.643295 
1 1 1 7   3  16 o 36.48390 4.734615 156.2835       30.97173 151.4397       33.86163 181.0827       76.61838 35.31983 3.962661 37.64797 8.600212 -2.328140      9.469231 
1 1 1 7   3  17 o 52.54075 2.737836 335.2079       34.75726 360.1321       50.17907 312.2209       48.18966 54.41954 3.811232 50.66196 3.931601 3.757584       5.475671 
1 1 1 7   3  18 f 31.65985 4.242526 124.0707       31.69035 150.7938       47.67354 102.9136       42.41909 35.00271 5.629547 28.31700 6.348566 6.685713       8.485051 
1 1 1 7   3  19 o 27.31520 4.880825 98.96724       33.16300 66.34689       48.85974 126.8318       45.15784 23.21044 7.572018 31.41998 6.160711 -8.209539      9.761650 
1 1 1 7   3  20 o 35.22450 4.375371 161.5106       35.69898 140.8480       53.93177 177.6240       47.62614 32.68822 7.028395 37.76078 5.213173 -5.072556      8.750743 
1 1 1 7   5  0  o 632.8254 7.878414 48480.29       1203.355 46706.25       1635.579 50573.84       1776.778 620.2903 10.89869 645.3605 11.37964 -25.07013      15.75683 
1 1 1 7   5  1  o 219.7133 3.129065 5839.626       166.2729 5724.523       231.4310 5962.426       239.0445 217.4775 4.398503 221.9491 4.451671 -4.471527      6.258131 
1 1 1 7   5  2  o 388.8505 4.995196 18266.09       468.9779 19057.56       690.3918 17587.97       639.0496 396.6410 7.194419 381.0599 6.931687 15.58109       9.990393 
1 1 1 7   5  3  o 154.4985 2.512100 2878.982       93.73615 2728.783       128.0538 3052.370       137.5845 150.1716 3.524540 158.8254 3.580530 -8.653809      5.024199 
1 1 1 7   5  4  o 377.0562 4.857549 17212.01       443.1100 17304.66       629.7232 17121.14       623.6257 378.0605 6.884717 376.0519 6.854471 2.008636       9.715097 
1 1 1 7   5  5  f 195.3654 2.898285 4596.084       136.6110 4917.154       202.6371 4328.576       184.9642 201.5895 4.154787 189.1413 4.042026 12.44820       5.796570 
1 1 1 7   5  6  f 397.9845 5.098594 19166.54       490.7949 19457.29       704.1270 18891.80       684.4680 400.9171 7.259289 395.0519 7.161379 5.865234       10.19719 
1 1 1 7   5  7  o 407.6743 5.213300 20074.30       513.2831 19376.46       701.0909 20880.44       753.5261 400.0622 7.243434 415.2863 7.499777 -15.22415      10.42660 
1 1 1 7   5  8  o 425.3672 5.422962 21911.92       558.0698 21808.42       785.3945 22017.46       793.1219 424.3539 7.649928 426.3805 7.688477 -2.026550      10.84592 
1 1 1 7   5  9  o 358.6031 4.655842 15545.16       403.2826 15025.63       551.6494 16141.54       591.0415 352.1900 6.474166 365.0163 6.692730 -12.82632      9.311685 
1 1 1 7   5  10 o 220.1337 3.666316 5844.994       167.3464 5821.843       192.0863 5917.906       340.8830 219.3077 3.620264 220.9597 6.376612 -1.651993      7.332633 
1 1 1 7   5  11 o 261.3619 4.159867 8354.309       228.8910 8430.896       265.5987 8133.254       451.2296 263.8533 4.160649 258.8705 7.204649 4.982788       8.319734 
1 1 1 7   5  12 o 109.2860 2.835626 1440.264       61.13232 1435.707       68.75339 1457.466       133.5907 108.9139 2.609206 109.6582 5.035388 -0.7442551     5.671252 
1 1 1 7   5  13 o 294.2674 4.599639 10474.91       281.0599 10436.90       322.9088 10593.69       570.8597 293.4568 4.548134 295.0780 7.996323 -1.621124      9.199278 
1 1 1 7   5  14 o 227.6840 3.808909 6213.387       177.8413 6145.647       202.7872 6439.024       370.1036 225.2223 3.721576 230.1458 6.646882 -4.923477      7.617819 
1 1 1 7   5  15 o 137.0408 3.026871 2307.380       83.92995 2331.718       95.66798 2226.056       174.8780 138.7437 2.850042 135.3380 5.340886 3.405685       6.053742 
1 1 1 7   5  16 o 202.9590 3.565886 4821.763       144.3238 4681.566       162.0365 5359.905       317.4623 196.4414 3.409396 209.4766 6.264039 -13.03513      7.131772 
1 1 1 7   5  17 o 128.0607 3.047837 2111.126       79.75447 2222.546       92.40965 1785.842       157.8945 135.3292 2.822432 120.7923 5.402881 14.53689       6.095675 
1 1 1 7   5  18 o 67.97180 3.510885 554.0182       43.45782 547.3402       47.62221 587.2695       106.2651 67.09435 2.933738 68.84926 6.379534 -1.754906      7.021771 
1 1 1 7   5  19 o 32.98293 4.607928 143.3682       35.38015 111.5108       53.70187 167.8011       47.02957 29.14313 7.554075 36.82273 5.279012 -7.679607      9.215857 
1 1 1 7   5  20 o 61.78299 4.149421 471.0875       62.02385 0.000000       0.000000 471.0875       62.02385 ?        ?        61.78299 4.149421 ?              ?        
1 1 1 7   7  0  o 102.0012 3.114175 1258.859       76.85117 0.000000       0.000000 1258.859       76.85117 ?        ?        102.0012 3.114175 ?              ?        
1 1 1 7   7  1  o 184.8693 2.810300 4128.452       125.5726 4301.527       182.5839 3973.108       172.9783 188.5390 4.002753 181.1996 3.945772 7.339447       5.620601 
1 1 1 7   7  2  o 416.0912 7.516295 20965.82       756.6494 20965.82       756.6494 0.000000       0.000000 416.0912 7.516295 ?        ?        ?              ?        
1 1 1 7   7  3  o 609.9496 7.599683 45065.45       1121.019 44327.53       1558.683 45856.14       1613.456 604.7899 10.65249 615.1093 10.84183 -10.31946      15.19937 
1 1 1 7   7  4  o 554.1663 6.938386 37165.34       929.6393 38059.45       1344.589 36346.52       1286.736 560.5385 9.914750 547.7942 9.708891 12.74426       13.87677 
1 1 1 7   7  5  o 777.2935 9.595976 73247.96       1804.242 72461.77       2522.417 74071.61       2581.786 773.0352 13.48700 781.5518 13.65401 -8.516602      19.19195 
1 1 1 7   7  6  o 410.7549 5.254129 20381.49       521.2717 21177.05       764.3023 19689.59       712.7715 418.2271 7.553543 403.2827 7.305305 14.94434       10.50826 
1 1 1 7   7  7  o 960.8383 11.83424 112244.1       2750.841 111528.7       3864.264 112979.2       3916.821 957.7518 16.67676 963.9247 16.79532 -6.172974      23.66848 
1 1 1 7   7  8  o 328.5615 4.326041 13057.78       343.5947 12723.55       474.2928 13426.91       498.4385 324.1461 6.047883 332.9769 6.187215 -8.830750      8.652081 
1 1 1 7   7  9  o 122.1716 2.331031 1805.225       68.86934 1768.223       95.66531 1845.032       99.22404 120.8734 3.271310 123.4698 3.321649 -2.596474      4.662062 
1 1 1 7   7  10 o 207.3419 3.037959 5203.177       152.3498 5324.604       218.7348 5088.768       212.3186 209.6893 4.311607 204.9945 4.280984 4.694809       6.075918 
1 1 1 7   7  11 o 14.66849 4.190244 10.71932       23.00287 7.495891       31.89279 14.21430       33.20906 14.15206 5.811464 15.18492 6.038168 -1.032856      8.380488 
1 1 1 7   7  12 o 199.3719 3.486091 4815.995       144.0070 4814.038       165.3925 4822.130       292.8064 199.3917 3.428517 199.3520 6.070963 0.3964233E-01  6.972182 
1 1 1 7   7  13 o 170.0509 3.270174 3554.633       114.7016 3600.959       131.9157 3411.065       232.2270 172.4487 3.161798 167.6530 5.725311 4.795715       6.540348 
1 1 1 7   7  14 o 147.2457 3.087780 2544.586       90.49170 2483.340       101.6146 2779.298       198.9231 143.2001 2.932988 151.2912 5.434622 -8.091080      6.175560 
1 1 1 7   7  15 o 163.6577 3.224159 3290.205       108.1933 3323.992       124.0256 3182.629       221.3049 165.6122 3.095399 161.7032 5.656792 3.908966       6.448317 
1 1 1 7   7  16 o 206.9944 3.817904 5334.255       182.6486 5623.814       230.5253 4845.925       299.3686 214.9857 4.432071 199.0032 6.217902 15.98250       7.635808 
1 1 1 7   7  17 o 34.56540 5.988481 170.4542       43.85170 186.9333       48.77008 100.8923       100.2011 39.06762 5.159817 30.06318 10.80851 9.004440       11.97696 
1 1 1 7   7  18 o 59.28299 4.318548 443.1412       52.13730 450.0665       59.75603 421.0589       106.7055 60.66549 4.071343 57.90049 7.617322 2.764996       8.637096 
1 1 1 7   7  19 o 43.25945 6.081622 275.6610       42.18318 286.9553       45.31741 202.3795       115.4339 48.37087 3.872388 38.14804 11.53036 10.22283       12.16324 
1 1 1 7   7  20 o 52.68829 5.414901 396.4209       45.15771 410.5745       49.14644 319.6907       114.4304 57.79588 3.514738 47.58070 10.24360 10.21517       10.82980 
1 1 1 7   9  0  o 632.8940 7.877836 48534.75       1206.094 48135.33       1689.213 48950.12       1722.627 630.2446 11.07829 635.5435 11.20324 -5.298889      15.75567 
1 1 1 7   9  1  o 524.3656 6.583993 33298.88       835.2100 33071.64       1172.885 33532.66       1189.624 522.5531 9.277323 526.1781 9.344898 -3.625000      13.16799 
1 1 1 7   9  2  o 525.6368 6.604171 33454.38       839.7229 33830.57       1200.672 33094.20       1174.844 528.5255 9.389795 522.7482 9.289351 5.777222       13.20834 
1 1 1 7   9  3  o 134.6671 3.502549 2194.142       114.1164 2194.142       114.1164 0.000000       0.000000 134.6671 3.502549 ?        ?        ?              ?        
1 1 1 7   9  4  o 773.1001 9.560872 72417.53       1786.845 70897.67       2468.573 74090.27       2589.742 764.6128 13.34449 781.5873 13.69546 -16.97455      19.12174 
1 1 1 7   9  5  o 604.7635 7.540456 44303.18       1102.902 44991.15       1584.824 43657.11       1535.808 609.3055 10.75087 600.2216 10.57604 9.083862       15.08091 
1 1 1 7   9  6  o 476.3154 6.022149 27474.39       693.8159 27140.25       968.5614 27826.57       994.3546 473.3461 8.457579 479.2846 8.575223 -5.938538      12.04430 
1 1 1 7   9  7  o 231.3701 3.298455 6479.739       184.6365 6510.624       261.4037 6448.991       260.8281 231.9204 4.658762 230.8197 4.670671 1.100739       6.596910 
1 1 1 7   9  8  o 229.5206 3.271248 6378.299       181.6496 6397.481       257.4801 6359.292       256.3066 229.8640 4.629887 229.1772 4.622598 0.6867828      6.542496 
1 1 1 7   9  9  o 308.4694 4.999629 11710.76       359.8954 10869.72       581.0417 12234.27       458.4198 299.2303 8.026006 317.7085 5.963926 -18.47818      9.999259 
1 1 1 7   9  10 o 157.8060 3.167286 3025.104       114.9639 3044.465       142.2868 2988.697       195.1119 158.5689 3.708895 157.0431 5.135261 1.525772       6.334572 
1 1 1 7   9  11 o 106.2769 2.362234 1365.266       60.65606 1469.783       87.58417 1268.935       84.08409 110.1807 3.285625 102.3731 3.394889 7.807533       4.724468 
1 1 1 7   9  12 o 218.0823 3.184183 5756.888       167.8839 5954.167       243.1232 5577.081       232.1071 221.6462 4.533815 214.5183 4.472204 7.127884       6.368366 
1 1 1 7   9  13 o 259.1996 3.601616 8150.713       225.8526 8187.479       320.6624 8114.518       318.1599 259.7784 5.102027 258.6209 5.084867 1.157501       7.203232 
1 1 1 7   9  14 o 83.76761 3.387206 894.7415       52.60777 920.5715       58.51516 785.8418       120.1486 87.18159 2.774222 80.35361 6.180319 6.827980       6.774412 
1 1 1 7   9  15 f 116.5997 3.152274 1717.956       72.66683 1770.066       82.53905 1538.370       153.2267 120.8508 2.822978 112.3487 5.637208 8.502167       6.304548 
1 1 1 7   9  16 o 34.26418 5.567644 168.0301       36.07656 179.7719       39.36052 106.3415       90.21838 38.42047 4.234438 30.10789 10.29875 8.312582       11.13529 
1 1 1 7   9  17 o 30.22169 6.029152 108.9343       35.83057 106.8810       38.62720 121.5943       95.91239 28.98050 5.712245 31.46288 10.61946 -2.482386      12.05830 
1 1 1 7   9  18 o 63.78623 3.585759 425.0102       44.80485 378.8700       49.31311 643.3076       107.2622 55.68085 3.660616 71.89160 6.166892 -16.21075      7.171517 
1 1 1 7   9  19 o 22.45013 6.252134 46.98962       41.01543 51.12280       44.74824 25.27067       102.5778 20.83612 7.246766 24.06414 10.19025 -3.228020      12.50427 
1 1 1 7   9  20 o 36.50534 6.040588 196.1601       44.38998 206.7672       49.21777 149.9108       102.7725 40.58819 5.012103 32.42249 10.99244 8.165695       12.08118 
1 1 1 7   11 0  o 520.2889 6.542408 32774.50       823.3218 32338.12       1148.554 33235.73       1180.822 516.7321 9.187214 523.8458 9.317053 -7.113647      13.08482 
1 1 1 7   11 1  o 1049.685 12.91581 133883.7       3279.273 132276.7       4577.676 135577.7       4699.924 1043.252 18.13651 1056.118 18.39400 -12.86633      25.83161 
1 1 1 7   11 2  o 536.4955 8.233519 34996.55       1012.466 34550.86       1730.474 35228.52       1248.454 533.7133 13.40154 539.2777 9.568805 -5.564392      16.46704 
1 1 1 7   11 3  o 220.1548 3.939036 5799.497       196.3243 5681.550       237.5671 6053.540       348.6548 216.6832 4.531674 223.6264 6.444219 -6.943146      7.878072 
1 1 1 7   11 4  o 363.1719 5.848291 15588.43       470.2216 16930.40       877.6234 15048.07       556.9026 373.7835 9.704782 352.5603 6.528954 21.22324       11.69658 
1 1 1 7   11 5  o 624.4182 7.809539 47299.25       1179.599 47605.75       1685.482 47005.00       1651.448 626.3877 11.12189 622.4487 10.96627 3.938965       15.61908 
1 1 1 7   11 6  o 489.3116 7.509060 29515.68       861.1013 31037.68       1106.121 27174.30       1371.923 505.8260 9.038555 472.7971 11.99368 33.02896       15.01812 
1 1 1 7   11 7  o 315.9302 4.219930 12050.61       321.6684 11544.11       435.8620 12656.44       476.6905 308.6771 5.836364 323.1834 6.096564 -14.50632      8.439860 
1 1 1 7   11 8  o 186.6038 3.559189 4260.915       152.7306 4360.309       189.8381 4078.525       257.1610 189.7635 4.134932 183.4440 5.794277 6.319443       7.118379 
1 1 1 7   11 9  o 268.9635 3.696375 8767.187       240.5309 8787.688       340.5504 8746.779       339.7750 269.2772 5.227324 268.6497 5.227604 0.6275024      7.392750 
1 1 1 7   11 10 o 372.3676 4.842691 16834.51       436.2711 16790.39       615.3072 16879.11       618.6676 371.8789 6.838930 372.8563 6.858254 -0.9773865     9.685382 
1 1 1 7   11 11 o 151.5349 2.651807 2779.735       97.19281 2699.872       135.6870 2863.891       139.2865 149.3005 3.756424 153.7693 3.744009 -4.468842      5.303614 
1 1 1 7   11 12 o 113.1404 3.557592 1550.580       97.38142 0.000000       0.000000 1550.580       97.38142 ?        ?        113.1404 3.557592 ?              ?        
1 1 1 7   11 13 o 163.5927 2.752854 3243.145       108.9277 3188.239       151.9582 3301.177       156.2245 162.1709 3.873011 165.0146 3.913134 -2.843658      5.505709 
1 1 1 7   11 14 o 107.2437 3.532383 1394.939       91.65200 0.000000       0.000000 1394.939       91.65200 ?        ?        107.2437 3.532383 ?              ?        
1 1 1 7   11 15 o 80.60454 2.590277 788.8575       50.45813 841.6609       72.27833 738.6589       70.47306 83.24107 3.588956 77.96800 3.735979 5.273071       5.180554 
1 1 1 7   11 16 o 41.77002 5.702840 250.7677       40.91455 265.0035       44.74949 178.2272       101.0153 46.62780 3.966805 36.91224 10.69364 9.715565       11.40568 
1 1 1 7   11 17 o 42.53873 5.520750 231.4762       41.85847 231.3669       45.98088 232.0048       101.1441 43.45830 4.373230 41.61917 10.13852 1.839130       11.04150 
1 1 1 7   11 18 o 72.53053 3.816931 650.0612       51.75396 648.2044       57.29037 658.2986       120.6729 72.85036 3.250481 72.21071 6.907259 0.6396561      7.633862 
1 1 1 7   11 19 o 76.94020 3.761930 727.1695       56.38153 717.1466       63.08979 766.9244       125.6490 76.43407 3.411692 77.44633 6.705881 -1.012253      7.523860 
1 1 1 7   11 20 o 23.46077 5.623655 72.49644       47.03743 117.9415       51.70821 -145.5086      113.2529 29.30405 7.315948 17.61749 8.542768 11.68656       11.24731 
1 1 1 7   13 0  o 369.0543 4.817187 16388.25       428.1189 15485.47       572.9913 17529.14       644.1375 357.6302 6.622340 380.4784 6.997554 -22.84814      9.634374 
1 1 1 7   13 1  o 360.3772 4.713226 15712.49       410.6893 16081.37       593.4883 15373.56       568.8967 364.4290 6.731269 356.3255 6.599092 8.103485       9.426453 
1 1 1 7   13 2  o 381.6202 4.954678 17637.66       457.4425 17550.79       643.9551 17726.15       649.9290 380.6726 6.992003 382.5677 7.021910 -1.895081      9.909356 
1 1 1 7   13 3  o 215.2758 3.204106 5603.579       166.7513 5466.143       230.3961 5754.770       241.6500 212.5080 4.481233 218.0435 4.580801 -5.535431      6.408212 
1 1 1 7   13 4  o 409.6345 5.270460 20335.50       522.2564 20575.59       746.3879 20105.21       731.0161 411.9990 7.488006 407.2701 7.418945 4.728912       10.54092 
1 1 1 7   13 5  o 192.2441 2.986756 4468.508       138.7957 4341.961       191.4708 4608.639       201.4853 189.3812 4.178915 195.1070 4.268432 -5.725800      5.973512 
1 1 1 7   13 6  o 153.6250 2.696176 2856.695       100.1988 2796.908       140.8261 2917.993       142.5956 151.9968 3.829539 155.2531 3.796325 -3.256332      5.392352 
1 1 1 7   13 7  o 184.4073 2.899467 4104.204       129.1232 4351.474       189.7254 3890.848       176.2354 189.5624 4.136860 179.2521 4.063746 10.31032       5.798934 
1 1 1 7   13 8  o 118.4779 3.022590 1616.064       80.22060 1922.665       149.2868 1491.589       95.12096 125.9633 4.898635 110.9926 3.542257 14.97069       6.045180 
1 1 1 7   13 9  o 187.2582 2.927539 4247.680       132.6299 4274.084       187.7551 4221.381       187.3794 187.8396 4.131449 186.6768 4.148864 1.162796       5.855078 
1 1 1 7   13 10 o 107.4262 3.605927 1397.693       93.71943 0.000000       0.000000 1397.693       93.71943 ?        ?        107.4262 3.605927 ?              ?        
1 1 1 7   13 11 o 109.1337 2.592676 1439.447       68.36198 1507.557       99.92939 1379.531       93.72546 111.5531 3.702622 106.7143 3.630217 4.838753       5.185353 
1 1 1 7   13 12 o 65.85778 3.128026 526.0378       49.83641 534.5957       70.93459 517.6962       70.03273 66.38694 4.416448 65.32862 4.430933 1.058319       6.256052 
1 1 1 7   13 13 o 105.8619 2.619346 1359.800       67.05977 1403.983       94.83727 1315.617       94.83641 107.5870 3.643484 104.1368 3.764163 3.450180       5.238693 
1 1 1 7   13 14 f 69.31982 2.919241 582.5499       48.81914 648.0855       70.95606 523.6420       67.27250 73.02061 4.016444 65.61903 4.237458 7.401581       5.838482 
1 1 1 7   13 15 o 29.08026 5.268104 107.9494       37.61631 133.1022       54.44421 84.97538       52.03270 32.19676 7.173030 25.96375 7.717469 6.233009       10.53621 
1 1 1 7   13 16 o 20.31179 5.461963 37.99606       37.14886 26.45178       57.27907 46.37732       48.80530 19.76455 7.906802 20.85904 7.537549 -1.094490      10.92393 
1 1 1 7   13 17 o 69.16821 4.301821 593.5462       64.86703 589.8149       76.63547 602.9744       121.8183 69.23167 4.575333 69.10477 7.286219 0.1268997      8.603642 
1 1 1 7   13 18 o 69.59915 3.958707 594.9103       53.37481 586.9617       59.61843 627.0078       119.8043 69.16156 3.562980 70.03675 7.070405 -0.8751907     7.917415 
1 1 1 7   13 19 o 56.06848 4.665618 319.8104       52.10000 264.0785       57.35182 582.9863       124.6288 45.77261 5.178920 66.36436 7.762136 -20.59175      9.331236 
1 1 1 7   13 20 o 40.20428 7.849952 262.3002       76.96277 267.5788       93.76120 251.3980       134.7480 42.39458 9.388927 38.01399 12.58313 4.380589       15.69990 
1 1 1 7   15 0  o 705.8307 8.816004 60446.93       1500.859 57959.61       2029.388 63449.81       2229.812 689.9800 12.15700 721.6814 12.77087 -31.70135      17.63201 
1 1 1 7   15 1  o 59.91503 3.348809 436.2170       48.37183 467.0565       67.41445 403.4898       69.44701 62.10853 4.486414 57.72153 4.972943 4.387005       6.697617 
1 1 1 7   15 2  o 56.83274 3.443061 390.5870       47.06503 335.4224       65.05003 451.1886       68.18028 52.62454 5.109247 61.04093 4.616739 -8.416389      6.886123 
1 1 1 7   15 3  o 558.2135 7.031568 37744.74       946.7621 36159.37       1280.449 39656.84       1406.219 545.3992 9.703882 571.0277 10.17872 -25.62848      14.06314 
1 1 1 7   15 4  o 211.8444 3.180911 5397.195       162.3692 5025.817       217.9423 5860.447       243.4125 203.7157 4.421959 219.9731 4.573734 -16.25742      6.361821 
1 1 1 7   15 5  o 197.9444 3.069081 4745.404       146.9773 4757.856       208.3731 4733.075       207.3452 198.2026 4.345404 197.6863 4.335261 0.5162811      6.138161 
1 1 1 7   15 6  o 236.0870 3.406727 6753.514       194.5847 6761.004       274.7656 6745.978       275.6050 236.2191 4.807785 235.9549 4.827873 0.2642517      6.813453 
1 1 1 7   15 7  o 62.28009 3.134624 470.0499       47.11935 428.2804       65.98566 513.5099       67.30766 59.45284 4.587484 65.10735 4.272993 -5.654503      6.269249 
1 1 1 7   15 8  o 160.1632 3.952521 3107.276       153.1578 0.000000       0.000000 3107.276       153.1578 ?        ?        160.1632 3.952521 ?              ?        
1 1 1 7   15 9  o 145.4227 2.703263 2560.996       95.07913 2530.332       132.5052 2593.541       136.5085 144.5275 3.789486 146.3179 3.856205 -1.790421      5.406526 
1 1 1 7   15 11 o 205.9616 3.167060 5146.513       157.8065 5211.265       224.3066 5083.056       222.0545 207.2450 4.473587 204.6783 4.484205 2.566666       6.334120 
1 1 1 7   15 12 f 165.6173 2.840185 3326.829       113.7530 3408.885       163.8795 3250.533       158.0225 167.5832 4.041958 163.6515 3.991137 3.931686       5.680369 
1 1 1 7   15 13 o 195.1627 4.357938 4633.674       205.7691 0.000000       0.000000 4633.674       205.7691 ?        ?        195.1627 4.357938 ?              ?        
1 1 1 7   15 14 o 113.4139 2.712447 1562.534       74.34258 1644.849       108.2630 1489.086       102.2657 116.2315 3.849942 110.5964 3.821966 5.635094       5.424894 
1 1 1 7   15 15 o 96.89149 2.741587 1141.005       64.04041 1285.099       93.65496 1014.465       87.76530 102.6359 3.771630 91.14706 3.979952 11.48886       5.483175 
1 1 1 7   15 16 o 14.74892 4.788855 -38.77763      39.43451 -64.71337      59.66338 -18.65819      52.54923 14.06739 6.649775 15.43044 6.892969 -1.363050      9.577710 
1 1 1 7   15 17 o 49.09563 4.168045 293.8026       48.16995 407.5766       74.57365 212.3449       63.10006 57.16749 5.391802 41.02376 6.357582 16.14373       8.336089 
1 1 1 7   15 18 o 33.37027 5.487521 159.4127       47.73628 65.60496       72.16457 232.3955       63.65243 24.06295 9.080081 42.67759 6.164713 -18.61464      10.97504 
1 1 1 7   15 19 o 19.61024 6.134525 9.890072       51.70837 31.24412       57.07986 -87.81677      122.0971 19.30440 7.832712 19.91609 9.443422 -0.6116886     12.26905 
1 1 1 7   15 20 o 28.49821 8.287788 107.6152       84.79179 55.39560       100.5761 235.9310       157.6589 23.22251 9.969313 33.77391 13.24245 -10.55140      16.57558 
1 1 1 7   17 0  o 245.3957 3.516353 7294.028       208.7145 7393.481       299.2321 7199.801       291.2629 247.0215 5.006926 243.7699 4.938589 3.251572       7.032707 
1 1 1 7   17 1  o 259.5381 5.188700 8162.979       325.8081 8162.979       325.8081 0.000000       0.000000 259.5381 5.188700 ?        ?        ?              ?        
1 1 1 7   17 2  o 197.2872 3.090171 4713.675       147.4813 4656.344       206.7227 4773.102       210.4680 196.0664 4.357953 198.5079 4.382337 -2.441483      6.180343 
1 1 1 7   17 3  o 166.6984 2.855907 3364.636       115.1648 3417.287       164.5161 3314.044       161.2676 167.9764 4.048161 165.4204 4.029542 2.556015       5.711814 
1 1 1 7   17 4  o 275.5821 3.826670 9206.913       255.1283 9139.300       358.9472 9275.946       362.6938 274.5605 5.403687 276.6037 5.419758 -2.043121      7.653339 
1 1 1 7   17 5  o 146.0156 2.778232 2581.498       98.12778 2518.184       137.4459 2647.319       140.1406 144.1897 3.939992 147.8416 3.918004 -3.651917      5.556464 
1 1 1 7   17 6  o 318.3432 4.281623 12298.32       329.7659 12277.76       465.9291 12318.96       466.7908 318.0767 6.054603 318.6097 6.055655 -0.5329590     8.563246 
1 1 1 7   17 7  o 227.7725 3.363634 6288.562       185.3435 6375.122       264.1170 6204.576       260.1584 229.3162 4.760574 226.2288 4.753218 3.087341       6.727269 
1 1 1 7   17 8  o 265.3311 3.725312 8538.167       239.0688 8690.448       343.2603 8394.720       333.1548 267.6226 5.301496 263.0397 5.235070 4.582916       7.450625 
1 1 1 7   17 9  o 254.3937 3.625065 7833.686       222.7263 8227.089       326.9741 7493.130       304.2204 260.3244 5.191539 248.4630 5.060860 11.86139       7.250130 
1 1 1 7   17 10 o 91.41760 2.883230 1010.850       63.67104 1075.577       93.16070 954.1136       87.22136 94.15462 4.089675 88.68058 4.065294 5.474045       5.766460 
1 1 1 7   17 11 o 199.1018 3.126393 4803.632       150.3522 5055.166       220.4846 4585.000       205.5593 203.9503 4.468395 194.2533 4.373876 9.697021       6.252787 
1 1 1 7   17 12 o 120.9915 2.757740 1774.625       80.59764 1872.753       118.1049 1689.096       110.2633 124.1077 3.933389 117.8753 3.866391 6.232361       5.515481 
1 1 1 7   17 13 o 44.93148 4.589779 249.6785       49.74243 235.0934       71.68371 263.2238       69.08128 43.62150 6.792311 46.24146 6.174852 -2.619957      9.179558 
1 1 1 7   17 14 o 67.16451 3.519455 564.3132       56.00576 450.3745       81.18448 667.7750       77.36193 60.45159 5.550895 73.87744 4.328259 -13.42585      7.038910 
1 1 1 7   17 15 f 109.0692 2.809490 1451.971       73.99947 1573.526       108.1643 1345.019       101.4593 113.3554 3.944025 104.7830 4.002200 8.572403       5.618980 
1 1 1 7   17 16 o 78.65871 3.214347 747.8198       60.43716 926.6807       93.24020 618.2214       79.36797 86.62614 4.448893 70.69128 4.640632 15.93487       6.428694 
1 1 1 7   17 17 o 100.6006 3.022253 1253.346       73.43882 1294.120       107.5696 1217.750       100.5062 102.0820 4.355500 99.11928 4.191141 2.962746       6.044505 
1 1 1 7   17 18 o 42.87926 5.397558 237.1727       53.47789 339.7207       86.75182 174.3190       67.91736 50.57766 7.089533 35.18087 8.140827 15.39679       10.79512 
1 1 1 7   17 19 o 29.93100 6.641780 143.0017       55.58751 102.8209       84.56161 173.5771       73.76499 26.23093 9.843278 33.63107 8.919800 -7.400133      13.28356 
1 1 1 7   19 0  o 104.9688 3.920966 1334.616       99.57624 1334.616       99.57624 0.000000       0.000000 104.9688 3.920966 ?        ?        ?              ?        
1 1 1 7   19 1  o 126.5323 2.799911 1936.029       85.63782 1838.826       118.4323 2042.550       123.9783 123.2087 3.973071 129.8558 3.946226 -6.647102      5.599821 
1 1 1 7   19 2  o 322.2943 4.345015 12591.44       338.4886 12267.85       466.7077 12950.55       491.6565 317.9443 6.067246 326.6444 6.221345 -8.700073      8.690030 
1 1 1 7   19 3  o 119.1810 3.991649 1720.764       115.0964 0.000000       0.000000 1720.764       115.0964 ?        ?        119.1810 3.991649 ?              ?        
1 1 1 7   19 4  o 146.2033 2.821691 2588.864       99.79185 2538.946       139.6059 2641.019       142.6989 144.7629 3.986064 147.6436 3.994879 -2.880753      5.643382 
1 1 1 7   19 5  o 128.0082 2.816733 1984.799       87.20564 1960.875       121.5107 2010.208       125.2281 127.2149 3.947975 128.8015 4.018635 -1.586563      5.633465 
1 1 1 7   19 6  o 115.1276 4.190704 1606.643       116.7263 0.000000       0.000000 1606.643       116.7263 ?        ?        115.1276 4.190704 ?              ?        
1 1 1 7   19 7  o 185.4997 3.068664 4173.305       137.6991 4268.597       195.2695 4079.048       194.2067 187.6102 4.302052 183.3893 4.377115 4.220932       6.137327 
1 1 1 7   19 8  o 117.1829 2.783331 1665.620       78.90504 1689.299       111.7299 1642.061       111.4478 118.0156 3.913162 116.3502 3.959152 1.665390       5.566661 
1 1 1 7   19 9  o 79.32938 3.137169 764.9612       60.17210 779.4301       84.12172 749.8020       86.10534 80.10520 4.340553 78.55354 4.530665 1.551659       6.274339 
1 1 1 7   19 10 o 29.51633 5.051438 71.23090       48.13405 229.7113       73.63369 -47.02261      63.60567 43.26896 7.033926 15.76369 7.252035 27.50527       10.10288 
1 1 1 7   19 11 o 128.8072 2.828779 2013.913       87.90686 2093.152       130.1932 1947.518       119.1745 131.1080 4.104468 126.5064 3.893752 4.601532       5.657558 
1 1 1 7   19 12 o 28.48828 6.375553 99.78219       49.80550 125.2075       72.29180 76.81030       68.71542 31.15422 9.052452 25.82234 8.980190 5.331881       12.75111 
1 1 1 7   19 13 o 37.65157 5.877041 189.6050       53.67911 122.8046       79.28302 246.1450       72.94043 30.86234 9.598759 44.44080 6.783974 -13.57846      11.75408 
1 1 1 7   19 14 o 121.2547 2.901283 1796.667       84.93687 1953.925       124.4688 1659.620       116.1953 126.2118 4.076227 116.2977 4.129665 9.914040       5.802565 
1 1 1 7   19 15 o 26.57311 6.640193 86.37239       53.41810 97.42687       75.89455 75.51947       75.19946 27.63652 9.445908 25.50971 9.335067 2.126812       13.28039 
1 1 1 7   19 16 o 40.71807 6.074754 226.6943       59.20610 174.8346       83.02895 280.3435       84.44926 35.14993 9.525779 46.28621 7.541225 -11.13628      12.14951 
1 1 1 7   19 17 o 49.81413 5.245704 330.8343       60.93626 411.8859       91.31322 265.7594       81.81998 55.90467 6.751235 43.72359 8.030596 12.18108       10.49141 
1 1 1 7   19 18 o 23.66680 6.380889 59.09779       59.16753 -40.12724      89.71738 135.4688       78.71004 17.99753 8.394130 29.33607 9.612573 -11.33854      12.76178 
1 1 1 7   21 0  o 198.4424 3.179930 4774.462       152.6642 4747.557       214.7533 4801.950       217.0649 197.8784 4.485793 199.0064 4.508379 -1.128036      6.359859 
1 1 1 7   21 1  o 198.9422 3.183027 4795.795       153.1510 4937.792       220.0262 4662.338       213.3067 201.7964 4.506700 196.0881 4.496255 5.708298       6.366055 
1 1 1 7   21 2  o 209.9010 3.264396 5327.654       165.4970 5622.595       242.7936 5071.686       226.1844 215.3057 4.661003 204.4962 4.571671 10.80952       6.528792 
1 1 1 7   21 3  o 399.2822 5.215559 19391.06       503.1954 20042.62       734.2297 18813.99       690.9888 405.5549 7.483074 393.0095 7.267176 12.54541       10.43112 
1 1 1 7   21 4  o 113.5809 2.928286 1564.942       80.44267 1589.778       112.9732 1539.399       114.5698 114.4996 4.078208 112.6622 4.203290 1.837334       5.856572 
1 1 1 7   21 5  o 235.2047 3.472977 6699.723       197.2858 7059.271       289.6351 6388.511       269.4642 241.0634 4.966124 229.3459 4.856324 11.71750       6.945954 
1 1 1 7   21 6  o 154.0347 2.909801 2877.268       108.3885 2981.457       156.0579 2780.170       150.6539 156.7262 4.115685 151.3433 4.114477 5.382813       5.819603 
1 1 1 7   21 7  o 89.19264 4.275745 1047.052       82.99002 1184.991       102.0012 776.9185       142.7417 98.76109 4.268912 79.62421 7.409749 19.13688       8.551491 
1 1 1 7   21 8  o 130.5995 2.888094 2070.826       91.07706 2116.575       133.6206 2031.128       124.4705 131.9284 4.186324 129.2706 3.979829 2.657806       5.776187 
1 1 1 7   21 9  o 96.82935 3.018268 1142.094       70.69387 1147.771       101.0892 1136.660       98.89922 97.05898 4.304937 96.59971 4.231699 0.4592743      6.036535 
1 1 1 7   21 10 o 21.15803 5.578083 -10.29376      50.13885 -136.7714      72.78559 103.9201       69.16683 13.55867 6.634531 28.75739 8.969003 -15.19872      11.15617 
1 1 1 7   21 11 o 43.12319 5.292101 235.8800       54.07305 228.3501       76.42052 243.4297       76.52126 42.07129 7.795015 44.17509 7.159825 -2.103798      10.58420 
1 1 1 7   21 12 o 64.23136 3.996830 510.7615       61.49381 609.6937       89.10311 420.7850       84.97449 70.27369 5.240802 58.18904 6.035943 12.08465       7.993660 
1 1 1 7   21 13 o 21.38310 6.275813 18.16586       53.58484 48.03148       80.93090 -5.146569      71.50269 23.78112 9.435682 18.98507 8.277149 4.796055       12.55163 
1 1 1 7   21 14 f 83.64943 3.394075 867.4854       68.59244 923.0922       100.1408 818.3376       94.14529 86.16589 4.803671 81.13296 4.796219 5.032936       6.788149 
1 1 1 7   21 15 o 81.55961 3.506485 835.6055       69.09687 890.6790       98.31073 781.8411       97.13533 84.29877 4.820336 78.82044 5.093731 5.478333       7.012969 
1 1 1 7   21 16 o 17.55820 5.788162 -54.91456      60.60966 -84.73132      84.57512 -23.43437      86.90225 16.16654 7.720048 18.94987 8.626245 -2.783323      11.57632 
1 1 1 7   21 17 o 27.23512 6.793183 115.1096       62.47800 168.6289       79.71103 29.85126       100.6078 32.50283 9.523273 21.96742 9.690025 10.53541       13.58637 
1 1 1 7   23 0  o 92.47648 3.216448 1034.404       71.56296 890.4914       98.00768 1198.760       104.7378 85.60036 4.732408 99.35260 4.357347 -13.75224      6.432897 
1 1 1 7   23 1  o 73.33645 3.597648 654.1392       63.83133 651.6277       89.95970 656.6859       90.58580 73.19530 5.079987 73.47760 5.095688 -0.2823029     7.195297 
1 1 1 7   23 2  o 145.0451 2.909025 2547.807       101.9472 2708.225       148.6763 2405.444       140.0594 149.3428 4.114861 140.7474 4.113103 8.595413       5.818049 
1 1 1 7   23 3  o 70.94476 3.659667 612.5914       62.79847 593.0334       88.08966 632.8029       89.54923 69.78999 5.217104 72.09952 5.133661 -2.309525      7.319334 
1 1 1 7   23 4  o 112.3911 2.927166 1525.661       79.32516 1705.751       117.2138 1373.483       107.7484 118.4790 4.089172 106.3033 4.189497 12.17571       5.854333 
1 1 1 7   23 5  o 128.5707 2.870830 2009.913       89.29422 2018.097       127.1155 2001.940       125.4629 128.8261 4.078426 128.3154 4.041422 0.5107117      5.741660 
1 1 1 7   23 6  o 52.70199 4.351853 339.5829       55.39418 362.5921       81.19379 319.5473       75.76595 54.36423 6.173155 51.03975 6.135688 3.324490       8.703707 
1 1 1 7   23 7  o 109.1562 3.021945 1430.166       79.17023 1661.241       121.3324 1258.836       104.4761 116.7086 4.297063 101.6037 4.250159 15.10490       6.043890 
1 1 1 7   23 8  o 65.37379 3.923076 523.2026       61.91752 563.7904       91.11938 488.3837       84.39582 67.71680 5.561758 63.03077 5.534343 4.686035       7.846152 
1 1 1 7   23 9  o 21.97956 6.269575 11.09108       56.13240 76.90829       78.91967 -56.29549      79.85501 26.41193 9.578669 17.54719 8.091934 8.864748       12.53915 
1 1 1 7   23 10 o 75.97428 3.646481 709.4609       66.85305 747.0812       98.95463 677.8719       90.67590 77.79131 5.257783 74.15725 5.054008 3.634064       7.292961 
1 1 1 7   23 11 o 19.54321 6.032775 -18.46568      56.86673 -83.41196      86.78185 30.40841       75.28200 17.15879 8.083114 21.92764 8.957721 -4.768852      12.06555 
1 1 1 7   23 12 o 45.28938 5.675139 267.0987       60.33971 325.2857       89.53481 218.6821       81.67258 50.35768 7.348926 40.22107 8.649977 10.13662       11.35028 
1 1 1 7   23 13 o 38.39996 6.874412 208.4853       63.90469 218.6372       92.18164 199.0920       88.67035 39.29829 9.743687 37.50161 9.700036 1.796680       13.74882 
1 1 1 7   23 14 o 60.24253 4.538849 467.9206       65.91514 518.2292       98.16579 426.6142       88.95023 63.16718 6.423421 57.31788 6.414379 5.849304       9.077698 
1 1 1 7   23 15 o 32.05557 7.022623 161.3638       65.81429 225.1792       88.13411 80.91858       98.95351 38.53761 9.510698 25.57353 10.33516 12.96408       14.04525 
1 1 1 7   23 16 o 48.58844 6.545515 394.9999       71.70284 488.3360       93.02861 258.4030       112.5414 59.56590 6.455301 37.61098 11.38877 21.95493       13.09103 
1 1 1 7   25 0  o 128.3300 2.930729 2006.057       90.98836 2033.171       129.0093 1979.220       128.3472 129.1965 4.127316 127.4635 4.161965 1.733047       5.861458 
1 1 1 7   25 1  o 85.52877 3.350302 891.3221       69.25193 945.2711       100.5318 842.6045       95.53333 87.98909 4.722503 83.06845 4.753532 4.920639       6.700605 
1 1 1 7   25 2  o 70.58159 3.754648 608.4907       63.96284 670.6715       92.86066 552.3553       88.23105 74.02365 5.185122 67.13952 5.431764 6.884132       7.509297 
1 1 1 7   25 3  o 175.0688 3.057132 3739.075       129.4482 3784.101       185.7587 3696.568       180.4898 176.0799 4.360506 174.0576 4.286050 2.022293       6.114264 
1 1 1 7   25 4  o 82.71681 3.316615 838.5076       66.24285 803.7325       95.36780 870.9275       92.08168 81.02167 4.865173 84.41196 4.508862 -3.390289      6.633230 
1 1 1 7   25 5  o 232.6990 3.490820 6577.762       195.3486 7215.178       296.8008 6090.587       259.4754 242.4707 5.059452 222.9272 4.810950 19.54346       6.981640 
1 1 1 7   25 6  o 67.00189 3.919125 560.7918       62.56178 499.2800       93.61830 610.4279       84.09702 63.50557 6.093217 70.49822 4.930604 -6.992653      7.838249 
1 1 1 7   25 7  o 35.31181 6.923599 149.4789       62.97752 252.8848       101.8147 85.39750       80.15006 43.45761 9.904238 27.16602 9.677344 16.29159       13.84720 
1 1 1 7   25 8  f 74.09550 4.304982 683.6938       76.14597 837.5476       110.7816 545.9077       104.8374 82.16928 5.572575 66.02172 6.563374 16.14756       8.609963 
1 1 1 7   25 9  o 128.5349 3.126682 2029.961       97.00994 2232.046       141.1967 1849.277       133.5112 134.6216 4.335184 122.4482 4.506744 12.17341       6.253365 
1 1 1 7   25 10 o 42.08281 6.508401 240.9882       64.54764 286.4720       94.36904 201.0011       88.48325 46.06836 8.787579 38.09726 9.602897 7.971104       13.01680 
1 1 1 7   25 11 o 59.12423 4.687893 451.1782       66.29519 524.5743       93.70866 377.6349       93.80253 64.26216 6.027289 53.98629 7.181725 10.27587       9.375787 
1 1 1 7   25 12 o 21.44867 6.501876 4.546439       64.22663 -65.83317      95.08739 63.59598       87.09792 18.30569 8.571746 24.59164 9.778688 -6.285952      13.00375 
1 1 1 7   25 13 o 49.66924 5.418181 337.0092       65.03666 344.8286       90.76241 328.7573       93.23905 50.42370 7.439932 48.91478 7.878716 1.508926       10.83636 
1 1 1 7   25 14 o 18.43195 6.071231 -46.58087      67.56683 5.148034       94.12945 -101.5640      97.04510 20.33163 9.143087 16.53226 7.990203 3.799368       12.14246 
1 1 1 7   27 0  f 55.32463 4.752772 378.3584       63.18805 411.3620       96.36004 353.4603       83.69518 57.36577 6.942915 53.28349 6.492402 4.082275       9.505544 
1 1 1 7   27 1  o 30.52461 7.102416 116.8345       60.68869 134.2464       89.88121 102.2446       82.27576 32.18330 10.24925 28.86592 9.835151 3.317377       14.20483 
1 1 1 7   27 2  o 97.03737 3.372951 1154.474       79.06031 1224.059       115.8267 1093.772       108.1808 99.75713 4.799129 94.31762 4.740839 5.439507       6.745902 
1 1 1 7   27 3  o 66.81707 4.168310 559.5389       66.62937 510.6331       99.03627 599.9800       90.05856 63.97000 6.399051 69.66414 5.343348 -5.694141      8.336619 
1 1 1 7   27 4  o 64.33299 4.306308 507.4090       65.84150 659.5142       99.66488 389.6181       87.70532 72.88010 5.652374 55.78588 6.498293 17.09422       8.612616 
1 1 1 7   27 5  o 104.8158 3.179148 1332.613       79.99310 1542.934       122.4929 1176.224       105.6264 111.9041 4.524417 97.72742 4.467390 14.17667       6.358295 
1 1 1 7   27 6  o 88.25189 3.414787 959.1891       72.69523 1064.561       107.0381 868.9758       99.04025 92.75157 4.769960 83.75222 4.887796 8.999352       6.829573 
1 1 1 7   27 8  o 38.16852 8.772610 219.6976       92.79533 176.2046       159.9551 241.7609       113.9262 35.60529 13.49841 40.73174 11.20838 -5.126453      17.54522 
1 1 1 7   27 9  o 46.46280 6.516188 301.7372       71.34953 268.9449       105.4017 329.4734       96.93604 43.12651 10.25233 49.79908 8.045660 -6.672562      13.03238 
1 1 1 7   27 10 o 61.76409 4.632295 497.4333       68.79115 568.5484       98.91514 430.8193       95.73359 66.29442 6.167135 57.23376 6.913688 9.060661       9.264590 
1 1 1 7   27 11 o 49.06615 6.103729 350.8975       68.66199 445.0999       95.75414 251.1949       98.50993 57.66822 6.863075 40.46408 10.09556 17.20414       12.20746 
1 1 1 7   27 12 o 23.25352 7.619187 0.6307552      99.79746 -30.80309      167.8379 17.82273       124.1236 23.59739 11.15422 22.90964 10.38226 0.6877556      15.23837 
1 1 1 7   29 0  o 90.83267 3.570033 1027.584       78.38919 1077.972       111.1333 977.6911       110.5869 93.10776 4.933510 88.55758 5.161495 4.550179       7.140066 
1 1 1 7   29 1  f 46.77212 6.041873 291.0176       66.86424 312.5974       94.98526 269.8197       94.14102 49.03244 8.007011 44.51180 9.050122 4.520641       12.08375 
1 1 1 7   29 2  o 54.17842 5.586453 382.7917       67.23675 575.1662       101.2801 231.1969       89.90686 67.40287 6.210744 40.95397 9.287652 26.44890       11.17291 
1 1 1 7   29 3  o 41.23149 7.467941 243.7155       73.77922 248.7907       94.27074 235.6930       118.5236 42.33795 9.443551 40.12504 11.57151 2.212914       14.93588 
1 1 1 7   29 4  o 86.22747 5.095996 956.4403       105.5569 1016.895       160.7865 910.6484       139.9361 88.35185 7.521969 84.10309 6.877258 4.248764       10.19199 
1 1 1 7   29 5  o 50.21152 7.313943 379.5024       84.99000 270.3153       134.8824 451.3980       109.4512 41.86898 12.42104 58.55405 7.726119 -16.68507      14.62789 
1 1 1 7   29 6  o 32.58719 7.657432 132.0291       93.29800 -120.5235      153.0869 281.2612       117.6774 21.99196 10.46985 43.18242 11.17709 -21.19045      15.31486 
1 1 1 8   0  2  o 95.46417 1.997167 1105.466       65.10449 1105.466       65.10449 1105.466       65.10449 95.46417 2.824420 95.46417 2.824420 0.000000       0.000000 
1 1 1 8   0  3  o 240.9554 3.336049 7033.705       274.7961 7033.705       274.7961 7033.705       274.7961 240.9554 4.717886 240.9554 4.717886 0.000000       0.000000 
1 1 1 8   0  4  o 82.00863 1.933174 816.3466       54.10691 816.3466       54.10691 816.3466       54.10691 82.00863 2.733921 82.00863 2.733921 0.000000       0.000000 
1 1 1 8   0  5  o 677.4713 8.397357 55642.78       1945.135 55642.78       1945.135 55642.78       1945.135 677.4713 11.87566 677.4713 11.87566 0.000000       0.000000 
1 1 1 8   0  6  o 288.8349 3.860386 10104.75       381.1953 10104.75       381.1953 10104.75       381.1953 288.8349 5.459411 288.8349 5.459411 0.000000       0.000000 
1 1 1 8   0  7  f 586.0228 7.306970 41612.04       1464.079 41612.04       1464.079 41612.04       1464.079 586.0228 10.33362 586.0228 10.33362 0.000000       0.000000 
1 1 1 8   0  8  o 81.57343 2.049523 808.0517       57.03921 808.0517       57.03921 808.0517       57.03921 81.57343 2.898463 81.57343 2.898463 0.000000       0.000000 
1 1 1 8   0  9  o 84.77198 2.133435 872.7128       61.70205 872.7128       61.70205 872.7128       61.70205 84.77198 3.017133 84.77198 3.017133 0.000000       0.000000 
1 1 1 8   0  10 o 209.6571 4.310242 5334.920       308.6009 5334.920       308.6009 5334.920       308.6009 209.6571 6.095603 209.6571 6.095603 0.000000       0.000000 
1 1 1 8   0  11 o 442.8714 5.642912 23792.51       854.4371 23792.51       854.4371 23792.51       854.4371 442.8714 7.980283 442.8714 7.980283 0.000000       0.000000 
1 1 1 8   0  12 o 270.9052 3.684554 8896.327       341.2377 8896.327       341.2377 8896.327       341.2377 270.9052 5.210747 270.9052 5.210747 0.000000       0.000000 
1 1 1 8   0  13 o 388.4753 5.011151 18312.89       665.5676 18312.89       665.5676 18312.89       665.5676 388.4753 7.086838 388.4753 7.086838 0.000000       0.000000 
1 1 1 8   0  14 f 297.2258 3.987763 10715.74       405.2101 10715.74       405.2101 10715.74       405.2101 297.2258 5.639548 297.2258 5.639548 0.000000       0.000000 
1 1 1 8   0  15 o 8.396396 4.015634 -16.78116      33.95200 -16.78116      33.95200 -16.78116      33.95200 8.396396 5.678963 8.396396 5.678963 0.000000       0.000000 
1 1 1 8   0  16 o 13.67625 5.282799 31.86383       35.21164 31.86383       35.21164 31.86383       35.21164 13.67625 7.471006 13.67625 7.471006 0.000000       0.000000 
1 1 1 8   0  17 o 162.3178 2.666002 3200.446       147.8817 3200.446       147.8817 3200.446       147.8817 162.3178 3.770296 162.3178 3.770296 0.000000       0.000000 
1 1 1 8   0  18 o 94.88392 2.417134 1096.776       78.24021 1096.776       78.24021 1096.776       78.24021 94.88392 3.418343 94.88392 3.418343 0.000000       0.000000 
1 1 1 8   0  19 o 19.79738 6.343139 70.47079       46.34277 70.47079       46.34277 70.47079       46.34277 19.79738 8.970552 19.79738 8.970552 0.000000       0.000000 
1 1 1 8   0  20 o 39.56549 4.227414 205.1205       53.36386 205.1205       53.36386 205.1205       53.36386 39.56549 5.978466 39.56549 5.978466 0.000000       0.000000 
1 1 1 8   2  0  o 329.9836 4.318168 13184.91       344.6806 13010.09       481.9355 13367.96       493.1623 327.7469 6.077822 332.2202 6.135663 -4.473297      8.636335 
1 1 1 8   2  1  o 465.8053 8.340315 26364.41       939.8962 26258.18       1323.998 26472.34       1334.492 464.8634 11.77226 466.7472 11.81767 -1.883789      16.68063 
1 1 1 8   2  2  o 299.2586 3.972060 10843.01       287.5687 10931.22       409.2733 10757.00       404.1424 300.4599 5.630209 298.0572 5.604443 2.402710       7.944119 
1 1 1 8   2  3  o 202.4207 3.601923 4919.783       164.8675 4848.436       199.5602 5073.171       292.6067 200.1531 4.121064 204.6883 5.908659 -4.535278      7.203847 
1 1 1 8   2  4  o 157.1657 2.894790 2919.871       93.42445 2860.486       106.3401 3120.762       195.5871 153.7599 2.858588 160.5715 5.034651 -6.811584      5.789580 
1 1 1 8   2  5  o 304.2873 4.650144 11232.55       297.1434 11256.66       343.7042 11161.21       591.2397 304.9914 4.657950 303.5832 8.049772 1.408264       9.300287 
1 1 1 8   2  6  o 549.3219 7.988545 36077.80       901.2844 35652.56       1028.099 37489.59       1873.280 542.6649 7.830706 555.9789 13.92650 -13.31409      15.97709 
1 1 1 8   2  7  o 336.7487 5.118474 13493.22       353.1967 13292.50       402.1665 14170.14       738.5506 331.4298 5.015473 342.0675 8.924133 -10.63770      10.23695 
1 1 1 8   2  8  o 393.9403 5.803841 18980.04       485.9583 19187.50       566.9761 18405.71       943.3498 398.1475 5.885977 389.7332 10.00468 8.414276       11.60768 
1 1 1 8   2  9  o 360.0242 5.415612 15574.43       403.4290 15455.53       462.2070 15954.79       826.6630 357.3064 5.346793 362.7420 9.419512 -5.435577      10.83122 
1 1 1 8   2  10 o 162.8113 3.013551 3238.924       102.8791 3269.473       119.1319 3149.316       204.0345 164.3681 2.995769 161.2546 5.229848 3.113464       6.027101 
1 1 1 8   2  11 o 299.8534 4.628594 10917.23       290.8112 10930.74       335.9648 10876.86       580.7678 300.4119 4.622473 299.2949 8.020491 1.116974       9.257188 
1 1 1 8   2  12 o 129.2318 2.783000 1972.759       72.88326 1932.984       82.49584 2114.218       155.5763 126.3755 2.698156 132.0882 4.868298 -5.712692      5.566001 
1 1 1 8   2  13 o 246.9378 3.998666 7380.350       205.4632 7364.646       236.3615 7428.911       415.6410 246.5738 3.962118 247.3017 6.946865 -0.7279663     7.997332 
1 1 1 8   2  14 o 92.58496 2.896523 1069.793       53.13226 1094.131       60.25883 984.7710       112.6287 95.06978 2.619847 90.10015 5.166795 4.969627       5.793045 
1 1 1 8   2  15 o 90.61839 2.317381 992.8982       50.68593 1093.858       73.35879 900.6754       70.11279 95.02090 3.191029 86.21587 3.361304 8.805031       4.634763 
1 1 1 8   2  16 o 107.2889 2.334033 1396.040       60.55967 1448.322       85.94202 1344.477       85.34966 109.2883 3.250346 105.2895 3.350537 3.998787       4.668067 
1 1 1 8   2  17 o 31.88214 4.095509 127.0291       30.56581 158.9358       44.22627 97.85258       42.29177 36.07632 5.067056 27.68796 6.435659 8.388365       8.191017 
1 1 1 8   2  18 f 18.43250 4.703790 27.06292       29.24623 62.27276       42.41324 -4.855654      40.38231 22.44215 7.027306 14.42286 6.254561 8.019295       9.407580 
1 1 1 8   2  19 o 52.46339 3.188251 338.4777       40.42703 331.8701       58.13660 344.6644       56.25474 51.94571 4.625914 52.98108 4.388701 -1.035366      6.376502 
1 1 1 8   2  20 o 25.38478 5.334209 85.61337       35.89076 62.67305       54.74958 102.9007       47.52755 22.88914 8.012686 27.88042 7.043580 -4.991285      10.66842 
1 1 1 8   4  0  o 410.7302 5.249084 20414.76       521.0475 19885.75       717.1794 21006.15       758.2825 405.1122 7.317288 416.3482 7.527869 -11.23593      10.49817 
1 1 1 8   4  1  o 366.7684 4.740406 16288.22       420.5210 16550.54       603.4562 16040.57       586.3266 369.6348 6.747930 363.9020 6.659672 5.732788       9.480811 
1 1 1 8   4  2  o 58.16950 2.849421 409.4124       40.10091 0.000000       0.000000 409.4124       40.10091 ?        ?        58.16950 2.849421 ?              ?        
1 1 1 8   4  3  o 680.5026 8.446018 56210.08       1390.476 56495.63       1977.941 55931.07       1955.116 682.2034 11.98387 678.8018 11.90494 3.401672       16.89204 
1 1 1 8   4  4  o 543.5217 6.800479 35794.46       894.1395 36141.94       1276.641 35459.88       1252.707 546.1059 9.662505 540.9376 9.571941 5.168335       13.60096 
1 1 1 8   4  5  o 353.6544 4.589387 15139.12       392.6775 15145.72       555.4103 15132.52       555.2494 353.7315 6.489898 353.5772 6.490849 0.1542358      9.178774 
1 1 1 8   4  6  f 344.3447 4.484697 14343.42       373.4734 14616.09       537.3535 14088.63       519.4438 347.5073 6.391368 341.1821 6.292889 6.325256       8.969395 
1 1 1 8   4  7  f 601.5653 7.488500 43835.92       1089.619 43291.54       1520.980 44409.86       1561.737 597.7365 10.51747 605.3940 10.66271 -7.657532      14.97700 
1 1 1 8   4  8  o 314.7806 4.800180 12039.74       317.7183 12084.09       367.8905 11909.58       630.2185 315.9927 4.812150 313.5685 8.307234 2.424194       9.600361 
1 1 1 8   4  9  o 188.1387 3.312200 4239.475       128.2336 4199.329       146.4760 4371.208       265.3320 186.2861 3.250002 189.9913 5.772362 -3.705170      6.624401 
1 1 1 8   4  10 o 105.9273 2.634954 1341.678       56.40609 1328.376       63.92447 1388.459       119.8790 104.7750 2.521779 107.0795 4.627370 -2.304497      5.269907 
1 1 1 8   4  11 o 152.4545 2.981356 2757.810       92.23668 2711.722       104.5455 2919.691       195.9334 149.6833 2.886885 155.2256 5.217263 -5.542297      5.962712 
1 1 1 8   4  12 o 209.9813 3.576236 5371.103       156.5174 5397.578       180.5118 5290.898       314.1808 211.1335 3.533833 208.8291 6.218511 2.304474       7.152472 
1 1 1 8   4  13 o 287.5515 4.542658 9795.704       264.5223 9601.245       299.3862 10487.80       564.8096 281.4838 4.396185 293.6192 7.950882 -12.13541      9.085316 
1 1 1 8   4  14 o 120.7650 2.880944 1706.017       69.13629 1662.028       77.55550 1876.264       152.5739 117.1664 2.735944 124.3636 5.070894 -7.197243      5.761888 
1 1 1 8   4  15 o 174.8705 3.285739 3694.833       117.0783 3680.151       133.3574 3744.200       244.5290 174.2794 3.162780 175.4617 5.760308 -1.182358      6.571478 
1 1 1 8   4  16 o 185.4223 3.361859 4224.290       129.8301 4266.119       149.9071 4098.751       259.7007 187.5422 3.303855 183.3025 5.856017 4.239655       6.723719 
1 1 1 8   4  17 o 140.7426 3.030656 2441.434       87.27802 2466.330       99.97810 2361.689       178.9322 142.5472 2.898971 138.9380 5.323106 3.609146       6.061311 
1 1 1 8   4  18 o 121.7316 2.481277 1805.330       73.05775 1792.917       102.0060 1818.404       104.6846 121.3104 3.475563 122.1528 3.542231 -0.8424072     4.962554 
1 1 1 8   4  19 o 83.20998 2.618856 846.0543       52.68038 894.0428       75.84017 801.3109       73.23093 85.49666 3.666468 80.92329 3.740406 4.573364       5.237711 
1 1 1 8   4  20 o 47.98450 3.582727 282.9028       41.08420 352.7379       61.83834 227.7195       54.96991 53.28517 4.796773 42.68383 5.323035 10.60133       7.165454 
1 1 1 8   6  0  o 397.5664 5.100857 19145.27       490.6156 19055.00       690.5342 19237.29       697.1841 396.6214 7.196259 398.5114 7.231101 -1.890045      10.20171 
1 1 1 8   6  1  o 423.1490 5.394482 21687.20       552.1931 21907.94       788.5062 21474.76       773.5468 425.2589 7.663892 421.0391 7.593846 4.219788       10.78896 
1 1 1 8   6  2  o 285.9204 3.840916 9889.102       265.5700 9694.290       368.7821 10098.95       382.7529 282.9989 5.386203 288.8419 5.477166 -5.843048      7.681831 
1 1 1 8   6  3  o 596.5062 7.433321 43129.02       1072.748 43233.95       1520.334 43024.99       1513.874 597.2276 10.52197 595.7849 10.50263 1.442688       14.86664 
1 1 1 8   6  4  o 492.7883 6.216146 29386.90       740.6052 28833.96       1025.022 29990.84       1071.255 487.9490 8.682729 497.6277 8.897872 -9.678619      12.43229 
1 1 1 8   6  5  o 254.4986 3.516451 7829.336       216.3754 8061.576       313.0091 7616.791       299.4435 258.1086 5.012475 250.8885 4.933235 7.220093       7.032902 
1 1 1 8   6  6  o 579.0183 7.225538 40576.05       1011.395 41574.26       1465.849 39669.05       1397.271 585.7980 10.34282 572.2387 10.09255 13.55927       14.45108 
1 1 1 8   6  7  o 665.5521 8.260505 53678.86       1329.484 52756.73       1846.209 54672.12       1916.087 659.6336 11.56847 671.4707 11.79467 -11.83710      16.52101 
1 1 1 8   6  8  o 524.5198 6.588222 33322.00       835.3928 32593.12       1154.254 34123.80       1210.608 518.5162 9.201034 530.5234 9.431843 -12.00720      13.17644 
1 1 1 8   6  9  o 225.4681 3.209711 6153.547       175.0644 6086.227       245.2020 6223.542       250.0254 224.2113 4.520268 226.7249 4.558087 -2.513565      6.419422 
1 1 1 8   6  10 o 364.7170 4.731570 16130.00       417.4956 16211.93       593.0823 16049.53       587.8090 365.6333 6.704509 363.8008 6.678367 1.832458       9.463140 
1 1 1 8   6  11 o 169.1749 3.184525 3522.729       112.0683 3578.068       129.4849 3357.525       223.7248 171.9268 3.112957 166.4230 5.556464 5.503830       6.369050 
1 1 1 8   6  12 o 181.2888 3.304996 4010.544       124.3082 4037.205       143.1112 3928.614       250.8786 182.6078 3.239305 179.9697 5.761849 2.638138       6.609993 
1 1 1 8   6  13 o 161.5762 3.180693 3102.597       103.1950 3055.126       116.5080 3275.431       222.3098 158.8497 3.031568 164.3028 5.592570 -5.453110      6.361387 
1 1 1 8   6  14 o 219.5411 3.712942 5960.808       172.2980 6083.064       200.9672 5621.654       334.7255 224.0564 3.707365 215.0257 6.434221 9.030716       7.425885 
1 1 1 8   6  15 o 67.70447 3.343336 529.1860       41.43911 515.3658       45.30267 600.0000       102.5478 65.22094 2.871009 70.18799 6.038948 -4.967049      6.686672 
1 1 1 8   6  16 o 116.3891 2.947083 1620.448       67.81580 1601.413       76.19016 1693.040       148.7867 114.9340 2.739984 117.8442 5.218591 -2.910233      5.894167 
1 1 1 8   6  17 o 95.00112 3.122849 1084.717       56.90884 1074.127       63.32051 1129.209       129.7877 94.06519 2.782359 95.93706 5.591711 -1.871872      6.245698 
1 1 1 8   6  18 o 54.13312 3.934026 311.6709       39.79556 286.6781       43.33872 446.0440       100.4905 48.46785 3.695899 59.79839 6.945976 -11.33054      7.868052 
1 1 1 8   6  19 o 34.37044 6.256218 125.5661       37.65439 114.2925       40.08962 209.9940       109.7094 29.82478 5.764456 38.91609 11.10550 -9.091311      12.51244 
1 1 1 8   6  20 o 30.47039 6.681260 128.7599       51.94608 137.2420       60.67342 105.4729       100.5318 31.84267 7.910895 29.09810 10.76915 2.744570       13.36252 
1 1 1 8   8  0  o 627.4864 7.822536 47703.27       1186.906 46945.19       1646.583 48523.20       1712.431 622.3152 10.93631 632.6576 11.18773 -10.34241      15.64507 
1 1 1 8   8  1  o 399.6127 5.129082 19292.87       495.0797 20031.75       725.5905 18649.24       677.2076 406.7505 7.373288 392.4749 7.131940 14.27567       10.25816 
1 1 1 8   8  2  f 671.7122 8.329345 54686.11       1353.486 55145.74       1930.445 54241.70       1898.199 674.4819 11.83000 668.9423 11.72872 5.539612       16.65869 
1 1 1 8   8  3  f 437.2285 7.875346 23144.51       833.0681 0.000000       0.000000 23144.51       833.0681 ?        ?        437.2285 7.875346 ?              ?        
1 1 1 8   8  4  o 891.9086 10.98291 96533.13       2369.905 96180.94       3338.436 96890.91       3364.823 890.2746 15.49946 893.5425 15.56484 -3.267944      21.96583 
1 1 1 8   8  5  o 422.3289 5.389437 21579.63       550.3914 22028.68       793.9616 21164.21       763.6641 426.5522 7.693518 418.1055 7.549430 8.446747       10.77887 
1 1 1 8   8  6  o 115.6189 3.318974 1617.382       92.83998 1617.382       92.83998 0.000000       0.000000 115.6189 3.318974 ?        ?        ?              ?        
1 1 1 8   8  7  o 206.2951 3.049181 5140.776       152.0144 4953.354       208.9940 5351.325       221.5134 202.3109 4.269845 210.2793 4.354128 -7.968384      6.098361 
1 1 1 8   8  8  o 390.7075 5.028964 18499.62       475.3428 18632.70       676.7164 18370.00       667.8438 392.0922 7.133723 389.3229 7.090269 2.769287       10.05793 
1 1 1 8   8  9  o 115.4847 2.335379 1614.209       65.22234 1613.811       90.90657 1614.631       93.63036 115.4709 3.254020 115.4984 3.350722 -0.2743530E-01 4.670759 
1 1 1 8   8  10 o 121.0230 2.381666 1771.923       69.69501 1741.554       96.63344 1804.846       100.6143 119.9439 3.330020 122.1020 3.405921 -2.158096      4.763332 
1 1 1 8   8  11 o 279.9273 4.668132 9488.427       297.1696 9575.253       518.7790 9446.022       362.5444 280.7212 7.638443 279.1334 5.368428 1.587830       9.336264 
1 1 1 8   8  12 o 315.3027 5.129635 12079.97       369.2017 12075.91       452.5943 12088.04       638.3032 315.4652 5.930007 315.1403 8.371837 0.3249207      10.25927 
1 1 1 8   8  13 f 325.2728 4.991235 12973.71       342.5565 13087.94       397.9969 12647.23       672.8531 328.4865 5.007950 322.0591 8.635400 6.427368       9.982470 
1 1 1 8   8  14 o 102.7878 3.118579 1288.496       61.50995 1292.873       68.64719 1270.672       138.5381 103.3234 2.746133 102.2522 5.600080 1.071266       6.237159 
1 1 1 8   8  15 o 44.15360 4.899321 210.2393       36.46643 197.6934       39.16922 291.8501       99.90073 40.35309 4.012045 47.95411 8.939623 -7.601025      9.798641 
1 1 1 8   8  16 o 20.55908 5.659522 36.77885       31.56305 40.82392       33.90401 10.48424       86.44132 18.81558 6.313980 22.30258 9.394382 -3.486996      11.31904 
1 1 1 8   8  17 o 59.50943 3.872298 405.1939       42.97197 389.2588       47.11086 484.1166       104.8439 56.54877 3.443464 62.47009 6.936953 -5.921318      7.744596 
1 1 1 8   8  18 o 124.5071 3.149564 1942.077       78.85659 1975.675       89.88994 1829.863       164.2775 127.4017 2.916309 121.6125 5.583381 5.789169       6.299127 
1 1 1 8   8  19 o 77.87859 3.761489 743.8685       54.35033 737.6494       59.96022 772.5164       128.6900 77.68378 3.190293 78.07339 6.813020 -0.3896179     7.522979 
1 1 1 8   8  20 o 39.21367 6.154082 215.8962       44.53944 219.6636       48.65909 196.4307       110.6047 41.92336 4.797396 36.50397 11.33472 5.419388       12.30816 
1 1 1 8   10 0  o 607.3944 7.575461 44595.99       1111.187 43153.45       1517.366 46264.28       1631.775 596.8428 10.50819 617.9460 10.91459 -21.10321      15.15092 
1 1 1 8   10 1  o 511.7962 6.451653 31701.59       798.4474 32281.36       1151.497 31164.69       1108.103 516.2946 9.218553 507.2978 9.028488 8.996857       12.90331 
1 1 1 8   10 2  o 684.5304 8.498239 56756.98       1406.702 55682.54       1952.073 57917.66       2028.905 677.8082 11.90384 691.2526 12.13173 -13.44434      16.99648 
1 1 1 8   10 3  o 404.0208 5.197383 19755.37       507.9136 20031.13       727.8531 19493.63       709.1104 406.7661 7.395995 401.2755 7.304136 5.490662       10.39477 
1 1 1 8   10 4  o 295.9120 3.980090 10592.83       284.8486 10784.01       409.2931 10413.25       396.6765 298.4990 5.667470 293.3250 5.589657 5.174072       7.960181 
1 1 1 8   10 5  o 186.6804 3.530037 4207.406       150.4750 4248.662       260.6929 4186.792       184.2714 187.3507 5.751374 186.0100 4.094673 1.340683       7.060074 
1 1 1 8   10 6  o 339.3156 5.461003 13903.37       421.2115 13814.30       513.3645 14086.85       736.8243 337.7508 6.282423 340.8804 8.934282 -3.129608      10.92201 
1 1 1 8   10 7  o 329.0468 6.135880 13116.83       488.4688 13116.83       488.4688 0.000000       0.000000 329.0468 6.135880 ?        ?        ?              ?        
1 1 1 8   10 8  o 310.4164 4.152589 11667.55       311.6625 11925.16       450.6171 11431.31       431.5178 313.6924 5.937468 307.1403 5.807104 6.552124       8.305179 
1 1 1 8   10 9  o 196.5434 3.625027 4714.148       164.2479 4568.709       276.0153 4793.884       204.3710 194.1287 5.876804 198.9581 4.245758 -4.829468      7.250054 
1 1 1 8   10 10 o 571.2145 8.841592 39884.11       1149.172 39797.64       1404.172 40059.49       1999.772 571.3931 10.15741 571.0360 14.47487 0.3570557      17.68318 
1 1 1 8   10 11 o 66.55046 2.680184 535.8474       43.12692 562.1722       62.06976 511.2769       59.96597 68.12955 3.765669 64.97137 3.814877 3.158180       5.360369 
1 1 1 8   10 12 f 348.1628 4.574786 14722.05       385.2932 14555.74       539.2791 14895.47       550.6732 346.1615 6.439208 350.1642 6.500099 -4.002625      9.149572 
1 1 1 8   10 13 o 201.7141 3.058547 4929.214       149.1807 5078.714       215.4059 4791.417       206.8038 204.6476 4.350596 198.7806 4.300135 5.866943       6.117095 
1 1 1 8   10 14 f 198.3573 3.028898 4776.471       145.3539 4800.416       205.2924 4752.400       205.8315 198.8585 4.267037 197.8561 4.299916 1.002350       6.057795 
1 1 1 8   10 15 o 79.98565 3.554976 783.1420       52.05321 785.0652       57.30185 774.0630       124.5011 80.45868 2.943699 79.51262 6.471944 0.9460602      7.109953 
1 1 1 8   10 16 o 60.72044 5.107213 589.5975       47.07811 654.8049       52.11240 300.1785       109.7883 73.43203 2.933278 48.00884 9.784190 25.42319       10.21443 
1 1 1 8   10 17 o 61.88375 3.887562 429.0684       44.67709 407.0828       48.81396 542.5342       110.8940 57.78969 3.491333 65.97781 6.947167 -8.188114      7.775123 
1 1 1 8   10 18 o 116.5998 3.238869 1719.984       74.78807 1756.468       84.86203 1593.099       158.2563 120.0585 2.921582 113.1410 5.781475 6.917465       6.477738 
1 1 1 8   10 19 o 32.88406 6.246587 155.9683       44.91292 167.0428       49.17594 100.2736       110.2799 36.48623 5.570848 29.28190 11.18235 7.204334       12.49317 
1 1 1 8   10 20 o 27.39459 6.798904 98.37450       48.90881 100.8587       54.17875 87.43606       113.6868 27.08607 7.827078 27.70312 11.11923 -0.6170444     13.59781 
1 1 1 8   12 0  o 764.3360 9.457862 70698.98       1745.297 73536.03       2569.954 68270.55       2377.688 778.4858 13.64496 750.1862 13.10037 28.29956       18.91572 
1 1 1 8   12 1  o 645.8983 8.046184 50557.17       1256.890 49828.36       1749.427 51334.74       1806.993 641.1017 11.27889 650.6949 11.47828 -9.593262      16.09237 
1 1 1 8   12 2  o 416.5934 5.346155 21013.47       538.7856 21200.38       768.3268 20832.64       755.7446 418.4141 7.589923 414.7728 7.531172 3.641357       10.69231 
1 1 1 8   12 3  o 347.6620 4.561006 14633.48       383.6236 14705.94       545.2435 14562.45       539.8481 348.5134 6.466492 346.8106 6.433939 1.702850       9.122011 
1 1 1 8   12 4  o 242.1070 3.459753 7080.188       202.3753 6819.765       277.4541 7376.255       295.8329 237.3618 4.831456 246.8522 4.953443 -9.490417      6.919506 
1 1 1 8   12 5  f 227.2074 3.299752 6244.566       181.2874 6102.108       251.3497 6399.025       261.7231 224.5103 4.627430 229.9045 4.705352 -5.394241      6.599504 
1 1 1 8   12 6  f 246.1356 3.468745 7332.259       206.4803 7183.920       287.1324 7491.118       297.1390 243.5609 4.872731 248.7103 4.938143 -5.149384      6.937490 
1 1 1 8   12 7  o 230.1248 3.305787 6410.833       183.9965 6537.401       264.2127 6291.655       256.3846 232.3276 4.700571 227.9221 4.649467 4.405502       6.611573 
1 1 1 8   12 8  o 300.0851 4.932763 10962.19       339.2224 10820.94       579.9084 11035.66       418.2441 298.4557 8.031140 301.7144 5.729693 -3.258728      9.865526 
1 1 1 8   12 9  o 366.3437 4.776902 16290.61       423.3833 16342.50       600.2624 16239.24       597.2577 366.9231 6.761823 365.7643 6.749290 1.158722       9.553803 
1 1 1 8   12 10 o 213.5941 4.475725 5528.342       231.2889 0.000000       0.000000 5528.342       231.2889 ?        ?        213.5941 4.475725 ?              ?        
1 1 1 8   12 11 o 145.9833 2.656967 2581.598       93.83395 2580.640       133.4958 2582.533       131.9207 145.9552 3.780467 146.0113 3.734430 -0.5603027E-01 5.313934 
1 1 1 8   12 12 o 139.3948 2.658215 2352.841       89.59617 2467.845       128.5337 2244.146       124.9582 142.7079 3.722773 136.0817 3.795443 6.626190       5.316430 
1 1 1 8   12 13 o 208.3296 3.146552 5267.273       158.5688 5379.778       226.6104 5159.335       221.9622 210.5087 4.449461 206.1505 4.450332 4.358185       6.293104 
1 1 1 8   12 14 f 63.95332 2.911025 496.7038       45.01936 490.1399       62.53527 503.7654       64.86245 63.51812 4.069350 64.38851 4.163731 -0.8703880     5.822050 
1 1 1 8   12 15 o 83.45905 2.647856 843.2257       53.32103 932.0908       78.33783 766.5167       72.78286 87.54202 3.698730 79.37608 3.789982 8.165939       5.295712 
1 1 1 8   12 16 o 111.1826 3.316501 1518.360       81.92747 1525.235       98.25780 1502.677       148.4019 111.8710 3.630340 110.4942 5.551338 1.376793       6.633002 
1 1 1 8   12 17 o 49.88140 4.643288 282.7498       45.17283 264.9781       50.02769 361.2136       105.1186 46.45263 4.451413 53.31018 8.150180 -6.857544      9.286576 
1 1 1 8   12 18 o 35.07194 6.315259 160.7575       44.32197 160.7614       48.49574 160.7377       109.2051 35.87003 5.588169 34.27384 11.32706 1.596195       12.63052 
1 1 1 8   12 19 f 49.77955 5.782309 341.1006       50.83813 346.4551       56.29523 317.4301       118.3636 52.77703 4.408840 46.78207 10.69124 5.994968       11.56462 
1 1 1 8   12 20 o 42.20498 7.510883 277.7481       74.98151 285.4254       93.33009 263.7716       125.9267 44.42937 8.991227 39.98059 12.03376 4.448788       15.02177 
1 1 1 8   14 0  o 347.6988 4.585839 14644.22       385.7628 14654.47       544.5109 14633.89       546.5972 347.8220 6.470639 347.5755 6.500039 0.2465210      9.171678 
1 1 1 8   14 1  o 507.2981 6.407698 31191.41       785.9026 30540.95       1087.444 31902.62       1137.085 501.7823 8.957553 512.8138 9.164967 -11.03152      12.81540 
1 1 1 8   14 2  o 534.1997 6.732613 34612.30       869.5906 33940.51       1204.372 35343.96       1256.882 528.8091 9.413676 539.5902 9.627824 -10.78107      13.46523 
1 1 1 8   14 3  o 425.4003 5.460482 21944.09       561.9369 22144.58       801.6022 21750.37       787.9706 427.3062 7.753851 423.4945 7.690595 3.811646       10.92096 
1 1 1 8   14 4  o 233.9861 3.391689 6630.527       191.9996 6664.406       271.2216 6596.496       271.8364 234.5862 4.778808 233.3860 4.814272 1.200226       6.783378 
1 1 1 8   14 5  o 302.4591 5.779308 11086.91       422.9070 0.000000       0.000000 11086.91       422.9070 ?        ?        302.4591 5.779308 ?              ?        
1 1 1 8   14 6  o 309.5279 4.165761 11614.99       311.9560 11580.87       440.1433 11649.42       442.2087 309.0718 5.886165 309.9840 5.896382 -0.9122314     8.331522 
1 1 1 8   14 7  o 380.5069 4.942221 17573.91       454.9392 17712.03       648.2752 17439.88       638.5964 381.9750 7.014910 379.0388 6.963708 2.936279       9.884441 
1 1 1 8   14 8  o 91.30547 2.691682 1008.793       59.43139 1051.728       85.36940 968.4154       82.78741 93.18958 3.786453 89.42135 3.826668 3.768227       5.383365 
1 1 1 8   14 9  o 182.0212 2.927153 4010.787       128.8530 4138.396       185.3701 3891.484       179.2359 184.8199 4.145611 179.2224 4.133619 5.597534       5.854306 
1 1 1 8   14 10 o 205.3286 3.119598 5109.951       154.9665 5077.959       218.1467 5142.542       220.1789 204.6804 4.405244 205.9767 4.418301 -1.296249      6.239196 
1 1 1 8   14 11 o 157.9617 2.804838 3011.644       106.9634 3249.138       157.4048 2807.880       145.7992 163.7226 3.973808 152.2008 3.959460 11.52179       5.609676 
1 1 1 8   14 12 o 122.8407 3.709329 1829.969       110.2402 0.000000       0.000000 1829.969       110.2402 ?        ?        122.8407 3.709329 ?              ?        
1 1 1 8   14 13 o 106.9210 2.634645 1387.677       68.15112 1399.682       96.85703 1375.905       95.91042 107.3788 3.728296 106.4633 3.723604 0.9154663      5.269290 
1 1 1 8   14 14 o 123.5994 2.645417 1852.040       78.98250 1973.281       115.5852 1745.839       108.1786 127.3806 3.750563 119.8181 3.731784 7.562500       5.290834 
1 1 1 8   14 15 o 109.5585 2.669019 1457.135       70.53408 1625.457       103.1348 1309.227       96.67844 115.4967 3.690908 103.6203 3.856404 11.87642       5.338039 
1 1 1 8   14 16 o 74.79648 2.904726 678.4226       52.30053 775.8830       78.21345 599.5970       70.33976 79.61962 4.060308 69.97334 4.154952 9.646286       5.809452 
1 1 1 8   14 17 o 27.17798 5.708221 91.66811       41.02151 133.0890       63.02551 61.22345       54.03342 31.57757 8.182878 22.77839 7.960883 8.799185       11.41644 
1 1 1 8   14 18 o 49.81940 5.486382 298.3235       50.61189 280.6047       55.85361 379.6550       119.6637 47.42784 4.867609 52.21098 9.834021 -4.783138      10.97276 
1 1 1 8   14 19 o 21.56100 6.194715 43.74699       48.75056 68.33994       53.06033 -89.45866      123.4883 22.94362 7.896175 20.17837 9.547166 2.765259       12.38943 
1 1 1 8   14 20 o 19.43661 6.408105 -49.35321      76.95881 17.32302       91.21709 -214.0392      143.3571 20.86217 9.213361 18.01105 8.908941 2.851110       12.81621 
1 1 1 8   16 0  o 279.8276 3.861400 9397.474       259.7029 8744.002       344.1169 10262.16       395.8420 268.6476 5.294450 291.0076 5.622317 -22.36002      7.722800 
1 1 1 8   16 1  o 354.4713 4.662667 15236.42       399.8557 15323.29       568.3217 15151.26       562.6830 355.4698 6.608290 353.4726 6.579694 1.997223       9.325335 
1 1 1 8   16 2  o 230.0690 3.361379 6411.662       187.1011 6431.631       264.6219 6391.699       264.5799 230.4277 4.746669 229.7103 4.760736 0.7173767      6.722757 
1 1 1 8   16 3  o 512.3240 9.172364 31920.31       1136.916 0.000000       0.000000 31920.31       1136.916 ?        ?        512.3240 9.172364 ?              ?        
1 1 1 8   16 4  o 90.48445 2.750440 990.9396       60.18652 974.8557       83.68362 1008.174       86.62579 89.72507 3.855000 91.24384 3.924112 -1.518768      5.500880 
1 1 1 8   16 5  o 329.5843 4.388920 13168.90       349.8004 13448.90       504.2155 12909.09       485.6895 332.9517 6.259399 326.2169 6.153892 6.734741       8.777840 
1 1 1 8   16 6  o 120.5971 2.678093 1761.389       78.13518 1742.825       110.5005 1779.953       110.4992 119.9608 3.807347 121.2333 3.767339 -1.272514      5.356186 
1 1 1 8   16 7  f 222.1635 3.298551 5980.445       177.2677 5904.241       248.0134 6060.035       253.4641 220.7188 4.644441 223.6082 4.685182 -2.889374      6.597103 
1 1 1 8   16 8  o 249.1038 3.552836 7524.370       214.1086 7568.208       304.7057 7481.613       300.9202 249.8184 5.041433 248.3892 5.007447 1.429199       7.105672 
1 1 1 8   16 9  o 254.8523 3.615397 7878.799       222.8949 7964.714       318.0827 7795.907       312.4352 256.2144 5.131380 253.4901 5.094441 2.724304       7.230794 
1 1 1 8   16 10 o 145.9343 2.801567 2581.617       98.90643 2618.060       140.9586 2546.273       138.8156 146.9484 3.964829 144.9202 3.959196 2.028229       5.603133 
1 1 1 8   16 11 o 143.2795 2.739926 2489.400       94.94878 2440.895       132.2674 2540.971       136.3829 141.8425 3.854287 144.7166 3.895285 -2.874039      5.479852 
1 1 1 8   16 12 o 189.9812 3.045519 4387.944       139.9816 4389.405       198.3649 4386.494       197.5652 190.0109 4.315032 189.9514 4.298982 0.5949402E-01  6.091038 
1 1 1 8   16 13 o 171.8237 2.933790 3583.534       121.7425 3805.466       178.7502 3391.518       166.2668 176.7606 4.179831 166.8868 4.117951 9.873779       5.867581 
1 1 1 8   16 14 o 57.66810 3.646930 408.4257       50.67953 455.5897       72.39796 363.1079       70.96681 60.97417 4.907702 54.36203 5.395819 6.612144       7.293860 
1 1 1 8   16 15 f 50.04434 4.440074 310.0083       49.74569 458.9130       75.70457 196.8564       65.99315 61.02950 5.127197 39.05918 7.250441 21.97031       8.880149 
1 1 1 8   16 16 o 99.13328 2.868713 1200.838       68.57565 1284.676       102.1897 1132.154       92.49467 102.2365 4.131414 96.03001 3.981140 6.206528       5.737426 
1 1 1 8   16 17 o 33.53401 5.366313 133.0619       49.47706 278.7711       76.55723 28.55272       64.83658 46.67365 6.779727 20.39437 8.320129 26.27927       10.73263 
1 1 1 8   16 18 o 19.26690 5.785658 13.81664       47.88108 -24.62074      77.53866 37.50747       60.87395 18.10690 8.205791 20.42690 8.158454 -2.319998      11.57132 
1 1 1 8   16 19 o 19.06326 6.179919 -7.273509      55.50366 7.113930       61.80381 -67.24569      126.1823 17.68191 7.702541 20.44462 9.666254 -2.762707      12.35984 
1 1 1 8   18 0  o 108.6526 2.800566 1422.689       73.41535 1292.146       100.1436 1574.363       107.9447 103.2895 4.007417 114.0158 3.913219 -10.72630      5.601132 
1 1 1 8   18 1  o 206.2150 3.179291 5148.575       158.5414 5261.846       228.5775 5043.563       220.0864 208.3965 4.533574 204.0335 4.458507 4.363083       6.358582 
1 1 1 8   18 2  o 155.2403 2.840566 2918.624       106.6781 2867.033       149.9990 2971.426       151.7474 153.8517 4.029804 156.6289 4.004489 -2.777206      5.681132 
1 1 1 8   18 3  o 237.2944 3.463154 6824.594       198.8113 6789.265       279.5494 6860.750       282.8022 236.6745 4.882079 237.9143 4.913150 -1.239761      6.926307 
1 1 1 8   18 4  o 174.9695 2.943732 3708.122       124.5896 3671.461       174.2022 3746.511       178.2604 174.0860 4.136065 175.8529 4.189894 -1.766891      5.887465 
1 1 1 8   18 5  o 80.75906 3.094480 790.4003       60.44365 791.7283       84.48880 789.0080       86.50740 80.83038 4.320383 80.68775 4.431425 0.1426315      6.188961 
1 1 1 8   18 6  o 266.9222 3.746209 8642.613       241.9175 8603.134       340.6154 8682.798       343.6510 266.3087 5.286601 267.5357 5.309255 -1.226959      7.492419 
1 1 1 8   18 7  o 244.1439 3.538439 7229.996       208.9892 7156.887       293.2496 7305.450       297.9164 242.8918 4.990250 245.3960 5.017930 -2.504196      7.076879 
1 1 1 8   18 8  o 147.6124 2.876648 2640.904       102.7157 2591.191       143.6707 2692.881       146.9073 146.1924 4.062010 149.0324 4.074369 -2.839981      5.753295 
1 1 1 8   18 9  o 200.1082 3.150538 4861.090       152.5268 4831.041       215.0864 4891.488       216.3300 199.4859 4.456544 200.7304 4.454523 -1.244476      6.301076 
1 1 1 8   18 10 o 65.13890 3.584151 517.6171       56.31552 494.9158       81.71763 538.1502       77.71722 63.75759 5.297629 66.52022 4.829045 -2.762630      7.168302 
1 1 1 8   18 11 o 78.25078 3.094739 744.2725       58.47943 810.2799       84.21902 682.8145       81.26489 81.60880 4.265510 74.89275 4.484983 6.716042       6.189479 
1 1 1 8   18 12 o 37.50346 5.449769 181.6208       47.98378 154.8914       73.36980 201.5978       63.42904 34.55332 8.763512 40.45359 6.480802 -5.900272      10.89954 
1 1 1 8   18 13 o 66.66579 3.641102 546.2246       58.57206 539.9492       85.71764 551.7211       80.22200 66.26725 5.346492 67.06432 4.944241 -0.7970734     7.282204 
1 1 1 8   18 14 o 161.3008 2.930957 3173.102       114.1258 3451.023       167.7462 2933.600       155.7206 167.8546 4.130638 154.7470 4.159311 13.10757       5.861915 
1 1 1 8   18 15 o 165.7587 2.992908 3336.164       119.2084 3808.090       181.6886 2979.444       157.9626 175.8904 4.269562 155.6271 4.195336 20.26332       5.985817 
1 1 1 8   18 16 f 44.26874 5.619920 279.3207       55.89196 160.5598       83.48445 375.7907       75.24277 33.91105 9.691284 54.62643 5.693242 -20.71538      11.23984 
1 1 1 8   18 17 o 26.65145 6.780876 93.11939       56.16497 77.57529       80.97141 107.5332       77.97200 25.34392 9.604961 27.95897 9.574227 -2.615046      13.56175 
1 1 1 8   18 18 o 21.17605 6.298796 35.06742       54.44989 41.09965       82.39070 30.38988       72.55181 21.93010 9.201051 20.42200 8.604650 1.508097       12.59759 
1 1 1 8   20 0  o 172.5495 2.984167 3602.926       124.4611 3498.789       171.5561 3718.639       180.8398 169.9242 4.173002 175.1749 4.266973 -5.250610      5.968334 
1 1 1 8   20 1  o 109.1817 2.932684 1444.344       77.45538 1437.629       108.4877 1451.326       110.6203 108.9243 4.116742 109.4392 4.177916 -0.5149002     5.865368 
1 1 1 8   20 2  o 62.11716 3.879020 467.5809       58.21509 434.0918       80.88469 503.5727       83.85265 59.80893 5.589821 64.42539 5.379692 -4.616459      7.758040 
1 1 1 8   20 3  o 187.9243 3.089389 4276.845       140.3716 4387.250       202.9917 4175.668       194.3227 190.2428 4.410296 185.6059 4.327423 4.636902       6.178779 
1 1 1 8   20 4  o 189.2502 3.094906 4342.339       141.7009 4361.168       199.8888 4323.318       200.9057 189.6646 4.356121 188.8358 4.397497 0.8287964      6.189812 
1 1 1 8   20 5  o 129.3285 2.847393 2023.333       88.99186 2119.211       129.6705 1937.969       122.3549 132.2168 4.053705 126.4402 3.999758 5.776581       5.694786 
1 1 1 8   20 6  o 72.12444 3.743985 632.2889       65.17735 689.0627       92.94810 577.3662       91.42028 75.32242 5.100514 68.92645 5.482193 6.395966       7.487969 
1 1 1 8   20 7  o 188.3154 3.109931 4298.536       141.5669 4480.455       205.4656 4134.121       195.3304 192.0988 4.420914 184.5320 4.375179 7.566803       6.219861 
1 1 1 8   20 8  o 101.8401 2.899185 1260.741       71.28619 1359.400       101.1471 1163.371       100.4840 105.8168 3.950902 97.86333 4.243992 7.953484       5.798370 
1 1 1 8   20 9  o 146.0925 2.881358 2583.976       101.6145 2761.487       149.9232 2433.139       138.2008 150.7077 4.111792 141.4773 4.037583 9.230438       5.762717 
1 1 1 8   20 10 o 58.05291 4.052684 415.0177       56.16881 399.7535       85.82080 426.4558       74.29038 57.04823 6.217962 59.05759 5.199416 -2.009357      8.105368 
1 1 1 8   20 11 o 113.1022 2.925259 1552.803       79.79429 1733.099       117.3889 1397.945       108.7931 119.1886 4.070895 107.0158 4.201949 12.17276       5.850518 
1 1 1 8   20 12 o 39.35745 5.542063 201.2466       51.37803 170.9975       75.86320 226.8759       69.83016 36.03063 8.782579 42.68428 6.761963 -6.653648      11.08413 
1 1 1 8   20 13 o 64.73997 3.808447 522.2322       59.23300 574.4718       82.25653 465.9683       85.36620 68.23145 4.982914 61.24850 5.760871 6.982952       7.616894 
1 1 1 8   20 14 o 100.6311 3.120932 1243.680       75.79725 1351.750       111.8288 1151.839       103.0906 104.6539 4.416684 96.60837 4.410642 8.045502       6.241863 
1 1 1 8   20 15 o 60.04128 4.213934 456.8914       61.20448 449.7330       86.68362 464.0079       86.42935 59.54573 6.017056 60.53683 5.901186 -0.9910965     8.427868 
1 1 1 8   20 16 o 24.36019 6.680918 62.13194       58.69887 102.8126       81.25311 17.72606       84.89186 27.48928 9.748906 21.23110 9.137697 6.258184       13.36184 
1 1 1 8   20 17 o 76.03672 3.906184 753.5696       71.70544 798.7844       100.7920 707.2345       102.0330 78.56017 5.302996 73.51327 5.736840 5.046906       7.812369 
1 1 1 8   22 0  o 266.8093 3.781423 8645.822       244.0398 8805.619       349.7022 8494.127       340.7217 269.2068 5.369204 264.4117 5.326190 4.795105       7.562847 
1 1 1 8   22 1  o 133.4556 2.901990 2159.807       93.68698 2133.066       131.2118 2187.619       133.8133 132.6143 4.089593 134.2969 4.118423 -1.682571      5.803980 
1 1 1 8   22 2  o 190.2386 3.135347 4392.321       144.3033 4427.688       204.8961 4357.515       203.2650 190.9984 4.434061 189.4789 4.434039 1.519577       6.270693 
1 1 1 8   22 3  o 63.34297 3.863883 484.7727       59.00650 447.7395       79.53636 530.1063       87.99956 60.67336 5.418329 66.01257 5.509999 -5.339211      7.727767 
1 1 1 8   22 4  o 180.0805 3.067105 3927.878       133.4556 4169.749       194.5577 3712.942       183.4051 185.3024 4.339752 174.8586 4.335330 10.44385       6.134211 
1 1 1 8   22 5  o 156.6848 2.910347 2974.668       110.1936 3169.553       160.0788 2799.152       151.9160 161.5543 4.095558 151.8154 4.136045 9.738846       5.820693 
1 1 1 8   22 6  o 85.68310 3.229562 893.8151       66.89497 874.6151       95.88202 912.0244       93.37532 84.77425 4.674885 86.59194 4.457099 -1.817688      6.459124 
1 1 1 8   22 7  o 130.3569 3.539017 2006.458       102.9956 2246.282       190.4819 1907.371       122.4376 135.4925 5.810803 125.2212 4.041426 10.27130       7.078033 
1 1 1 8   22 8  o 126.4326 2.892221 1940.561       88.28989 2054.821       130.0265 1842.812       120.2655 129.8632 4.138506 123.0019 4.041353 6.861259       5.784441 
1 1 1 8   22 9  o 48.00793 4.779991 283.3077       55.29116 320.6999       81.99197 252.1223       74.87836 50.90871 6.656974 45.10714 6.861337 5.801579       9.559981 
1 1 1 8   22 10 o 126.4825 2.899392 1953.268       88.67036 2041.375       127.8394 1871.581       123.0929 129.2318 4.088773 123.7333 4.111914 5.498413       5.798785 
1 1 1 8   22 11 f 76.44678 3.648129 722.3359       67.34509 696.9196       97.13695 745.8597       93.45063 75.09402 5.346589 77.79955 4.964813 -2.705528      7.296258 
1 1 1 8   22 12 o 66.57919 4.031002 552.5799       64.92461 541.8184       91.46432 563.5090       92.17434 65.91377 5.735525 67.24462 5.665655 -1.330849      8.062003 
1 1 1 8   22 13 o 36.83869 6.002344 180.6971       57.93018 295.6736       83.70065 74.98170       80.25898 47.99125 7.208825 25.68613 9.599237 22.30512       12.00469 
1 1 1 8   22 14 o 31.09137 6.843754 134.3955       57.73087 105.4914       80.02995 165.7546       83.35935 28.07099 9.695366 34.11175 9.661663 -6.040758      13.68751 
1 1 1 8   22 15 o 62.51756 4.465596 513.8954       66.87341 554.1328       91.24027 467.1900       98.30044 65.57233 5.751269 59.46280 6.832942 6.109524       8.931192 
1 1 1 8   22 16 o 29.32738 6.326534 88.90311       64.31773 -55.75701      86.28137 269.8218       96.49047 17.08430 8.051600 41.57047 9.760732 -24.48617      12.65307 
1 1 1 8   24 0  o 134.6252 2.915138 2196.919       94.79908 2367.850       138.1269 2044.708       130.3437 139.5664 4.090677 129.6840 4.154334 9.882416       5.830277 
1 1 1 8   24 1  o 158.6353 4.207044 3060.467       161.4653 0.000000       0.000000 3060.467       161.4653 ?        ?        158.6353 4.207044 ?              ?        
1 1 1 8   24 2  o 210.2014 3.282506 5348.876       166.3157 5767.087       248.6414 5010.248       223.7368 217.5657 4.723684 202.8372 4.559188 14.72852       6.565012 
1 1 1 8   24 3  o 84.15681 3.294348 861.5998       66.98701 925.6818       96.94132 803.0394       92.67080 87.15413 4.597467 81.15951 4.719557 5.994621       6.588696 
1 1 1 8   24 4  o 155.6855 2.939545 2943.223       110.5488 3116.024       161.9000 2792.279       151.3153 159.9474 4.183766 151.4237 4.130350 8.523727       5.879089 
1 1 1 8   24 5  o 74.71420 3.485398 686.5317       62.43682 648.6021       93.23108 717.3772       84.07505 72.77045 5.295455 76.65795 4.533228 -3.887497      6.970797 
1 1 1 8   24 6  o 57.72170 4.080243 410.8210       56.64505 400.3566       84.17903 419.4806       76.57604 56.99096 6.105141 58.45245 5.414868 -1.461491      8.160486 
1 1 1 8   24 7  o 136.8125 3.013868 2262.950       98.97937 2488.227       151.9554 2096.929       130.4490 142.6123 4.404096 131.0126 4.115524 11.59969       6.027735 
1 1 1 8   24 8  o 23.34752 6.680381 29.69132       60.23310 67.42644       84.87640 -8.593054      85.49187 25.97275 9.836114 20.72228 9.042171 5.250471       13.36076 
1 1 1 8   24 9  o 32.03773 6.861750 132.5044       60.55605 186.7932       85.56191 78.01904       85.71667 37.30265 9.465240 26.77281 9.936987 10.52984       13.72350 
1 1 1 8   24 10 f 35.05309 5.819951 136.5741       60.81056 317.8812       91.86771 -4.820923      81.12831 49.91344 7.607519 20.19275 8.809822 29.72070       11.63990 
1 1 1 8   24 11 o 88.80362 3.457014 979.6337       74.10934 1069.025       106.2582 894.9666       103.4126 92.82139 4.731645 84.78584 5.041361 8.035545       6.914028 
1 1 1 8   24 12 o 47.83614 5.528606 304.6411       62.28717 328.7895       87.19832 279.4822       89.00415 50.35375 7.157708 45.31853 8.427879 5.035217       11.05721 
1 1 1 8   24 13 o 20.94595 6.344971 18.73489       57.33589 17.88262       83.33767 19.50087       79.00601 21.10087 9.067122 20.79103 8.878172 0.3098412      12.68994 
1 1 1 8   24 14 o 41.17392 6.987233 258.8635       68.67807 257.5930       95.04675 260.2515       99.34680 41.23612 9.690947 41.11173 10.06833 0.1243896      13.97447 
1 1 1 8   24 15 o 69.35460 4.684619 663.7903       78.19952 594.5228       110.4597 733.3876       110.7224 65.22798 6.999510 73.48121 6.228119 -8.253227      9.369238 
1 1 1 8   26 0  o 46.49136 5.378274 271.6790       58.89891 312.8014       86.78970 236.5711       80.19223 50.14784 7.153419 42.83487 8.033177 7.312973       10.75655 
1 1 1 8   26 1  o 72.90135 3.739503 647.9824       65.59251 751.6898       97.19045 561.2363       88.88817 78.24943 5.133813 67.55327 5.438702 10.69616       7.479005 
1 1 1 8   26 2  o 118.9631 2.995278 1725.929       86.09444 1809.389       125.7787 1652.354       118.0959 121.6517 4.273530 116.2744 4.198058 5.377274       5.990555 
1 1 1 8   26 3  o 110.3805 3.074469 1487.318       81.98474 1561.739       119.9661 1422.104       112.3009 112.9523 4.389967 107.8088 4.305534 5.143555       6.148938 
1 1 1 8   26 4  f 89.89307 3.266119 988.4430       70.92693 1049.882       103.7375 934.5109       97.19362 92.50401 4.635248 87.28212 4.602674 5.221886       6.532238 
1 1 1 8   26 5  o 89.10005 3.368442 969.5013       72.20888 1037.513       109.2464 916.7355       96.22588 91.80841 4.918385 86.39169 4.603812 5.416725       6.736883 
1 1 1 8   26 6  o 39.99685 6.422848 211.4022       61.06382 265.4458       90.13387 165.5540       83.01881 44.87702 8.614832 35.11668 9.528723 9.760342       12.84570 
1 1 1 8   26 7  o 39.61433 6.841119 218.6584       65.91221 163.6370       98.80755 262.7730       88.47405 34.70341 10.70293 44.52526 8.523556 -9.821850      13.68224 
1 1 1 8   26 8  o 108.8117 3.420750 1460.513       89.82098 1604.652       132.2057 1336.939       122.4111 113.7927 4.802126 103.8307 4.872956 9.961929       6.841499 
1 1 1 8   26 9  o 31.80575 7.117468 139.9194       61.58047 151.8592       82.57490 124.9589       92.43226 33.07339 9.693523 30.53811 10.42444 2.535286       14.23494 
1 1 1 8   26 10 o 39.74931 6.346691 217.0835       62.35031 304.8868       90.76409 138.6244       85.79860 48.10885 7.798064 31.38977 10.01560 16.71908       12.69338 
1 1 1 8   26 11 o 106.8522 3.266229 1433.804       84.43151 1456.457       119.9297 1411.543       118.8855 107.7030 4.602531 106.0013 4.635700 1.701691       6.532458 
1 1 1 8   26 12 o 25.20257 6.593762 20.78080       67.81267 191.3781       99.65331 -126.3439      92.54403 34.72322 10.75519 15.68192 7.631292 19.04130       13.18752 
1 1 1 8   26 13 o 22.93998 6.886713 51.42352       67.92347 80.95310       91.17732 14.59962       101.8176 24.57470 9.924525 21.30526 9.550447 3.269438       13.77343 
1 1 1 8   28 0  f 79.95718 3.774467 789.1326       72.82690 857.0432       107.6546 731.8314       98.88850 83.10651 5.354207 76.80785 5.321547 6.298660       7.548933 
1 1 1 8   28 1  o 74.34747 3.949918 680.8269       70.49275 812.4879       105.1380 573.3039       95.01278 80.88918 5.372384 67.80575 5.791795 13.08344       7.899835 
1 1 1 8   28 2  o 110.9654 3.161179 1519.230       84.76154 1485.711       122.0944 1550.414       117.7647 109.7223 4.599372 112.2086 4.337971 -2.486305      6.322359 
1 1 1 8   28 3  o 75.65312 3.994397 700.9862       71.32435 949.2429       108.5197 512.1906       94.63549 87.43186 5.130227 63.87439 6.123857 23.55748       7.988795 
1 1 1 8   28 4  o 50.94666 5.484471 330.1001       65.32334 411.5516       100.8377 271.2018       85.74815 56.69338 7.351707 45.19993 8.140646 11.49345       10.96894 
1 1 1 8   28 5  o 35.77967 6.773298 181.4245       62.10530 120.0872       92.38995 231.9888       83.88503 30.19056 10.41777 41.36879 8.659122 -11.17823      13.54660 
1 1 1 8   28 6  o 37.30828 8.391481 195.8575       80.12305 183.6488       95.33453 225.2231       147.8550 35.90904 10.38445 38.70752 13.18450 -2.798473      16.78296 
1 1 1 8   28 7  o 76.59975 3.909149 741.6061       72.42593 746.7870       103.7771 736.6866       101.1259 76.82766 5.583179 76.37185 5.473015 0.4558105      7.818297 
1 1 1 8   28 8  o 39.20679 7.798546 207.1943       90.62766 415.5860       137.0369 45.19929       120.8226 52.75500 11.08881 25.65859 10.96848 27.09642       15.59709 
1 1 1 8   28 9  o 42.18616 9.153370 302.0062       103.2447 257.9417       143.9242 348.7210       148.1893 38.87184 13.00919 45.50048 12.88012 -6.628647      18.30674 
1 1 1 8   28 10 o 32.87556 8.804748 185.8781       95.61459 189.5300       147.3874 183.2243       125.6402 32.93306 12.83380 32.81807 12.05769 0.1149940      17.60950 
1 1 1 8   28 11 f 25.52504 7.844623 48.46072       95.65052 177.8703       140.7934 -62.46282      130.3500 30.77169 12.36584 20.27839 9.656003 10.49330       15.68925 
1 1 1 9   1  0  o 523.4905 9.324089 32835.75       1166.642 36525.88       1828.761 30303.39       1514.952 547.7726 13.79921 499.2084 12.54338 48.56421       18.64818 
1 1 1 9   1  1  o 136.7207 2.306255 2251.316       76.10185 2430.093       112.3822 2099.906       103.4236 141.7098 3.277897 131.7316 3.245095 9.978210       4.612510 
1 1 1 9   1  2  o 388.4311 4.981198 18277.33       468.0739 18427.79       667.1545 18131.48       656.8780 390.0031 7.070598 386.8592 7.018261 3.143890       9.962397 
1 1 1 9   1  3  o 395.7264 5.067564 18935.66       484.5017 19604.91       708.0797 18346.45       664.3837 402.2807 7.275294 389.1720 7.056268 13.10873       10.13513 
1 1 1 9   1  4  o 540.4414 6.764443 35404.49       884.4694 35436.34       1251.449 35372.70       1250.209 540.6842 9.566811 540.1986 9.565925 0.4855957      13.52889 
1 1 1 9   1  5  o 380.7488 4.902722 17324.10       447.2361 19142.33       693.3790 16028.72       585.2539 397.6229 7.207705 363.8746 6.647988 33.74829       9.805445 
1 1 1 9   1  6  o 238.8761 3.788862 7153.856       198.2210 7530.619       238.2675 6306.960       357.2282 249.4793 3.947552 228.2728 6.468287 21.20653       7.577725 
1 1 1 9   1  7  o 451.6255 6.635226 24471.33       619.2048 24260.22       708.7918 25151.70       1272.424 447.6939 6.543879 455.5573 11.54481 -7.863373      13.27045 
1 1 1 9   1  8  o 715.5995 10.16823 62861.84       1551.983 63657.07       1815.347 60701.96       2991.750 724.7302 10.35335 706.4689 17.50370 18.26129       20.33646 
1 1 1 9   1  9  o 479.4946 7.081577 27189.40       685.9064 26638.00       775.3968 29173.11       1470.722 468.9560 6.834230 490.0333 12.40517 -21.07727      14.16315 
1 1 1 9   1  10 f 335.7924 5.090329 13605.86       355.4569 13543.14       408.5327 13801.31       721.1437 334.4060 5.049524 337.1788 8.840142 -2.772797      10.18066 
1 1 1 9   1  11 o 322.8179 4.915006 12669.77       333.0179 12697.47       385.1525 12587.75       662.8622 323.7499 4.917233 321.8859 8.511753 1.864014       9.830011 
1 1 1 9   1  12 o 247.0501 3.997029 7247.960       201.7600 7119.825       229.3145 7687.092       424.5164 242.4676 3.909088 251.6326 6.973091 -9.165009      7.994058 
1 1 1 9   1  13 o 152.6332 2.552819 2819.604       94.23693 2753.313       131.1842 2890.289       135.4609 150.7813 3.596099 154.4851 3.624308 -3.703781      5.105638 
1 1 1 9   1  14 o 54.00566 2.734975 353.3798       35.49450 410.0968       51.19384 300.8756       49.25584 58.18362 3.636760 49.82770 4.085871 8.355923       5.469951 
1 1 1 9   1  15 o 152.3950 2.580341 2812.241       95.08580 2725.980       131.8715 2905.658       137.2319 149.9645 3.634629 154.8255 3.663619 -4.860977      5.160681 
1 1 1 9   1  16 o 123.2269 2.400079 1840.945       71.53513 1897.226       102.3939 1787.285       99.98112 125.0668 3.383997 121.3870 3.404422 3.679710       4.800159 
1 1 1 9   1  17 o 22.80032 4.579914 58.33976       30.67729 112.0357       43.66414 5.998932       43.10965 29.66599 6.279371 15.93466 6.668730 13.73133       9.159828 
1 1 1 9   1  18 o 93.56541 2.426283 1066.033       54.85832 997.5200       76.88401 1137.090       78.29808 90.48837 3.511891 96.64247 3.348735 -6.154106      4.852567 
1 1 1 9   1  19 o 110.6860 2.492863 1493.650       66.68491 1583.528       96.81388 1412.514       91.98472 113.8508 3.514788 107.5211 3.536060 6.329697       4.985725 
1 1 1 9   1  20 o 16.45785 4.731343 -19.41002      34.97594 55.23143       51.37078 -83.91093      47.75392 21.78409 7.748858 11.13161 5.431170 10.65247       9.462686 
1 1 1 9   3  0  o 465.5351 7.169083 26562.45       773.8851 27254.33       972.2091 25365.85       1278.541 474.1192 8.475588 456.9510 11.56492 17.16821       14.33817 
1 1 1 9   3  1  f 324.9520 4.260890 12771.51       334.6706 12430.98       461.3834 13149.62       486.1809 320.3910 5.952225 329.5129 6.098503 -9.121887      8.521779 
1 1 1 9   3  2  o 462.1475 5.844742 25802.92       651.8374 27022.73       964.2574 24776.40       884.5643 472.1535 8.441263 452.1414 8.086354 20.01208       11.68948 
1 1 1 9   3  3  o 203.4176 2.950585 5007.471       145.2061 4977.083       204.3488 5038.463       206.3710 202.7944 4.164988 204.0407 4.180513 -1.246307      5.901171 
1 1 1 9   3  4  o 88.02849 2.007293 936.9780       42.73554 905.2220       59.66895 970.4236       61.23588 86.49793 2.851283 89.55904 2.826144 -3.061111      4.014586 
1 1 1 9   3  5  o 505.2198 7.780955 30921.33       895.8862 30897.30       1096.160 30969.66       1554.766 505.0794 8.970402 505.3602 12.71633 -0.2807922     15.56191 
1 1 1 9   3  6  o 614.6127 8.874024 45385.75       1126.951 45018.56       1290.207 46567.52       2314.612 609.7383 8.746080 619.4871 15.44342 -9.748779      17.74805 
1 1 1 9   3  7  o 636.8508 9.160196 48988.20       1214.484 48801.73       1396.853 49565.74       2458.302 634.7733 9.095567 638.9283 15.90306 -4.155090      18.32039 
1 1 1 9   3  8  o 205.3521 3.456983 5167.755       150.1087 5237.738       174.7600 4970.851       293.1390 208.0593 3.471783 202.6448 5.979102 5.414581       6.913967 
1 1 1 9   3  9  o 238.1473 3.875000 6738.506       188.8060 6629.615       214.7759 7108.864       396.0961 234.0507 3.792917 242.2439 6.758423 -8.193207      7.750000 
1 1 1 9   3  10 o 250.3789 3.991667 7674.860       211.4126 7761.648       246.0557 7430.101       413.2144 253.2055 4.016594 247.5523 6.899318 5.653259       7.983334 
1 1 1 9   3  11 f 169.1556 3.127052 3374.837       107.1210 3302.786       121.1833 3632.362       229.1044 165.1885 3.032219 173.1228 5.469869 -7.934311      6.254104 
1 1 1 9   3  12 o 307.0305 4.748681 11372.42       302.1657 11307.17       346.6512 11578.82       616.5492 305.4768 4.690424 308.5843 8.258317 -3.107544      9.497362 
1 1 1 9   3  13 o 82.05783 2.962513 799.5217       46.22290 789.7250       51.23687 842.3558       107.1361 80.77344 2.621873 83.34222 5.313352 -2.568787      5.925026 
1 1 1 9   3  14 o 301.1602 4.687877 11015.67       294.3454 11006.59       339.0861 11043.43       592.8787 301.2795 4.651982 301.0408 8.140259 0.2387085      9.375753 
1 1 1 9   3  15 o 209.3757 3.620684 5256.950       155.1327 5197.952       176.7267 5455.086       323.8636 207.0817 3.527429 211.6698 6.324132 -4.588135      7.241367 
1 1 1 9   3  16 o 77.53722 2.977930 716.0547       44.41648 706.9257       49.41772 754.4319       101.3229 76.37770 2.674323 78.69675 5.321678 -2.319046      5.955859 
1 1 1 9   3  17 o 106.7926 2.379380 1385.848       61.45680 1433.426       87.35064 1339.212       86.48195 108.6133 3.324150 104.9718 3.405263 3.641563       4.758759 
1 1 1 9   3  18 o 110.2769 2.439927 1481.557       65.09622 1488.053       91.92318 1475.022       92.19736 110.5223 3.437739 110.0315 3.463370 0.4907303      4.879855 
1 1 1 9   3  19 o 94.33610 2.537512 1087.540       57.88636 1136.397       82.77510 1040.777       80.98172 96.41984 3.548387 92.25236 3.628334 4.167480       5.075023 
1 1 1 9   3  20 o 40.69704 4.272295 211.2103       40.23748 267.6205       58.82332 161.6043       55.16178 46.28537 5.252952 35.10872 6.739178 11.17665       8.544590 
1 1 1 9   5  1  o 292.9914 3.912084 10392.28       277.2969 10465.01       394.4968 10321.26       389.8583 294.0040 5.546103 291.9789 5.518908 2.025116       7.824168 
1 1 1 9   5  2  o 208.2610 4.266698 5249.035       214.9820 0.000000       0.000000 5249.035       214.9820 ?        ?        208.2610 4.266698 ?              ?        
1 1 1 9   5  3  o 368.7962 4.769235 16464.53       425.4660 16660.16       608.4728 16277.37       595.1480 370.9375 6.780132 366.6549 6.709114 4.282562       9.538469 
1 1 1 9   5  4  o 131.3333 3.312731 2086.887       105.2600 0.000000       0.000000 2086.887       105.2600 ?        ?        131.3333 3.312731 ?              ?        
1 1 1 9   5  5  o 480.9813 6.068130 27997.71       705.8495 28509.03       1015.719 27520.16       981.5994 485.2222 8.652276 476.7404 8.510400 8.481781       12.13626 
1 1 1 9   5  6  o 382.6449 4.926098 17722.07       456.0097 17857.05       649.3304 17590.71       640.5495 384.0817 6.987790 381.2081 6.945256 2.873566       9.852197 
1 1 1 9   5  7  o 508.7911 6.395760 31353.87       787.2314 31561.45       1121.416 31152.18       1105.384 510.4487 9.080553 507.1336 9.009247 3.315094       12.79152 
1 1 1 9   5  8  f 336.7517 4.407126 13720.67       358.8696 13449.76       497.7938 14013.83       517.8358 333.2960 6.173296 340.2074 6.291380 -6.911469      8.814252 
1 1 1 9   5  9  o 210.6844 3.559402 5365.312       155.7722 5356.348       179.0505 5393.218       315.9236 210.3755 3.517858 210.9934 6.188864 -0.6179504     7.118804 
1 1 1 9   5  10 o 345.4684 5.223652 14485.29       377.4293 14491.16       435.5522 14467.58       756.2436 345.8614 5.205182 345.0755 9.058270 0.7858887      10.44730 
1 1 1 9   5  11 o 142.4665 3.087738 2268.598       94.28553 2075.038       108.3040 2874.479       191.6157 130.9200 3.419291 154.0130 5.142467 -23.09294      6.175477 
1 1 1 9   5  12 o 77.09773 3.026734 723.2733       43.87048 725.1584       48.63984 715.0506       101.5873 77.40395 2.597327 76.79152 5.467940 0.6124268      6.053469 
1 1 1 9   5  13 o 309.3554 4.804629 11548.58       307.2696 11475.84       352.0678 11781.08       629.4512 307.6753 4.729675 311.0356 8.364688 -3.360291      9.609258 
1 1 1 9   5  14 o 144.5884 3.039121 2441.222       87.50706 2373.875       98.20592 2700.773       192.7928 140.0142 2.899100 149.1625 5.342308 -9.148285      6.078243 
1 1 1 9   5  15 o 80.41722 3.204585 803.2964       47.66789 813.6381       52.75385 757.2874       111.2704 81.95909 2.660448 78.87534 5.830908 3.083748       6.409171 
1 1 1 9   5  16 o 220.9074 3.760317 5930.245       171.4681 5912.095       196.5302 5988.103       350.8978 220.6540 3.681419 221.1608 6.557980 -0.5068512     7.520635 
1 1 1 9   5  17 o 55.22488 3.961484 350.6116       39.73777 339.2561       43.31617 410.9459       99.84556 52.82199 3.389479 57.62777 7.161345 -4.805779      7.922968 
1 1 1 9   5  18 o 94.59235 3.282472 1128.650       58.87025 1149.068       65.75378 1046.163       132.1631 97.21983 2.795526 91.96487 5.939994 5.254967       6.564944 
1 1 1 9   5  19 o 59.53440 3.160784 437.8442       45.11709 367.4021       63.17087 511.1885       64.45904 54.55362 4.786201 64.51518 4.129711 -9.961559      6.321568 
1 1 1 9   5  20 o 88.03490 3.832032 954.9802       81.61809 0.000000       0.000000 954.9802       81.61809 ?        ?        88.03490 3.832032 ?              ?        
1 1 1 9   7  0  o 107.2052 2.232625 1390.470       57.90205 1417.318       82.24371 1364.084       81.53266 108.2313 3.140851 106.1791 3.173878 2.052254       4.465249 
1 1 1 9   7  1  o 211.0879 3.066591 5392.037       156.6099 5413.271       221.9033 5370.963       221.0588 211.5020 4.336576 210.6739 4.337054 0.8281403      6.133183 
1 1 1 9   7  2  o 626.4417 7.791100 47569.49       1180.807 47678.30       1673.478 47461.59       1666.373 627.1538 11.02919 625.7294 11.00736 1.424377       15.58220 
1 1 1 9   7  3  o 280.8874 3.795792 9547.975       257.9464 9520.244       363.5251 9576.095       366.0708 280.4768 5.357166 281.2979 5.378934 -0.8210449     7.591585 
1 1 1 9   7  4  o 732.3074 9.054158 65002.65       1603.969 64454.07       2248.383 65571.17       2288.867 729.1688 12.74500 735.4460 12.86375 -6.277222      18.10832 
1 1 1 9   7  5  o 599.6793 7.475130 43515.70       1083.483 44721.03       1574.438 42431.37       1493.330 607.5459 10.71135 591.8128 10.42964 15.73309       14.95026 
1 1 1 9   7  6  o 224.2080 4.539371 6082.965       246.2347 0.000000       0.000000 6082.965       246.2347 ?        ?        224.2080 4.539371 ?              ?        
1 1 1 9   7  7  o 433.8085 5.526846 22767.30       579.5444 23376.57       841.3832 22217.27       799.4247 439.3177 7.916129 428.2994 7.714857 11.01828       11.05369 
1 1 1 9   7  8  o 282.7575 3.819394 9677.978       261.2197 9551.551       364.6124 9811.301       374.4237 280.8626 5.365809 284.6524 5.436836 -3.789764      7.638789 
1 1 1 9   7  9  o 170.8587 2.699883 3532.558       111.5837 3622.221       159.4952 3446.601       156.1639 172.9816 3.811056 168.7357 3.825352 4.245956       5.399765 
1 1 1 9   7  10 o 285.6414 3.854323 9887.618       266.3585 9941.887       377.7541 9833.957       375.6305 286.4209 5.451326 284.8620 5.450345 1.558868       7.708645 
1 1 1 9   7  11 o 133.4663 2.452579 2157.236       79.17442 2208.439       111.7846 2105.692       112.1553 135.0575 3.421063 131.8751 3.515238 3.182388       4.905158 
1 1 1 9   7  12 o 167.2890 3.223823 3478.772       112.5043 3568.917       130.5299 3218.323       221.8714 171.6910 3.142392 162.8870 5.630054 8.803986       6.447646 
1 1 1 9   7  13 o 200.9485 3.783774 4739.664       166.7148 4536.185       195.7709 5276.621       318.0229 193.4715 4.182433 208.4254 6.306746 -14.95399      7.567548 
1 1 1 9   7  14 o 76.66797 3.500459 720.8191       47.72995 724.3633       52.18432 702.6770       118.0658 77.34020 2.788897 75.99574 6.421441 1.344460       7.000918 
1 1 1 9   7  15 o 51.80065 4.072531 286.4771       37.01834 270.3473       39.82263 389.0541       100.4244 47.21341 3.486279 56.38789 7.361242 -9.174477      8.145061 
1 1 1 9   7  16 o 83.09868 3.291162 851.1552       50.81322 856.7845       56.22351 826.0559       118.7183 84.05122 2.764850 82.14613 5.973492 1.905098       6.582325 
1 1 1 9   7  17 o 113.3125 3.192112 1594.838       69.97212 1612.499       78.49142 1526.472       154.4314 115.2221 2.815686 111.4028 5.729767 3.819237       6.384224 
1 1 1 9   7  18 o 83.96797 3.428778 888.3303       54.84668 902.3877       61.32297 832.1238       122.6208 86.10484 2.943698 81.83110 6.193604 4.273735       6.857557 
1 1 1 9   7  19 o 71.22403 3.607421 569.2758       49.19976 534.3964       54.15965 733.9679       117.6868 66.08754 3.387302 76.36053 6.370253 -10.27299      7.214842 
1 1 1 9   7  20 o 22.80565 6.427005 31.48471       41.82677 17.59874       45.85516 100.2617       102.0520 17.05835 6.982411 28.55294 10.79220 -11.49459      12.85401 
1 1 1 9   9  0  f 531.7715 6.681372 34230.89       859.1816 34829.18       1238.174 33675.27       1193.206 536.2439 9.543704 527.2991 9.353107 8.944763       13.36274 
1 1 1 9   9  1  o 450.2976 5.727391 24549.36       623.9457 24627.08       886.2397 24472.98       878.5948 451.0031 8.122119 449.5921 8.077328 1.411011       11.45478 
1 1 1 9   9  2  o 661.4584 8.209657 53019.95       1313.798 53081.70       1860.450 52958.53       1855.543 661.8417 11.61881 661.0751 11.60160 0.7665405      16.41931 
1 1 1 9   9  3  o 210.3656 4.382302 5354.675       223.0382 0.000000       0.000000 5354.675       223.0382 ?        ?        210.3656 4.382302 ?              ?        
1 1 1 9   9  4  o 860.3761 10.60333 89734.49       2205.002 92127.67       3204.424 87582.23       3038.847 871.2195 15.20268 849.5327 14.78517 21.68683       21.20667 
1 1 1 9   9  5  o 643.8573 8.003794 50247.93       1246.616 50741.98       1780.158 49772.50       1746.293 646.9558 11.37317 640.7589 11.26472 6.196960       16.00759 
1 1 1 9   9  6  o 687.9905 8.536738 57429.59       1420.753 57994.50       2029.336 56886.52       1989.745 691.2974 12.13352 684.6837 12.01172 6.613647       17.07348 
1 1 1 9   9  7  o 173.4799 3.924578 3642.440       164.7193 0.000000       0.000000 3642.440       164.7193 ?        ?        173.4799 3.924578 ?              ?        
1 1 1 9   9  8  f 136.9185 2.979407 2288.826       94.45461 2338.007       118.2811 2202.260       156.9237 138.9829 3.517641 134.8540 4.809746 4.128876       5.958814 
1 1 1 9   9  9  o 413.5125 5.306928 20708.32       530.0221 20033.00       724.5432 21485.71       777.3710 406.3000 7.370807 420.7249 7.637089 -14.42480      10.61386 
1 1 1 9   9  10 o 136.6415 2.487323 2259.439       82.20671 2322.597       117.7533 2199.392       114.8179 138.5035 3.514069 134.7796 3.521139 3.723846       4.974646 
1 1 1 9   9  11 o 124.0990 2.459375 1864.826       73.84004 1875.199       104.5478 1854.501       104.3038 124.4435 3.472485 123.7544 3.483670 0.6891022      4.918750 
1 1 1 9   9  12 o 253.8616 4.326879 7830.646       251.3435 7803.688       432.0316 7844.437       309.0216 253.3819 7.047542 254.3413 5.021918 -0.9594574     8.653757 
1 1 1 9   9  13 o 39.56604 5.898542 190.7654       45.12983 188.5258       50.18211 200.2380       103.2037 39.41127 5.262912 39.72080 10.55807 -0.3095284     11.79708 
1 1 1 9   9  14 o 67.52620 3.861481 583.5060       46.78484 598.9235       51.56459 511.7192       111.2674 70.30574 3.031506 64.74667 7.103106 5.559074       7.722962 
1 1 1 9   9  15 o 42.16555 5.486107 209.7602       38.10089 204.8902       40.90753 241.6419       104.6667 41.06297 4.117661 43.26813 10.17027 -2.205154      10.97221 
1 1 1 9   9  16 o 132.6679 3.138243 2190.109       83.71258 2226.517       95.36322 2067.817       174.7746 135.4285 2.910507 129.9073 5.560866 5.521210       6.276487 
1 1 1 9   9  17 o 76.53624 3.628069 727.1514       50.92464 731.2592       56.16008 708.1499       120.7856 77.54218 2.993556 75.53030 6.609852 2.011879       7.256137 
1 1 1 9   9  18 o 75.56116 3.797180 729.5193       53.28344 743.2627       59.20201 670.9102       122.2566 78.07111 3.134323 73.05120 6.917394 5.019913       7.594361 
1 1 1 9   9  19 o 111.8164 3.227143 1442.008       72.69185 1362.500       81.56480 1748.959       160.2627 105.5104 3.195254 118.1225 5.607866 -12.61211      6.454286 
1 1 1 9   9  20 o 48.97340 5.616607 321.5169       50.50220 320.6544       56.33876 325.0446       113.9385 50.62271 4.600018 47.32409 10.24817 3.298626       11.23321 
1 1 1 9   11 0  o 464.6654 7.395352 24592.27       726.6642 29422.96       1492.225 23090.65       831.9752 492.6259 12.52030 436.7049 7.874446 55.92102       14.79070 
1 1 1 9   11 1  o 729.3961 11.06428 64754.00       1849.478 64080.91       3163.427 65103.55       2279.675 726.0801 18.00823 732.7121 12.85989 -6.631958      22.12856 
1 1 1 9   11 2  o 435.7175 5.569054 22988.10       587.0678 22989.68       830.8687 22986.53       829.6113 435.7321 7.881529 435.7029 7.870130 0.2929688E-01  11.13811 
1 1 1 9   11 3  o 762.1165 11.57996 70470.10       2007.319 70237.00       2450.193 70945.87       3500.502 760.8071 13.31139 763.4258 18.95227 -2.618713      23.15991 
1 1 1 9   11 4  o 328.1182 4.343900 13007.96       344.3245 12590.67       471.6667 13484.08       503.8185 322.4992 6.045111 333.7371 6.239752 -11.23782      8.687800 
1 1 1 9   11 5  o 138.2654 2.586838 2310.679       86.46479 2246.942       119.4074 2380.940       125.3698 136.2637 3.622001 140.2670 3.694325 -4.003235      5.173677 
1 1 1 9   11 6  o 601.5803 7.523077 43889.82       1093.373 42576.82       1498.724 45383.73       1598.632 592.0220 10.46361 611.1386 10.81201 -19.11658      15.04615 
1 1 1 9   11 7  o 274.9209 3.758529 9152.831       249.9404 9293.375       357.9850 9019.161       349.1200 276.9774 5.342175 272.8643 5.288415 4.113068       7.517058 
1 1 1 9   11 8  o 192.2001 3.627239 4527.382       160.3292 4648.871       199.4927 4305.771       269.4359 195.9329 4.208402 188.4672 5.909045 7.465729       7.254479 
1 1 1 9   11 9  o 221.2604 3.218801 5929.567       172.2778 5862.529       241.0139 5999.607       246.3488 219.9836 4.528449 222.5372 4.575572 -2.553574      6.437602 
1 1 1 9   11 10 o 42.90825 3.494588 222.0285       36.03372 261.0651       52.89258 188.2195       49.22374 46.41379 4.710266 39.40271 5.163524 7.011078       6.989176 
1 1 1 9   11 11 f 57.58869 3.132452 401.6859       43.15953 325.6589       59.48461 486.2006       62.71719 51.83020 4.743724 63.34719 4.092201 -11.51699      6.264904 
1 1 1 9   11 12 o 311.9831 4.182899 11820.79       315.7155 11764.00       444.2848 11878.72       448.7268 311.2294 5.900360 312.7368 5.930627 -1.507416      8.365799 
1 1 1 9   11 13 o 39.63802 4.356010 200.4228       38.99270 133.3415       55.37582 266.3925       54.91507 32.43624 7.239932 46.83981 4.845895 -14.40357      8.712021 
1 1 1 9   11 14 o 49.54509 3.403580 299.1956       40.14862 371.8605       58.19383 233.1926       55.46206 55.32309 4.347786 43.76709 5.237765 11.55601       6.807160 
1 1 1 9   11 15 o 67.21611 4.240013 564.1584       56.96442 572.8228       64.73893 534.4438       119.8896 68.62737 3.899113 65.80486 7.530454 2.822502       8.480025 
1 1 1 9   11 16 o 78.70024 3.666627 781.1928       54.26213 794.6276       60.44334 725.4016       123.1733 80.84624 3.090198 76.55424 6.650361 4.292000       7.333254 
1 1 1 9   11 17 o 35.31045 6.033579 153.0118       41.41223 149.2662       45.37623 171.6835       101.3115 34.76792 5.394453 35.85297 10.79427 -1.085049      12.06716 
1 1 1 9   11 18 o 56.53876 4.694482 403.8475       48.82951 404.1690       53.91273 402.3795       115.1939 57.37682 3.883761 55.70069 8.548043 1.676132       9.388964 
1 1 1 9   11 19 o 62.32771 4.362478 480.7159       51.77002 472.2583       57.49477 516.9542       119.0113 61.86166 3.841532 62.79377 7.833741 -0.9321175     8.724957 
1 1 1 9   11 20 o 31.05771 6.019277 158.2711       58.61203 217.9763       66.53796 -48.50684      123.8270 40.65829 6.764226 21.45713 9.958515 19.20115       12.03855 
1 1 1 9   13 0  o 347.5887 4.572517 14628.54       384.5198 14676.12       545.3397 14581.50       542.2595 348.1505 6.474376 347.0271 6.458646 1.123383       9.145035 
1 1 1 9   13 1  o 591.6726 7.395939 42455.01       1058.624 42147.43       1485.782 42772.16       1508.723 589.5024 10.41759 593.8429 10.50112 -4.340515      14.79188 
1 1 1 9   13 2  f 256.8070 3.606714 7982.961       224.0738 7935.940       314.7045 8031.310       319.1179 256.0408 5.080324 257.5732 5.120922 -1.532410      7.213428 
1 1 1 9   13 3  o 281.7932 3.862514 9604.211       263.1017 9367.068       363.0322 9866.568       381.8443 278.1368 5.394911 285.4495 5.529103 -7.312683      7.725028 
1 1 1 9   13 4  o 369.0382 4.817669 16488.40       429.7942 16109.76       593.6343 16905.52       623.0756 364.5985 6.729794 373.4779 6.895623 -8.879425      9.635338 
1 1 1 9   13 5  o 295.2556 3.994716 10544.27       285.0245 10218.66       391.7764 10910.38       415.4342 290.4271 5.575694 300.0840 5.722121 -9.656982      7.989432 
1 1 1 9   13 6  o 59.02377 4.266933 421.8613       60.93195 0.000000       0.000000 421.8613       60.93195 ?        ?        59.02377 4.266933 ?              ?        
1 1 1 9   13 7  o 541.4327 6.830140 35668.07       894.5032 36098.29       1281.130 35258.83       1249.500 544.5958 9.723369 538.2696 9.594757 6.326233       13.66028 
1 1 1 9   13 8  o 124.7958 3.087565 1866.111       88.08943 1948.840       153.4484 1825.446       107.5823 126.8088 5.001619 122.7827 3.621608 4.026093       6.175130 
1 1 1 9   13 9  o 214.9894 3.182251 5598.000       165.4794 5724.167       237.2793 5478.529       230.8978 217.3457 4.512387 212.6331 4.488348 4.712585       6.364503 
1 1 1 9   13 10 o 261.4033 3.649597 8285.268       230.7773 8186.272       322.9749 8388.535       329.8710 259.8112 5.138171 262.9953 5.184345 -3.184113      7.299194 
1 1 1 9   13 11 o 186.5619 2.965178 4218.103       133.8163 4180.396       187.2987 4257.417       191.2530 185.7126 4.168607 187.4112 4.218037 -1.698578      5.930356 
1 1 1 9   13 12 o 254.6443 3.589722 7872.091       221.0978 8015.540       317.1310 7736.423       308.4102 256.8954 5.102466 252.3932 5.050669 4.502197       7.179444 
1 1 1 9   13 13 o 62.67184 3.046013 477.3555       46.15351 496.2027       65.12573 458.3392       65.41708 63.92100 4.211208 61.42269 4.402101 2.498306       6.092025 
1 1 1 9   13 14 o 151.0737 2.709100 2769.329       98.92648 2894.703       143.6930 2656.363       136.3982 154.3151 3.848796 147.8323 3.813616 6.482834       5.418200 
1 1 1 9   13 15 o 128.5915 2.650359 2012.966       82.42760 2087.586       117.8786 1941.569       115.3045 130.9286 3.721329 126.2545 3.774828 4.674110       5.300719 
1 1 1 9   13 16 o 24.33488 5.628446 72.91843       38.60707 55.20359       59.15766 86.06052       50.95357 22.74594 8.286390 25.92382 7.619274 -3.177876      11.25689 
1 1 1 9   13 17 o 92.39213 3.448703 1062.280       63.63533 1068.653       72.15628 1039.976       134.9870 93.56847 3.187442 91.21578 6.116733 2.352692       6.897406 
1 1 1 9   13 18 o 33.76480 6.634788 106.0871       46.97109 71.02013       51.62759 274.5984       113.1741 23.63860 7.787036 43.89100 10.74447 -20.25239      13.26958 
1 1 1 9   13 19 o 20.31967 6.241780 20.02324       47.66206 31.91232       51.99506 -42.52231      119.2576 19.04246 7.560670 21.59688 9.933558 -2.554417      12.48356 
1 1 1 9   13 20 o 26.26568 7.728242 79.81941       76.09544 64.21178       91.49557 114.8364       137.0475 23.95361 9.840640 28.57774 11.91909 -4.624126      15.45648 
1 1 1 9   15 0  o 682.0308 8.523530 56637.11       1406.235 56227.01       1968.567 57064.45       2009.498 679.5400 11.97382 684.5217 12.13383 -4.981689      17.04706 
1 1 1 9   15 1  o 318.0255 4.255828 12244.83       327.2467 11962.20       453.1331 12552.91       473.1064 314.1985 5.961003 321.8523 6.075749 -7.653778      8.511656 
1 1 1 9   15 2  o 309.6160 4.175914 11608.80       312.6261 11399.58       433.3819 11835.78       451.4091 306.7155 5.840266 312.5164 5.970286 -5.800873      8.351828 
1 1 1 9   15 3  o 225.6103 3.315995 6159.940       180.9233 6333.645       260.4727 5998.007       251.4919 228.6801 4.707948 222.5405 4.671030 6.139557       6.631990 
1 1 1 9   15 4  o 183.0187 2.939509 4051.469       130.0763 3924.793       180.0951 4189.620       188.0757 180.0323 4.134749 186.0050 4.179320 -5.972687      5.879019 
1 1 1 9   15 5  o 304.8835 4.115879 11260.42       303.4260 11005.16       420.5718 11537.51       438.1883 301.2890 5.769718 308.4779 5.871303 -7.188873      8.231758 
1 1 1 9   15 6  o 325.5256 4.339166 12853.46       341.7288 12790.66       481.0954 12917.42       485.4896 324.7249 6.123692 326.3264 6.149297 -1.601471      8.678332 
1 1 1 9   15 7  o 78.23666 3.982032 741.3892       75.37328 0.000000       0.000000 741.3892       75.37328 ?        ?        78.23666 3.982032 ?              ?        
1 1 1 9   15 8  o 214.5602 3.208113 5576.381       166.4894 5697.519       238.8207 5461.846       232.2211 216.8248 4.552614 212.2957 4.521246 4.529083       6.416226 
1 1 1 9   15 9  o 39.13624 5.055101 197.8521       45.45090 292.7491       64.70118 105.4021       63.86160 49.12063 5.444349 29.15184 8.519111 19.96879       10.11020 
1 1 1 9   15 10 o 318.0077 4.271239 12287.91       328.6181 12313.16       465.6631 12262.86       463.8147 318.3317 6.046299 317.6837 6.034585 0.6480408      8.542479 
1 1 1 9   15 11 o 219.9411 3.266703 5867.389       173.7297 5728.196       240.8072 6018.475       250.8842 217.2294 4.581930 222.6527 4.657394 -5.423279      6.533407 
1 1 1 9   15 12 o 37.43099 5.006361 176.6546       43.95645 220.0686       62.35633 133.7727       61.97306 42.47442 6.068072 32.38757 7.964490 10.08686       10.01272 
1 1 1 9   15 13 f 162.2371 2.850512 3192.662       111.7311 3371.805       163.2763 3034.896       153.2255 166.5010 4.053254 157.9731 4.009089 8.527954       5.701023 
1 1 1 9   15 14 o 114.5774 2.735468 1593.278       75.67791 1730.021       110.8378 1473.857       103.5799 119.1702 3.844306 109.9845 3.892616 9.185722       5.470936 
1 1 1 9   15 15 o 20.09975 5.417645 22.49644       41.23233 -37.11276      61.00876 72.61699       55.94270 15.73378 7.187562 24.46572 8.108171 -8.731938      10.83529 
1 1 1 9   15 16 o 97.01708 2.846015 1140.655       66.40743 1309.512       100.2498 1008.625       88.64575 103.3451 4.009511 90.68911 4.040178 12.65594       5.692030 
1 1 1 9   15 17 o 40.26827 5.061696 210.1466       47.69177 213.0544       73.04052 207.9856       62.96762 40.01626 7.824786 40.52029 6.423067 -0.5040321     10.12339 
1 1 1 9   15 18 o 37.19000 6.907433 151.2266       50.58128 122.4767       55.31633 297.9179       124.9504 29.94363 7.617476 44.43637 11.52495 -14.49274      13.81487 
1 1 1 9   15 19 o 21.47935 6.671672 15.10258       52.40582 5.324323       57.85786 59.77395       123.6648 17.22969 7.479165 25.72901 11.05020 -8.499323      13.34334 
1 1 1 9   15 20 o 34.64777 8.352882 244.7459       89.40292 274.9554       106.5218 172.7543       164.4401 39.64731 10.80841 29.64823 12.73817 9.999083       16.70576 
1 1 1 9   17 0  o 172.7752 2.916788 3612.415       121.8713 3522.165       169.3404 3709.383       175.5301 170.5393 4.104251 175.0111 4.145566 -4.471786      5.833575 
1 1 1 9   17 1  o 294.9112 4.021049 10526.14       286.5693 10187.40       393.8824 10907.09       417.7065 289.8870 5.616109 299.9354 5.756271 -10.04843      8.042098 
1 1 1 9   17 2  o 283.7531 3.903368 9757.215       267.8947 9611.979       373.6086 9910.913       384.3401 281.5845 5.484104 285.9217 5.556053 -4.337158      7.806736 
1 1 1 9   17 3  o 84.98070 2.976321 873.1076       60.54382 710.1907       83.20879 1056.396       88.25790 76.56451 4.491997 93.39687 3.905881 -16.83236      5.952641 
1 1 1 9   17 4  o 217.5328 3.264976 5729.372       171.7498 5595.302       238.3899 5874.067       247.6570 214.8914 4.585288 220.1743 4.649236 -5.282959      6.529951 
1 1 1 9   17 5  o 285.6597 3.937979 9871.330       271.6823 9488.914       371.0594 10313.24       398.8811 279.7227 5.482938 291.5967 5.654035 -11.87399      7.875958 
1 1 1 9   17 6  o 301.4618 4.097638 11025.50       298.8343 10932.76       419.2775 11121.25       426.0345 300.1768 5.773273 302.7467 5.816518 -2.569824      8.195276 
1 1 1 9   17 7  o 231.2658 3.386568 6483.668       189.4691 6559.199       270.0534 6410.446       265.8945 232.5910 4.799042 229.9406 4.779599 2.650391       6.773136 
1 1 1 9   17 8  f 50.81846 4.172791 312.4485       50.24142 232.9906       68.28903 406.2072       74.18021 43.78230 6.446887 57.85462 5.299656 -14.07232      8.345581 
1 1 1 9   17 9  o 120.7715 2.775956 1767.992       81.09610 1753.208       113.4236 1783.453       115.9940 120.2569 3.898441 121.2861 3.952959 -1.029144      5.551912 
1 1 1 9   17 10 o 118.3294 2.742001 1698.745       78.48628 1736.526       111.1475 1661.168       110.8458 119.6451 3.839746 117.0137 3.915435 2.631371       5.484003 
1 1 1 9   17 11 o 241.8792 3.499056 7116.522       204.6705 7279.537       294.9156 6965.060       284.2732 244.5385 4.984806 239.2200 4.911749 5.318512       6.998112 
1 1 1 9   17 12 o 137.1094 2.802177 2282.764       92.84639 2439.479       134.3494 2139.493       128.4579 141.6136 3.921286 132.6052 4.004035 9.008408       5.604354 
1 1 1 9   17 13 o 88.77930 2.976389 951.8533       63.51799 1116.862       94.98650 818.3841       85.42789 95.68606 4.103089 81.87254 4.312799 13.81352       5.952778 
1 1 1 9   17 14 o 99.31971 2.900811 1201.740       69.54224 1273.246       102.7187 1141.229       94.49081 102.0214 4.161560 96.61801 4.042306 5.403397       5.801622 
1 1 1 9   17 15 o 51.07196 4.130355 324.3247       50.99394 343.1312       73.29698 306.6830       70.99094 52.52325 5.768092 49.62066 5.913411 2.902596       8.260710 
1 1 1 9   17 16 o 81.23733 3.142327 816.6302       61.55056 809.6664       90.61234 822.5961       83.86945 80.83858 4.633043 81.63607 4.246385 -0.7974854     6.284654 
1 1 1 9   17 17 o 50.87587 4.663751 334.4359       57.00436 325.4190       84.95538 341.8202       76.88074 50.04444 7.016697 51.70729 6.145587 -1.662857      9.327501 
1 1 1 9   17 18 o 23.58596 6.355331 57.14501       52.24488 111.9144       79.12842 14.81665       69.56318 27.89267 9.640213 19.27926 8.284157 8.613411       12.71066 
1 1 1 9   17 19 o 32.27557 8.552401 171.9031       79.16503 142.8499       89.93690 271.8620       166.8213 29.27349 10.26843 35.27765 13.67967 -6.004156      17.10480 
1 1 1 9   19 0  o 49.96017 4.409100 302.8188       53.28230 310.5784       76.24496 295.4123       74.49076 50.58559 6.229913 49.33475 6.240900 1.250835       8.818200 
1 1 1 9   19 1  o 322.2571 4.342384 12600.78       338.4859 12739.38       484.6745 12468.82       472.9246 323.9793 6.183447 320.5350 6.098375 3.444305       8.684768 
1 1 1 9   19 2  o 278.7730 3.874353 9422.735       261.2430 9580.253       374.5758 9273.550       364.5357 281.0365 5.509024 276.5095 5.449137 4.527069       7.748705 
1 1 1 9   19 3  o 256.0141 3.655416 7938.096       226.1970 7718.157       311.7138 8182.729       328.7471 252.2811 5.107038 259.7470 5.231293 -7.465958      7.310832 
1 1 1 9   19 4  o 117.4015 2.802104 1669.863       79.58833 1677.726       113.0432 1662.134       112.0729 117.6752 3.970609 117.1279 3.954922 0.5473557      5.604208 
1 1 1 9   19 5  o 112.1784 2.848088 1524.791       77.29343 1545.582       109.8752 1504.422       108.7523 112.9357 4.021296 111.4212 4.034303 1.514557       5.696176 
1 1 1 9   19 6  o 144.2218 2.858532 2513.511       99.58286 2381.164       136.2691 2665.195       145.8850 140.1616 4.018518 148.2821 4.066490 -8.120453      5.717065 
1 1 1 9   19 7  o 174.4709 2.979750 3690.885       125.7511 3644.592       175.6502 3739.558       180.1115 173.3518 4.188110 175.5901 4.239737 -2.238327      5.959499 
1 1 1 9   19 8  o 228.5663 3.387880 6344.125       187.3007 6473.476       268.4754 6221.471       261.4315 230.8318 4.807359 226.3008 4.774958 4.531067       6.775760 
1 1 1 9   19 9  o 54.52757 3.930611 362.2663       51.82808 377.5398       73.69486 347.3190       72.90348 55.67084 5.471509 53.38429 5.644591 2.286552       7.861222 
1 1 1 9   19 10 o 116.1205 2.813704 1638.108       79.01186 1707.919       113.3151 1572.049       110.2282 118.5306 3.951433 113.7104 4.006731 4.820259       5.627408 
1 1 1 9   19 11 o 154.1747 2.892867 2889.126       107.7449 3018.698       157.7265 2775.761       147.5325 157.3944 4.142029 150.9550 4.039594 6.439346       5.785734 
1 1 1 9   19 12 o 96.45758 2.926624 1136.400       68.27751 1127.016       97.50699 1145.427       95.63810 96.05424 4.195820 96.86091 4.081127 -0.8066635     5.853247 
1 1 1 9   19 13 o 65.22491 3.673806 522.0688       57.84761 565.2214       85.10625 485.0112       78.86729 67.71953 5.194518 62.73029 5.196576 4.989235       7.347613 
1 1 1 9   19 14 o 41.20623 5.785034 220.8582       56.60094 334.4164       84.00662 126.4485       76.59715 51.53643 6.737471 30.87603 9.406007 20.66040       11.57007 
1 1 1 9   19 15 o 97.00385 3.120405 1164.049       73.22559 1180.778       104.4015 1147.852       102.7319 97.68748 4.417387 96.32021 4.408447 1.367279       6.240810 
1 1 1 9   19 16 o 26.72718 6.595825 84.10909       56.80630 146.8705       80.96437 23.25821       79.72250 32.14460 9.643292 21.30976 9.001473 10.83484       13.19165 
1 1 1 9   19 17 o 68.37212 4.159251 604.6451       68.65990 650.9877       100.9831 564.8034       93.63255 70.78705 5.896475 65.95718 5.867628 4.829872       8.318502 
1 1 1 9   19 18 o 21.55628 6.455485 41.56281       59.00659 14.62866       83.27471 68.72222       83.62222 19.82725 8.777345 23.28531 9.468440 -3.458063      12.91097 
1 1 1 9   21 0  o 245.5357 3.571033 7310.888       212.0506 7177.198       294.8928 7454.030       305.1392 243.2182 5.011476 247.8531 5.088635 -4.634827      7.142066 
1 1 1 9   21 1  o 84.42061 3.253686 861.3019       66.33779 804.9677       90.79095 925.8234       97.16466 81.46937 4.606233 87.37186 4.596576 -5.902489      6.507372 
1 1 1 9   21 2  o 149.0470 2.926175 2692.282       105.4961 2768.493       150.6283 2618.906       147.7999 151.1180 4.119912 146.9759 4.156479 4.142120       5.852349 
1 1 1 9   21 3  o 201.5919 3.212358 4930.084       156.6742 4950.363       221.7660 4909.876       221.3760 202.0064 4.537613 201.1774 4.548301 0.8290710      6.424716 
1 1 1 9   21 4  o 178.9521 3.042470 3873.486       131.5267 4123.426       192.3021 3653.791       180.2920 184.3590 4.311389 173.5451 4.293999 10.81398       6.084941 
1 1 1 9   21 5  o 157.9988 2.917198 3021.683       111.3712 3219.459       162.0799 2844.771       153.2924 162.8860 4.112850 153.1115 4.138192 9.774551       5.834395 
1 1 1 9   21 6  o 195.7921 3.159410 4635.228       149.2991 4992.225       220.5299 4333.156       202.8572 202.7142 4.496566 188.8699 4.439412 13.84435       6.318820 
1 1 1 9   21 7  o 145.6867 3.629506 2635.444       120.0585 2740.771       148.0412 2433.076       205.2026 150.2032 4.073813 141.1702 6.008103 9.032959       7.259013 
1 1 1 9   21 8  o 91.59557 3.243135 1022.208       71.65308 1017.193       105.3517 1026.524       97.74126 91.36153 4.766239 91.82960 4.399395 -0.4680710     6.486271 
1 1 1 9   21 9  o 101.7680 3.060496 1260.228       75.27679 1318.239       109.5035 1208.252       103.6522 103.9796 4.352888 99.55627 4.303360 4.423370       6.120992 
1 1 1 9   21 10 o 51.11497 4.456372 322.7498       55.05887 319.9287       79.38561 325.3647       76.42855 50.87500 6.449634 51.35494 6.151360 -0.4799423     8.912744 
1 1 1 9   21 11 o 28.88261 6.332978 103.2336       51.57309 150.2370       72.32429 54.60745       73.56218 33.79130 8.770274 23.97392 9.138311 9.817379       12.66596 
1 1 1 9   21 12 o 72.74714 3.664855 654.5190       63.79214 784.6013       92.12009 534.6636       88.42476 79.81638 4.770457 65.67789 5.564836 14.13849       7.329710 
1 1 1 9   21 13 o 131.9408 2.973878 2141.945       94.86018 2178.956       137.2552 2108.101       131.2512 132.9980 4.265613 130.8835 4.144918 2.114548       5.947756 
1 1 1 9   21 14 o 60.63425 4.152787 464.2713       60.84977 494.1105       86.86992 435.5266       85.26176 62.60606 5.735229 58.66246 6.007472 3.943600       8.305574 
1 1 1 9   21 15 o 21.32555 6.309010 21.65955       56.54424 60.47308       78.26195 -20.72776      81.78564 23.80813 9.331410 18.84298 8.493479 4.965155       12.61802 
1 1 1 9   21 16 o 32.52896 7.091171 161.9126       63.23161 207.6372       89.70274 116.7539       89.14587 36.84554 9.866067 28.21238 10.18821 8.633158       14.18234 
1 1 1 9   21 17 o 21.62546 6.563660 39.82972       63.01447 70.67123       85.90884 3.910662       92.71124 23.35897 9.558815 19.89194 8.997531 3.467033       13.12732 
1 1 1 9   23 0  o 201.5388 3.210363 4934.242       156.5137 4887.773       219.1219 4982.645       223.6346 200.5750 4.515510 202.5026 4.564636 -1.927628      6.420727 
1 1 1 9   23 1  o 126.0190 2.900156 1927.968       88.40618 1979.599       125.7592 1877.524       124.3039 127.6902 4.070802 124.3477 4.131851 3.342522       5.800312 
1 1 1 9   23 2  o 90.11497 3.206285 987.0649       69.89594 987.7397       98.12901 986.3699       99.58259 90.14956 4.499161 90.08038 4.569313 0.6918335E-01  6.412571 
1 1 1 9   23 3  f 124.7084 2.878763 1885.844       86.77029 2002.191       125.5965 1779.604       120.0170 128.3851 4.043527 121.0317 4.098657 7.353493       5.757525 
1 1 1 9   23 4  f 133.2013 2.877225 2152.737       92.63124 2243.871       134.6956 2070.959       127.5935 135.8668 4.097676 130.5358 4.040142 5.331085       5.754450 
1 1 1 9   23 5  o 76.76209 3.387871 719.5284       62.76707 696.9171       91.09974 739.9626       86.60296 75.58826 4.981503 77.93592 4.592961 -2.347656      6.775741 
1 1 1 9   23 6  o 49.13319 4.636733 294.1461       54.79754 323.8964       83.15727 271.3124       72.85207 51.28950 6.701461 46.97689 6.409960 4.312607       9.273466 
1 1 1 9   23 7  o 151.7374 2.985744 2790.037       109.1439 3008.520       163.8385 2615.722       146.3444 157.0152 4.312926 146.4597 4.130054 10.55554       5.971488 
1 1 1 9   23 8  o 101.8680 3.085328 1266.183       75.90151 1307.833       111.3948 1230.089       103.6997 103.4065 4.452611 100.3296 4.272148 3.076889       6.170656 
1 1 1 9   23 9  o 64.00781 4.027305 510.3386       60.87164 651.2333       87.59315 378.7434       84.65310 72.78365 4.974323 55.23198 6.335050 17.55168       8.054610 
1 1 1 9   23 10 o 66.89797 4.064535 561.2773       64.98441 503.5796       96.31824 609.4857       88.04207 63.54985 6.264576 70.24610 5.180429 -6.696255      8.129069 
1 1 1 9   23 11 o 102.7827 3.165855 1295.813       78.49749 1437.384       115.4764 1174.197       107.0288 107.9997 4.419449 97.56562 4.534207 10.43410       6.331711 
1 1 1 9   23 12 o 66.90451 3.992327 561.9753       64.58695 565.1437       90.03384 558.6161       92.70417 67.14295 5.542466 66.66606 5.747675 0.4768906      7.984653 
1 1 1 9   23 13 o 27.65563 7.115499 96.88047       61.77564 114.8118       89.98250 80.89444       84.96146 29.20844 10.26961 26.10281 9.851719 3.105631       14.23100 
1 1 1 9   23 14 o 72.40599 3.971545 673.6021       69.40642 627.7333       98.67264 718.5217       97.64641 69.79192 5.843719 75.02007 5.379928 -5.228157      7.943090 
1 1 1 9   23 15 o 27.38213 7.421346 109.7709       68.92988 94.34777       95.11835 126.8280       100.0302 26.12065 10.27189 28.64360 10.71418 -2.522951      14.84269 
1 1 1 9   25 0  o 158.0429 2.991251 3044.196       114.3708 3060.991       162.5701 3027.738       160.9318 158.4717 4.240202 157.6142 4.220309 0.8575592      5.982502 
1 1 1 9   25 1  o 136.7290 2.960304 2278.074       97.88544 2300.308       140.7549 2257.251       136.2183 137.3627 4.235381 136.0953 4.137045 1.267456       5.920607 
1 1 1 9   25 2  o 70.98854 3.689619 617.8901       63.26625 578.7085       89.56327 656.9124       89.38097 68.71093 5.387680 73.26615 5.042425 -4.555222      7.379237 
1 1 1 9   25 3  o 48.97426 5.234220 310.9521       58.44709 241.2255       86.64533 369.1700       79.17256 43.18350 8.595490 54.76501 5.975430 -11.58151      10.46844 
1 1 1 9   25 4  o 50.80187 4.554410 322.9534       55.26801 280.1654       80.86714 360.4571       75.70912 47.49918 7.036937 54.10456 5.783783 -6.605381      9.108821 
1 1 1 9   25 5  o 163.8980 2.999927 3218.287       117.6460 3753.374       183.7124 2846.311       153.1736 175.1771 4.334697 152.6189 4.148330 22.55821       5.999854 
1 1 1 9   25 6  o 182.5076 3.112315 4033.777       136.5322 4504.478       208.0761 3677.886       180.9290 191.7054 4.486273 173.3099 4.315016 18.39542       6.224629 
1 1 1 9   25 7  o 77.62640 3.817010 733.7322       71.14578 846.1152       108.8429 649.8932       94.00972 82.72713 5.438131 72.52566 5.357705 10.20148       7.634020 
1 1 1 9   25 8  o 55.47810 5.263098 390.0067       70.01587 458.9153       101.0795 326.4478       97.07658 60.36015 6.921662 50.59604 7.930409 9.764103       10.52620 
1 1 1 9   25 9  o 96.21631 3.329088 1146.362       77.35925 1221.798       109.3224 1070.704       109.4828 99.46328 4.543015 92.96934 4.867476 6.493942       6.658175 
1 1 1 9   25 10 o 58.97116 4.418064 442.4906       62.68088 398.5451       89.79490 484.2535       87.53654 55.93251 6.635674 62.00982 5.834809 -6.077305      8.836128 
1 1 1 9   25 11 o 71.96373 4.208918 671.9280       70.76120 858.9572       99.76125 482.5545       100.3846 82.78403 4.980959 61.14343 6.786015 21.64060       8.417835 
1 1 1 9   25 12 o 43.37226 6.712300 270.5281       68.21298 285.1494       101.8886 258.6513       91.82920 44.24559 9.778460 42.49893 9.197914 1.746666       13.42460 
1 1 1 9   25 13 o 24.81568 6.899425 55.69356       65.86388 -19.60203      89.72135 143.6913       96.99444 19.22735 8.757386 30.40401 10.66379 -11.17666      13.79885 
1 1 1 9   25 14 o 23.76306 6.611008 20.01287       69.75311 177.2610       98.85905 -135.8857      98.43390 31.91693 10.78131 15.60918 7.654083 16.30775       13.22202 
1 1 1 9   27 0  o 74.26534 3.909066 678.4434       69.47231 825.7404       102.0111 551.0359       94.87408 81.85242 5.151260 66.67827 5.881133 15.17415       7.818133 
1 1 1 9   27 1  o 140.4570 4.337244 2419.055       147.3871 2419.055       147.3871 0.000000       0.000000 140.4570 4.337244 ?        ?        ?              ?        
1 1 1 9   27 2  o 59.18694 4.649707 437.6422       66.45442 436.4483       96.90230 438.7023       91.30845 59.05097 6.782732 59.32292 6.361890 -0.2719460     9.299414 
1 1 1 9   27 3  o 46.79682 5.737030 281.4432       63.40541 293.7846       94.25157 271.2408       85.69544 47.30988 8.549091 46.28376 7.652914 1.026123       11.47406 
1 1 1 9   27 4  o 36.53860 6.728270 175.5621       60.48174 229.4391       91.85104 134.3188       80.36358 41.28270 9.406111 31.79449 9.623074 9.488214       13.45654 
1 1 1 9   27 5  o 44.96204 5.874145 268.6407       61.08062 240.8415       94.39204 288.6666       80.11525 42.14558 9.486148 47.77851 6.930751 -5.632931      11.74829 
1 1 1 9   27 6  o 74.53078 3.919253 686.5198       70.01124 831.7290       104.3880 567.8008       94.38731 81.72933 5.279226 67.33223 5.794131 14.39710       7.838506 
1 1 1 9   27 7  o 105.5568 3.267725 1381.760       83.43969 1350.490       117.1102 1414.001       118.9135 104.3338 4.639462 106.7798 4.602987 -2.445992      6.535449 
1 1 1 9   27 8  o 38.18546 8.596644 217.9068       92.81597 150.0297       135.9195 277.2159       127.0519 33.26521 12.48010 43.10571 11.82609 -9.840500      17.19329 
1 1 1 9   27 9  o 21.46274 6.281306 -12.62604      63.08606 -139.7095      93.00554 95.67245       85.85695 15.69051 7.638747 27.23497 9.973404 -11.54446      12.56261 
1 1 1 9   27 10 o 103.1365 3.362778 1340.046       83.64092 1494.008       121.1200 1199.696       115.6423 108.9301 4.595851 97.34289 4.910322 11.58717       6.725557 
1 1 1 9   27 11 o 32.20535 7.880266 153.0196       77.55585 82.25882       101.2131 253.6585       120.7044 25.72808 10.43325 38.68261 11.81277 -12.95453      15.76053 
1 1 1 9   27 12 o 29.13165 8.313320 141.2771       96.21468 53.67044       143.6845 212.4926       129.5472 24.94315 11.24909 33.32014 12.24350 -8.376995      16.62664 
1 1 1 9   29 0  o 45.13441 6.287819 274.9418       66.98683 363.4517       96.88108 193.8665       92.72304 53.06558 7.546121 37.20323 10.05996 15.86235       12.57564 
1 1 1 9   29 1  o 32.04915 7.327075 141.0020       64.71413 137.9740       95.23869 143.5993       88.20471 31.81954 10.58096 32.27876 10.13842 -0.4592190     14.65415 
1 1 1 9   29 2  o 41.53273 10.92754 248.0667       111.2858 0.000000       0.000000 248.0667       111.2858 ?        ?        41.53273 10.92754 ?              ?        
1 1 1 9   29 3  o 28.33244 7.547946 84.86881       79.04265 -36.25223      128.1142 159.3099       100.4371 23.08970 10.49648 33.57518 10.84942 -10.48549      15.09589 
1 1 1 9   29 4  o 27.06904 7.694991 51.19410       77.82691 144.0809       126.0139 -6.084474      98.95499 32.51546 12.05241 21.62261 9.570316 10.89285       15.38998 
1 1 1 9   29 5  o 29.99814 10.40235 124.3308       92.17137 0.000000       0.000000 124.3308       92.17137 ?        ?        29.99814 10.40235 ?              ?        
1 1 1 10  0  1  o 449.8393 5.715325 24527.69       879.0211 24527.69       879.0211 24527.69       879.0211 449.8393 8.082690 449.8393 8.082690 0.000000       0.000000 
1 1 1 10  0  2  o 68.32840 1.883680 567.4053       43.88579 567.4053       43.88579 567.4053       43.88579 68.32840 2.663926 68.32840 2.663926 0.000000       0.000000 
1 1 1 10  0  3  o 320.7184 4.214055 12461.69       462.0649 12461.69       462.0649 12461.69       462.0649 320.7184 5.959574 320.7184 5.959574 0.000000       0.000000 
1 1 1 10  0  4  o 245.0518 3.383426 7274.287       283.4381 7274.287       283.4381 7274.287       283.4381 245.0518 4.784887 245.0518 4.784887 0.000000       0.000000 
1 1 1 10  0  5  o 458.8966 5.804389 25512.46       910.6998 25512.46       910.6998 25512.46       910.6998 458.8966 8.208646 458.8966 8.208646 0.000000       0.000000 
1 1 1 10  0  6  o 96.27326 2.066726 1124.361       67.93583 1124.361       67.93583 1124.361       67.93583 96.27326 2.922792 96.27326 2.922792 0.000000       0.000000 
1 1 1 10  0  7  o 63.13533 2.070349 485.3224       44.50414 485.3224       44.50414 485.3224       44.50414 63.13533 2.927916 63.13533 2.927916 0.000000       0.000000 
1 1 1 10  0  8  f 661.1048 8.211176 52984.24       1856.055 52984.24       1856.055 52984.24       1856.055 661.1048 11.61236 661.1048 11.61236 0.000000       0.000000 
1 1 1 10  0  9  o 54.03062 2.335597 357.1457       42.80760 357.1457       42.80760 357.1457       42.80760 54.03062 3.303033 54.03062 3.303033 0.000000       0.000000 
1 1 1 10  0  10 o 143.6728 2.449940 2502.075       120.2753 2502.075       120.2753 2502.075       120.2753 143.6728 3.464738 143.6728 3.464738 0.000000       0.000000 
1 1 1 10  0  11 o 219.2749 3.138081 5827.006       235.2170 5827.006       235.2170 5827.006       235.2170 219.2749 4.437917 219.2749 4.437917 0.000000       0.000000 
1 1 1 10  0  12 o 23.72295 4.783288 82.80894       33.64568 82.80894       33.64568 82.80894       33.64568 23.72295 6.764591 23.72295 6.764591 0.000000       0.000000 
1 1 1 10  0  13 o 239.1927 3.365356 6936.139       275.1745 6936.139       275.1745 6936.139       275.1745 239.1927 4.759333 239.1927 4.759333 0.000000       0.000000 
1 1 1 10  0  14 f 265.0556 3.647535 8520.673       330.5084 8520.673       330.5084 8520.673       330.5084 265.0556 5.158393 265.0556 5.158393 0.000000       0.000000 
1 1 1 10  0  15 o 90.78448 2.374737 1001.989       73.53493 1001.989       73.53493 1001.989       73.53493 90.78448 3.358385 90.78448 3.358385 0.000000       0.000000 
1 1 1 10  0  16 o 15.50124 5.726003 42.55705       39.79699 42.55705       39.79699 42.55705       39.79699 15.50124 8.097792 15.50124 8.097792 0.000000       0.000000 
1 1 1 10  0  17 o 88.65974 2.422771 957.3697       73.24549 957.3697       73.24549 957.3697       73.24549 88.65974 3.426316 88.65974 3.426316 0.000000       0.000000 
1 1 1 10  0  18 o 73.00677 2.604756 652.2469       64.68703 652.2469       64.68703 652.2469       64.68703 73.00677 3.683681 73.00677 3.683681 0.000000       0.000000 
1 1 1 10  0  19 o 72.51672 2.773947 645.7242       68.36591 645.7242       68.36591 645.7242       68.36591 72.51672 3.922953 72.51672 3.922953 0.000000       0.000000 
1 1 1 10  0  20 f 10.57814 5.020582 -17.65057      51.19324 -17.65057      51.19324 -17.65057      51.19324 10.57814 7.100174 10.57814 7.100174 0.000000       0.000000 
1 1 1 10  2  0  o 349.7359 4.539271 14785.46       383.5022 15344.98       561.4207 14295.98       525.1066 355.9192 6.519807 343.5526 6.317597 12.36658       9.078542 
1 1 1 10  2  1  o 418.7941 5.354734 21251.87       542.4911 21103.14       760.5474 21405.92       774.0269 417.3065 7.533015 420.2817 7.612254 -2.975189      10.70947 
1 1 1 10  2  2  o 624.6951 9.551152 47351.36       1355.960 47147.91       1653.438 47769.19       2369.557 623.2130 10.96603 626.1772 15.64111 -2.964294      19.10230 
1 1 1 10  2  3  o 489.6182 7.083875 29360.02       737.6649 29682.21       861.0381 28471.15       1430.168 495.0217 7.189452 484.2147 12.20807 10.80707       14.16775 
1 1 1 10  2  4  o 378.7793 5.655066 17203.03       442.3812 17044.48       506.1931 17715.65       910.1774 375.2483 5.575646 382.3102 9.840287 -7.061920      11.31013 
1 1 1 10  2  5  o 224.7248 3.696012 5916.234       168.0022 5763.500       189.7631 6469.958       361.3176 218.2552 3.593726 231.1945 6.459657 -12.93929      7.392025 
1 1 1 10  2  6  f 740.6932 10.59736 66333.70       1635.320 66115.17       1881.838 67007.73       3304.947 738.7567 10.52879 742.6298 18.39458 -3.873108      21.19471 
1 1 1 10  2  7  o 423.3070 6.125466 22269.81       566.3474 23085.48       676.4017 20356.93       1035.839 436.7195 6.401766 409.8945 10.44523 26.82501       12.25093 
1 1 1 10  2  8  o 261.7003 4.134302 8249.897       225.1310 8211.674       258.7923 8368.828       456.4913 260.5023 4.106175 262.8984 7.176987 -2.396179      8.268604 
1 1 1 10  2  9  o 438.0201 6.425001 23368.71       593.0193 23471.76       687.6226 23069.60       1171.526 440.1977 6.456544 435.8425 11.11016 4.355194       12.85000 
1 1 1 10  2  10 o 381.3705 5.698397 17567.11       451.8011 17488.92       519.2386 17810.83       916.7374 379.9357 5.648779 382.8053 9.898395 -2.869598      11.39679 
1 1 1 10  2  11 f 182.3105 3.257032 3983.340       122.0379 3945.796       139.3270 4107.079       252.9415 180.5479 3.189632 184.0732 5.679725 -3.525284      6.514064 
1 1 1 10  2  12 o 188.6134 3.323231 4403.429       133.0262 4509.170       155.6266 4116.597       256.3154 192.9868 3.333144 184.2401 5.750269 8.746674       6.646461 
1 1 1 10  2  13 o 226.3409 3.776989 6129.468       175.5965 6056.261       200.3147 6372.397       364.9029 223.6131 3.702656 229.0687 6.584294 -5.455673      7.553978 
1 1 1 10  2  14 f 128.4828 2.900849 2001.085       76.23708 2001.414       87.06279 2000.000       157.8621 128.5704 2.798912 128.3952 5.081908 0.1752167      5.801698 
1 1 1 10  2  15 o 112.0330 2.380104 1519.459       64.47520 1467.197       89.38359 1576.150       93.09288 110.0275 3.357796 114.0386 3.374134 -4.011108      4.760208 
1 1 1 10  2  16 o 244.9396 3.441752 7297.014       203.8750 7159.412       283.4409 7444.522       293.4658 242.5597 4.829939 247.3196 4.904521 -4.759888      6.883504 
1 1 1 10  2  17 o 79.29642 2.473932 763.8753       47.43996 744.1878       65.88136 785.0771       68.36818 78.23819 3.480499 80.35465 3.516743 -2.116463      4.947864 
1 1 1 10  2  18 o 19.43605 4.972841 34.57423       31.67638 63.02400       45.44411 7.688754       44.17709 22.68444 7.294536 16.18766 6.760646 6.496786       9.945682 
1 1 1 10  2  19 o 77.59790 2.677049 735.2656       50.03814 836.3486       72.71191 644.3298       68.96583 82.68713 3.634673 72.50867 3.931350 10.17846       5.354097 
1 1 1 10  2  20 o 48.53384 3.659887 292.4312       42.15058 376.2007       62.31952 221.7965       57.22556 55.04397 4.679636 42.02372 5.628507 13.02025       7.319774 
1 1 1 10  4  0  o 519.3881 6.532434 32304.26       812.6269 30009.23       1062.612 35537.21       1261.190 497.5033 8.828287 541.2728 9.630792 -43.76947      13.06487 
1 1 1 10  4  1  o 269.0604 3.647711 8759.825       237.3761 8608.669       330.7031 8920.476       340.9316 266.6685 5.125832 271.4523 5.191244 -4.783844      7.295421 
1 1 1 10  4  2  o 333.6882 4.360238 13481.05       351.9763 13609.34       501.9334 13356.93       493.7077 335.2487 6.188375 332.1277 6.144160 3.121033       8.720475 
1 1 1 10  4  3  o 324.5964 4.263390 12742.97       334.5797 13081.49       484.2670 12433.81       462.7971 328.7143 6.089253 320.4785 5.968834 8.235779       8.526780 
1 1 1 10  4  4  o 261.5430 3.570387 8274.957       225.8597 8417.895       324.1323 8140.051       314.8956 263.7368 5.079831 259.3492 5.018563 4.387665       7.140775 
1 1 1 10  4  5  o 338.6691 4.426641 13877.50       362.6198 13680.94       506.2401 14084.62       519.6672 336.2081 6.223663 341.1301 6.296556 -4.921997      8.853282 
1 1 1 10  4  6  o 733.5929 9.070480 65216.75       1609.316 64250.28       2241.197 66245.52       2312.302 727.9973 12.72471 739.1885 12.92966 -11.19122      18.14096 
1 1 1 10  4  7  o 326.3033 4.933678 13001.15       341.0320 13122.62       396.9960 12659.13       666.1782 329.2979 4.983045 323.3087 8.516687 5.989258       9.867355 
1 1 1 10  4  8  o 428.5163 6.340471 22018.39       560.2205 21808.73       640.5268 22700.77       1155.569 424.4172 6.237951 432.6153 11.04057 -8.198090      12.68094 
1 1 1 10  4  9  o 200.1009 3.420431 4939.298       145.4909 5043.940       170.2182 4655.562       280.2916 204.1516 3.446283 196.0502 5.909359 8.101318       6.840862 
1 1 1 10  4  10 o 71.54902 2.750138 578.4135       42.89743 530.4869       49.81150 716.0024       84.39816 66.20504 3.109828 76.89300 4.536740 -10.68796      5.500276 
1 1 1 10  4  11 o 258.3839 4.120131 8148.089       223.7233 8203.683       259.2100 7985.723       442.9826 260.2694 4.116483 256.4984 7.138380 3.770996       8.240261 
1 1 1 10  4  12 o 163.6280 3.127273 3210.324       104.3317 3182.017       118.7153 3306.365       218.6706 162.1275 3.026548 165.1284 5.473514 -3.000916      6.254546 
1 1 1 10  4  13 o 296.9265 4.604694 10888.42       291.5842 11099.06       341.6575 10323.62       559.4576 302.5922 4.666926 291.2609 7.939309 11.33127       9.209388 
1 1 1 10  4  14 o 192.6206 3.449552 4547.809       138.2072 4593.687       159.4589 4409.280       277.0883 194.7359 3.384547 190.5053 6.011861 4.230576       6.899104 
1 1 1 10  4  15 o 141.0310 3.046469 2429.157       87.11381 2441.816       99.24790 2386.675       181.8136 141.9675 2.889549 140.0944 5.364179 1.873138       6.092939 
1 1 1 10  4  16 f 59.79942 3.764232 455.0123       40.36452 465.0255       44.43377 407.7335       96.55211 61.92566 2.965789 57.67318 6.919672 4.252476       7.528464 
1 1 1 10  4  17 o 80.49236 3.198586 731.5435       49.06360 697.6349       54.04271 890.5414       117.0249 75.79455 2.947113 85.19016 5.677882 -9.395615      6.397172 
1 1 1 10  4  18 o 89.91614 2.532577 982.3516       54.96501 895.8080       75.38799 1080.564       80.30978 85.69291 3.636261 94.13936 3.526102 -8.446449      5.065154 
1 1 1 10  4  19 o 26.01562 5.437853 86.44391       36.93152 107.5116       54.37151 68.39792       50.32142 28.56645 7.694689 23.46478 7.685880 5.101667       10.87571 
1 1 1 10  4  20 o 18.46948 5.281388 22.54975       37.13844 4.445875       55.17710 37.54452       50.21610 17.28480 7.401183 19.65416 7.536227 -2.369360      10.56278 
1 1 1 10  6  0  o 431.6065 5.492625 22543.45       573.0865 23118.38       830.8224 22021.61       791.5375 436.8432 7.861044 426.3697 7.673312 10.47351       10.98525 
1 1 1 10  6  1  o 318.1547 4.199039 12245.40       323.0407 12511.09       466.1889 11999.99       448.0481 321.4698 5.994038 314.8395 5.882109 6.630280       8.398077 
1 1 1 10  6  2  o 408.2095 5.220220 20122.82       514.4550 21005.53       758.0450 19369.12       700.4605 416.4771 7.523183 399.9420 7.239097 16.53510       10.44044 
1 1 1 10  6  3  o 458.6614 5.804844 25467.35       643.9628 25126.60       897.8975 25828.25       924.0682 455.5071 8.147593 461.8156 8.270525 -6.308502      11.60969 
1 1 1 10  6  4  o 210.3074 4.335121 5351.707       220.5759 5351.707       220.5759 0.000000       0.000000 210.3074 4.335121 ?        ?        ?              ?        
1 1 1 10  6  5  o 453.7645 5.753253 24928.18       631.5851 24783.49       888.7883 25075.78       897.6703 452.4352 8.119693 455.0937 8.152929 -2.658508      11.50651 
1 1 1 10  6  6  o 239.4177 4.749492 6936.379       275.1096 0.000000       0.000000 6936.379       275.1096 ?        ?        239.4177 4.749492 ?              ?        
1 1 1 10  6  7  o 162.7271 3.730479 3204.087       146.8678 0.000000       0.000000 3204.087       146.8678 ?        ?        162.7271 3.730479 ?              ?        
1 1 1 10  6  8  o 430.7487 5.487786 22484.38       571.8757 22351.42       803.9180 22620.59       813.6791 429.4620 7.737216 432.0354 7.784515 -2.573395      10.97557 
1 1 1 10  6  9  o 99.18912 2.213963 1188.080       53.07141 1129.324       73.07681 1253.656       77.20157 96.59982 3.126806 101.7784 3.135221 -5.178589      4.427926 
1 1 1 10  6  10 f 164.2529 3.091999 3238.579       104.3892 3213.229       119.2277 3321.832       216.0653 162.9362 3.024526 165.5696 5.393891 -2.633392      6.183997 
1 1 1 10  6  11 o 333.2086 5.087250 13439.38       352.5666 13399.41       405.4417 13563.36       714.0142 332.5123 5.039858 333.9048 8.838567 -1.392548      10.17450 
1 1 1 10  6  12 o 359.0259 5.420464 15723.88       408.6383 15778.78       472.9365 15562.17       811.7328 360.7118 5.419262 357.3400 9.389214 3.371826       10.84093 
1 1 1 10  6  13 o 139.4042 3.023849 2379.044       86.16109 2400.225       98.58364 2310.530       177.3065 140.8011 2.893986 138.0072 5.310318 2.793945       6.047697 
1 1 1 10  6  14 o 248.5040 4.328649 7360.885       238.9537 7146.194       284.1142 7879.833       441.7212 242.6689 4.839232 254.3392 7.178483 -11.67026      8.657297 
1 1 1 10  6  15 o 135.0420 2.855099 2209.741       93.28085 2209.741       93.28085 0.000000       0.000000 135.0420 2.855099 ?        ?        ?              ?        
1 1 1 10  6  16 o 106.8177 2.968110 1297.949       61.00556 1243.895       67.45547 1540.750       142.9631 101.2799 2.752906 112.3554 5.259298 -11.07543      5.936220 
1 1 1 10  6  17 o 43.33683 5.313749 226.2699       39.34169 221.1767       42.66395 255.2052       101.6893 42.57769 4.141681 44.09598 9.787247 -1.518288      10.62750 
1 1 1 10  6  18 o 121.4279 3.163648 1796.151       75.35358 1787.366       84.60329 1829.863       165.7394 121.2030 2.885171 121.6528 5.631205 -0.4498291     6.327297 
1 1 1 10  6  19 o 40.30045 5.683790 171.4118       42.36256 149.8394       46.10320 288.3998       107.3625 34.68398 5.494142 45.91692 9.951696 -11.23294      11.36758 
1 1 1 10  6  20 o 65.57942 4.585636 579.3407       62.66216 614.7393       73.73711 487.3290       118.8816 70.37885 4.330536 60.77999 8.084471 9.598850       9.171271 
1 1 1 10  8  0  o 601.3516 7.500052 43821.22       1091.135 44094.52       1551.369 43553.68       1534.958 603.2046 10.63036 599.4986 10.58293 3.705994       15.00010 
1 1 1 10  8  1  o 1032.509 15.48030 131099.5       3706.271 134322.5       4655.313 125520.5       6124.900 1051.111 18.30620 1013.908 24.96883 37.20300       30.96061 
1 1 1 10  8  2  o 324.0434 4.277404 12708.52       335.3394 12741.31       474.9169 12675.92       473.5691 324.4602 6.049978 323.6266 6.048348 0.8336182      8.554809 
1 1 1 10  8  3  o 568.4864 7.114312 39108.49       977.7156 38260.40       1350.880 40041.47       1416.877 562.0295 9.934716 574.9433 10.18603 -12.91382      14.22862 
1 1 1 10  8  4  o 248.4917 3.466332 7469.704       208.3529 7586.558       298.2855 7358.369       291.1548 250.3885 4.923970 246.5949 4.880200 3.793625       6.932664 
1 1 1 10  8  5  o 248.4266 3.469253 7439.042       207.9846 7872.533       307.8385 7074.979       282.1118 255.0574 4.988647 241.7958 4.822477 13.26164       6.938507 
1 1 1 10  8  6  o 484.6213 6.115756 28400.59       716.0756 27564.91       982.1832 29348.78       1046.215 477.0353 8.510199 492.2073 8.785580 -15.17203      12.23151 
1 1 1 10  8  7  o 368.8998 4.787433 16471.33       427.0190 16153.10       591.5900 16817.48       617.0034 365.1879 6.695795 372.6118 6.844295 -7.423889      9.574865 
1 1 1 10  8  8  o 328.3974 4.321991 13061.15       343.2888 12858.40       478.5276 13276.13       492.7520 325.7762 6.071352 331.0186 6.152813 -5.242462      8.643983 
1 1 1 10  8  9  o 367.5326 5.828998 16519.82       494.2758 16002.38       828.8830 16805.36       615.7281 362.8202 9.442773 372.2450 6.836877 -9.424835      11.65800 
1 1 1 10  8  10 o 163.1905 3.212375 3267.192       121.2622 3373.833       152.1488 3081.499       200.7712 166.9231 3.767469 159.4579 5.204191 7.465240       6.424751 
1 1 1 10  8  11 o 17.61298 4.626439 28.75407       26.26368 27.11397       38.36992 30.19988       36.02572 17.57489 6.623586 17.65107 6.460948 -0.7618141E-01 9.252877 
1 1 1 10  8  12 o 338.5335 5.461729 14064.13       426.2485 14360.51       531.1004 13527.66       714.5233 343.8889 6.383461 333.1780 8.864162 10.71088       10.92346 
1 1 1 10  8  13 o 161.6709 3.241481 3301.130       109.8656 3447.231       128.4534 2903.034       212.0382 168.7141 3.146965 154.6277 5.667929 14.08633       6.482963 
1 1 1 10  8  14 o 238.4673 4.834533 6932.250       278.8110 6914.932       388.5928 6950.625       400.2627 238.1855 6.743371 238.7491 6.929486 -0.5635986     9.669065 
1 1 1 10  8  15 o 146.4846 3.362999 2560.604       108.0642 2495.171       127.4316 2728.138       203.9073 143.3806 3.673537 149.5886 5.634197 -6.207993      6.725998 
1 1 1 10  8  16 o 115.1295 3.069419 1558.395       68.49778 1521.763       76.22560 1712.076       156.1275 111.9850 2.813446 118.2739 5.456176 -6.288826      6.138838 
1 1 1 10  8  17 o 34.42553 5.988788 142.8269       37.52690 140.2196       40.32756 159.6669       102.4878 33.81032 4.930040 35.04074 10.91591 -1.230423      11.97758 
1 1 1 10  8  18 o 68.95494 3.624368 520.0133       48.06908 481.4097       52.85759 704.5806       115.5768 62.78416 3.479805 75.12573 6.358863 -12.34158      7.248736 
1 1 1 10  8  19 o 62.50817 4.861883 470.6387       71.22383 393.3373       88.30825 614.5152       120.4766 55.70655 6.552284 69.30980 7.184650 -13.60325      9.723765 
1 1 1 10  8  20 o 40.32533 6.130287 268.1638       49.11652 299.2641       54.84479 142.1773       110.3863 48.92126 4.633780 31.72939 11.35120 17.19187       12.26057 
1 1 1 10  10 0  o 179.2233 2.851282 3885.536       123.6187 3950.644       176.4734 3822.808       173.2185 180.6971 4.036695 177.7496 4.027943 2.947464       5.702563 
1 1 1 10  10 1  o 266.3698 3.668804 8528.998       235.3704 9175.997       353.9257 8015.956       315.1642 275.3645 5.312535 257.3751 5.061369 17.98935       7.337607 
1 1 1 10  10 2  f 270.4482 3.727861 8850.096       243.8974 8944.854       347.7894 8758.398       342.1263 271.8722 5.287486 269.0243 5.256452 2.847900       7.455722 
1 1 1 10  10 3  o 729.8535 12.77199 64598.97       2255.259 0.000000       0.000000 64598.97       2255.259 ?        ?        729.8535 12.77199 ?              ?        
1 1 1 10  10 4  o 801.6106 9.915728 77951.95       1922.021 79382.10       2772.771 76629.18       2666.633 808.6541 14.17258 794.5670 13.87172 14.08710       19.83146 
1 1 1 10  10 5  o 246.1422 4.912701 7332.823       292.5558 7332.823       292.5558 0.000000       0.000000 246.1422 4.912701 ?        ?        ?              ?        
1 1 1 10  10 6  o 576.3325 8.788521 40752.85       1173.591 39036.29       1943.549 41737.93       1472.315 566.2679 14.18637 586.3971 10.37783 -20.12915      17.57704 
1 1 1 10  10 7  o 324.7695 5.268309 12825.02       391.3529 12897.94       481.4105 12682.93       672.0101 326.2646 6.098785 323.2744 8.592156 2.990234       10.53662 
1 1 1 10  10 8  o 228.2860 3.274475 6284.488       180.3653 5956.294       244.3553 6677.333       267.3420 221.7706 4.554235 234.8014 4.706134 -13.03076      6.548951 
1 1 1 10  10 9  o 183.7094 2.857420 4079.243       126.8522 3931.842       174.3060 4245.215       184.9600 180.1900 3.998337 187.2287 4.083222 -7.038773      5.714841 
1 1 1 10  10 10 o 235.2307 3.348760 6704.318       190.5662 6780.054       271.6067 6630.885       267.4440 236.5381 4.746101 233.9233 4.725601 2.614777       6.697520 
1 1 1 10  10 11 o 108.6518 2.427587 1428.546       63.79110 1387.969       88.83212 1471.750       91.66296 107.0600 3.429577 110.2436 3.436673 -3.183617      4.855175 
1 1 1 10  10 12 o 253.6683 3.553776 7804.836       218.0996 7845.956       309.0970 7764.064       307.7860 254.3340 5.023287 253.0025 5.028306 1.331451       7.107551 
1 1 1 10  10 13 o 158.4915 2.723158 3045.483       104.4070 3089.682       147.3534 3000.921       147.9561 159.6496 3.814961 157.3334 3.886957 2.316193       5.446317 
1 1 1 10  10 14 o 142.9129 3.158939 2424.650       90.06539 2382.636       101.3930 2581.797       196.0918 140.2111 2.988982 145.6148 5.566109 -5.403671      6.317878 
1 1 1 10  10 15 o 96.06287 3.211591 1092.378       59.02227 1073.094       65.48596 1175.848       136.2464 94.05868 2.877710 98.06706 5.742478 -4.008385      6.423182 
1 1 1 10  10 16 o 85.50841 3.335355 851.4815       54.08126 826.7719       59.69910 964.5449       127.7015 82.49082 2.991299 88.52600 5.962425 -6.035179      6.670711 
1 1 1 10  10 17 o 28.62309 6.334097 100.1181       39.30258 101.6572       42.42540 90.80310       104.3731 28.06989 6.390484 29.17628 10.93823 -1.106384      12.66819 
1 1 1 10  10 18 o 22.89484 6.099791 57.42089       40.31282 68.97845       43.70087 -8.565140      104.4198 23.23411 7.110005 22.55558 9.913506 0.6785316      12.19958 
1 1 1 10  10 19 o 115.1039 3.303117 1589.710       75.59892 1546.765       84.92169 1753.718       165.9573 112.3678 3.123738 117.8401 5.821047 -5.472305      6.606234 
1 1 1 10  10 20 o 25.00245 6.894958 63.54170       47.54165 56.33707       51.88111 101.2850       118.7471 21.49465 7.770791 28.51025 11.39195 -7.015604      13.78992 
1 1 1 10  12 0  o 485.0994 6.149714 28418.18       719.9964 27342.14       978.0475 29691.19       1063.807 475.1191 8.508541 495.0798 8.881480 -19.96066      12.29943 
1 1 1 10  12 1  o 624.2643 7.779555 47246.12       1174.965 47298.05       1663.244 47194.38       1660.064 624.6062 11.00645 623.9224 10.99745 0.6838379      15.55911 
1 1 1 10  12 2  o 599.4059 7.487351 43554.60       1085.737 43868.68       1545.927 43248.89       1525.210 601.5339 10.62250 597.2778 10.55482 4.256104       14.97470 
1 1 1 10  12 3  o 341.6680 4.506368 14126.07       372.3259 13852.90       516.8978 14420.62       536.7605 338.2403 6.316507 345.0957 6.428930 -6.855377      9.012735 
1 1 1 10  12 4  o 514.9594 6.490351 32151.14       808.3762 31705.88       1126.768 32623.38       1160.407 511.2971 9.108751 518.6216 9.248204 -7.324493      12.98070 
1 1 1 10  12 5  o 172.4493 2.820673 3598.657       117.6596 3701.820       167.9019 3499.115       164.9295 174.8776 3.968433 170.0211 4.009528 4.856537       5.641346 
1 1 1 10  12 6  o 236.5382 3.378302 6755.364       192.9611 6457.890       263.1184 7101.523       283.8340 230.9249 4.709536 242.1516 4.844789 -11.22667      6.756605 
1 1 1 10  12 7  o 156.4080 3.776458 2961.792       142.9045 0.000000       0.000000 2961.792       142.9045 ?        ?        156.4080 3.776458 ?              ?        
1 1 1 10  12 8  o 117.5835 4.834060 1675.193       137.5183 1675.193       137.5183 0.000000       0.000000 117.5835 4.834060 ?        ?        ?              ?        
1 1 1 10  12 9  o 361.8938 4.731739 15898.62       414.2888 15880.13       585.1357 15917.20       586.6530 361.6838 6.686907 362.1038 6.696468 -0.4200439     9.463478 
1 1 1 10  12 10 o 170.0712 2.803361 3502.733       115.3309 3576.590       164.7551 3431.767       161.4988 171.8287 3.963152 168.3138 3.965950 3.514954       5.606723 
1 1 1 10  12 11 o 173.0918 2.837758 3630.346       118.8350 3640.428       168.7086 3620.418       167.4152 173.3296 4.023112 172.8540 4.003253 0.4755707      5.675515 
1 1 1 10  12 12 o 224.2495 3.286789 6096.649       178.2429 5955.633       247.5934 6248.355       256.8061 221.5638 4.618893 226.9351 4.677365 -5.371307      6.573577 
1 1 1 10  12 13 o 226.5121 3.311466 6233.354       181.4712 6279.329       257.2531 6187.815       256.0293 227.3447 4.677067 225.6795 4.689164 1.665222       6.622931 
1 1 1 10  12 14 o 123.1950 2.586709 1842.997       77.09671 1830.434       108.6768 1855.726       109.3891 122.7723 3.658762 123.6177 3.657557 -0.8454514     5.173419 
1 1 1 10  12 15 o 68.79874 2.867897 577.2429       47.60227 632.0928       67.77318 523.8365       66.87536 72.04737 3.888100 65.55011 4.216872 6.497261       5.735794 
1 1 1 10  12 16 o 23.68717 4.883547 77.94169       39.49426 125.5724       42.98154 -180.3688      100.0944 31.41020 5.871885 15.96415 7.804941 15.44604       9.767095 
1 1 1 10  12 17 f 33.82315 6.108478 170.7869       44.17531 187.9221       48.27003 82.45092       109.5981 38.99596 5.116296 28.65034 11.09403 10.34562       12.21696 
1 1 1 10  12 18 o 44.69704 5.774668 255.2007       48.49328 249.4852       53.97702 279.1196       110.4213 44.78586 4.981563 44.60821 10.41975 0.1776505      11.54934 
1 1 1 10  12 19 o 30.03383 6.735899 67.40761       46.54456 30.37591       50.92993 255.0863       114.6552 18.84167 7.482235 41.22599 11.20292 -22.38431      13.47180 
1 1 1 10  12 20 o 18.58541 6.329806 -122.6354      71.30873 -173.3492      84.42204 3.641880       133.2157 13.52215 6.714292 23.64867 10.73238 -10.12652      12.65961 
1 1 1 10  14 0  o 358.0519 4.694838 15530.81       406.6724 15660.00       578.8665 15404.92       571.4485 359.5206 6.655066 356.5831 6.623903 2.937469       9.389675 
1 1 1 10  14 1  o 332.5195 4.409017 13390.22       354.6127 13199.85       494.8775 13591.12       508.3918 330.0942 6.196657 334.9449 6.273688 -4.850677      8.818033 
1 1 1 10  14 2  o 443.3411 5.664922 23839.20       607.6230 23842.21       859.5816 23836.19       859.0359 443.3688 8.013452 443.3134 8.009366 0.5545044E-01  11.32984 
1 1 1 10  14 3  o 351.0563 4.615755 14922.89       391.7627 15318.69       566.9752 14561.26       541.9442 355.4997 6.592081 346.6129 6.462604 8.886749       9.231510 
1 1 1 10  14 4  o 364.4157 4.770535 16101.75       420.5872 16194.40       597.3273 16010.65       592.3049 365.4541 6.755806 363.3772 6.737292 2.076904       9.541070 
1 1 1 10  14 6  o 169.1399 3.982474 3464.351       162.9676 0.000000       0.000000 3464.351       162.9676 ?        ?        169.1399 3.982474 ?              ?        
1 1 1 10  14 7  o 19.74047 5.320712 23.23278       37.63692 -12.75517      52.66825 60.78842       53.80318 16.14671 7.069983 23.33423 7.953317 -7.187523      10.64142 
1 1 1 10  14 8  o 331.4599 4.398738 13329.47       352.6777 13170.59       492.9568 13496.06       504.7764 329.4432 6.184806 333.4767 6.256498 -4.033478      8.797477 
1 1 1 10  14 9  o 290.7290 3.954684 10253.70       278.1457 10342.03       396.2120 10167.88       390.5638 291.9608 5.609198 289.4972 5.576290 2.463593       7.909368 
1 1 1 10  14 10 o 190.9513 3.017477 4418.333       139.3783 4482.342       199.3675 4357.143       194.9289 192.3021 4.285171 189.6005 4.249467 2.701538       6.034953 
1 1 1 10  14 11 o 100.3186 2.690459 1219.403       65.27500 1173.044       91.42265 1267.612       93.22945 98.37243 3.841299 102.2648 3.768118 -3.892395      5.380919 
1 1 1 10  14 12 o 208.6490 3.169654 5286.438       159.9919 5358.585       227.9178 5216.349       224.6431 210.0519 4.484866 207.2462 4.480269 2.805710       6.339309 
1 1 1 10  14 13 o 182.3111 2.953293 4036.426       130.1984 4183.736       187.6355 3899.637       180.8107 185.5150 4.180552 179.1072 4.172619 6.407791       5.906587 
1 1 1 10  14 14 o 29.74303 5.517271 113.6500       39.91726 112.7557       61.12931 114.3149       52.70576 29.65963 8.229370 29.82643 7.351093 -0.1668053     11.03454 
1 1 1 10  14 15 o 59.52802 3.550907 438.6312       49.78756 568.3988       71.87106 318.9029       69.03501 68.17323 4.357504 50.88281 5.607845 17.29042       7.101815 
1 1 1 10  14 16 o 88.17084 2.775775 950.3897       59.10550 970.2407       86.58130 933.0649       80.88476 89.00669 4.020677 87.33498 3.828037 1.671715       5.551550 
1 1 1 10  14 17 o 33.01056 7.139299 147.9773       59.02528 151.9201       69.50121 137.7751       111.7989 33.55840 8.539256 32.46272 11.44375 1.095680       14.27860 
1 1 1 10  14 18 o 56.46919 5.662542 445.4921       55.50497 458.6143       61.58414 388.6972       128.1210 60.82047 4.185205 52.11790 10.52338 8.702568       11.32508 
1 1 1 10  14 19 o 30.08360 7.136995 125.9381       51.00333 125.9885       55.13323 125.6395       134.3104 30.02205 7.587145 30.14514 12.09058 -0.1230869     14.27399 
1 1 1 10  14 20 o 43.22466 7.636902 366.4313       91.92147 456.5140       111.2637 172.7543       163.1442 55.97191 8.216387 30.47740 12.87556 25.49451       15.27380 
1 1 1 10  16 0  o 129.7441 2.682959 2033.256       84.11889 1920.666       115.8451 2158.834       122.3450 125.9534 3.801594 133.5349 3.786945 -7.581543      5.365918 
1 1 1 10  16 1  o 387.7465 5.039465 18241.64       472.7521 18201.07       667.6813 18282.43       669.4671 387.3143 7.125304 388.1786 7.128455 -0.8642273     10.07893 
1 1 1 10  16 2  o 369.5999 4.839914 16569.21       432.7137 16392.52       605.3867 16753.77       618.7308 367.5915 6.807146 371.6082 6.881993 -4.016663      9.679828 
1 1 1 10  16 3  o 46.49726 4.061323 263.1825       45.47423 236.8128       64.86598 288.6676       63.76860 44.19163 6.067010 48.80290 5.400811 -4.611271      8.122646 
1 1 1 10  16 4  o 25.38180 5.797349 75.23626       41.13161 56.71665       59.01322 92.73264       57.35979 23.34099 8.305002 27.42260 8.090980 -4.081606      11.59470 
1 1 1 10  16 5  o 269.9650 3.765804 8834.737       245.9514 8764.293       345.9075 8906.768       349.7805 268.8775 5.317447 271.0524 5.333842 -2.174835      7.531607 
1 1 1 10  16 6  o 398.9030 5.169844 19333.85       498.9382 19361.42       706.0920 19306.36       705.1192 399.1870 7.311098 398.6189 7.311430 0.5680847      10.33969 
1 1 1 10  16 7  o 197.2294 3.072813 4703.152       146.4496 4935.024       213.5708 4497.356       201.2039 201.8055 4.374281 192.6534 4.316755 9.152069       6.145625 
1 1 1 10  16 8  o 313.0659 4.217331 11897.85       319.4117 11986.01       454.6898 11811.96       448.8006 314.2075 5.981309 311.9243 5.947055 2.283264       8.434662 
1 1 1 10  16 9  o 178.5124 2.951386 3861.792       127.4463 3952.018       181.9750 3774.934       178.5465 180.5590 4.165723 176.4659 4.182042 4.093094       5.902772 
1 1 1 10  16 10 o 104.0230 3.886922 1312.096       97.82227 0.000000       0.000000 1312.096       97.82227 ?        ?        104.0230 3.886922 ?              ?        
1 1 1 10  16 11 o 139.2739 2.727352 2352.487       91.87180 2426.205       131.7140 2282.639       128.2096 141.3983 3.850219 137.1495 3.863884 4.248810       5.454703 
1 1 1 10  16 12 o 28.24667 5.841287 98.89710       42.54314 118.3642       63.13851 82.70918       57.57571 30.47385 8.326952 26.01949 8.194169 4.454367       11.68257 
1 1 1 10  16 13 o 64.81683 3.461905 513.6771       54.22289 508.7218       78.41319 518.2178       75.06203 64.49947 5.024938 65.13419 4.763311 -0.6347275     6.923809 
1 1 1 10  16 14 o 136.1053 2.747323 2255.056       90.35511 2383.251       131.7105 2141.094       124.1842 139.7471 3.895608 132.4634 3.874968 7.283737       5.494647 
1 1 1 10  16 15 o 67.63283 3.418391 565.5259       55.67974 516.9918       80.00210 611.1206       77.54164 64.73801 5.107869 70.52765 4.544366 -5.789635      6.836782 
1 1 1 10  16 16 o 62.33184 3.652947 479.2378       54.74354 512.6725       83.13627 453.6427       72.73937 64.17670 5.354400 60.48697 4.970561 3.689732       7.305893 
1 1 1 10  16 17 o 43.96345 4.761110 247.8935       50.32328 250.4859       75.57822 245.8288       67.44923 44.02950 7.094971 43.89740 6.350910 0.1321068      9.522220 
1 1 1 10  16 18 o 20.63508 6.026415 32.01934       47.80606 33.49941       77.41199 31.10691       60.78108 21.50275 8.962276 19.76741 8.059052 1.735338       12.05283 
1 1 1 10  16 19 f 46.34278 7.222333 319.6294       62.39265 309.0101       68.39612 372.2784       152.2926 48.32248 5.850324 44.36308 13.20690 3.959400       14.44467 
1 1 1 10  18 0  o 81.66377 2.989342 806.5211       59.01299 772.0034       81.52737 844.5115       85.53039 79.83152 4.221111 83.49602 4.234015 -3.664497      5.978684 
1 1 1 10  18 1  o 299.6169 4.083142 10841.18       295.1149 10309.49       399.1897 11482.02       438.2508 291.5658 5.659009 307.6679 5.887599 -16.10214      8.166285 
1 1 1 10  18 2  o 302.9875 4.124169 11132.54       302.2605 10983.69       422.4823 11288.61       432.6198 300.9176 5.803080 305.0574 5.861685 -4.139801      8.248339 
1 1 1 10  18 3  o 273.8959 3.822657 9097.277       253.3094 9087.575       358.6580 9106.934       357.8106 273.7491 5.415338 274.0428 5.396753 -0.2937317     7.645314 
1 1 1 10  18 4  o 211.0131 3.223787 5381.260       164.2984 5150.487       224.4567 5647.627       241.1459 206.1580 4.500183 215.8681 4.617311 -9.710159      6.447574 
1 1 1 10  18 5  o 88.37119 2.971134 943.5967       63.43274 889.8182       87.03790 1004.519       92.63870 85.69345 4.198155 91.04893 4.205477 -5.355476      5.942267 
1 1 1 10  18 6  f 65.39827 3.696978 523.2455       57.69927 423.4990       81.43210 623.8145       81.76712 59.06846 5.698200 71.72807 4.711804 -12.65961      7.393955 
1 1 1 10  18 7  o 207.3442 3.205604 5213.507       160.8040 5213.797       226.7536 5213.213       228.0744 207.3515 4.520064 207.3369 4.546714 0.1458740E-01  6.411208 
1 1 1 10  18 8  o 22.78611 6.043760 42.46244       46.65221 73.53352       65.62517 10.71757       66.33292 25.62180 8.783495 19.95041 8.304116 5.671394       12.08752 
1 1 1 10  18 9  o 47.70544 4.449092 281.8970       50.43996 331.0242       69.86882 228.4250       72.89300 52.15759 5.536860 43.25330 6.965692 8.904289       8.898184 
1 1 1 10  18 10 f 123.4175 2.776405 1846.431       82.82741 1934.273       120.1915 1766.986       114.3016 126.2068 3.936305 120.6282 3.916529 5.578606       5.552809 
1 1 1 10  18 11 o 107.0369 2.821145 1391.723       72.93922 1507.164       105.1045 1284.480       101.3037 111.3256 3.902331 102.7482 4.075198 8.577309       5.642289 
1 1 1 10  18 12 o 44.00821 4.833589 240.0138       51.20337 233.4910       75.70265 245.5142       69.51713 43.40226 7.209356 44.61416 6.440458 -1.211906      9.667177 
1 1 1 10  18 13 o 72.98907 3.269096 652.8225       57.66919 654.7177       83.51146 651.0950       79.73279 73.06950 4.723976 72.90866 4.520178 0.1608353      6.538192 
1 1 1 10  18 14 o 68.41557 3.576101 581.4088       58.77940 526.6271       85.37540 630.7763       81.04666 65.23413 5.409481 71.59702 4.678836 -6.362892      7.152202 
1 1 1 10  18 15 o 83.29706 3.177894 852.2078       63.77650 969.2095       93.71098 751.2603       87.04469 88.64072 4.369732 77.95339 4.615353 10.68733       6.355788 
1 1 1 10  18 16 o 79.95432 3.485765 799.3768       67.31995 787.7808       97.55641 809.9184       93.01543 79.31935 5.083635 80.58928 4.770627 -1.269928      6.971529 
1 1 1 10  18 17 f 24.90255 6.709597 73.89928       56.82728 50.70681       81.57794 95.76286       79.20636 23.10262 9.367373 26.70249 9.608700 -3.599867      13.41919 
1 1 1 10  18 18 f 24.50164 6.265031 65.42118       56.92244 -34.41848      83.52319 152.0112       77.78387 17.72060 8.208225 31.28268 9.467180 -13.56207      12.53006 
1 1 1 10  20 0  o 81.83621 3.204463 809.8472       63.34099 748.1522       87.41788 878.0397       91.90591 78.56026 4.599335 85.11215 4.463233 -6.551888      6.408926 
1 1 1 10  20 1  o 286.1022 3.969438 9874.053       273.6620 9303.340       367.5300 10584.19       409.9721 276.8999 5.486152 295.3045 5.738283 -18.40463      7.938876 
1 1 1 10  20 2  o 243.9360 3.542254 7213.399       208.9776 7083.905       290.8027 7351.687       300.5145 241.6779 4.973466 246.1941 5.045283 -4.516220      7.084507 
1 1 1 10  20 3  o 111.2494 2.901417 1499.841       78.08899 1513.862       111.0853 1486.144       109.7951 111.7630 4.108241 110.7357 4.098198 1.027382       5.802833 
1 1 1 10  20 4  o 243.7639 3.551341 7210.208       209.4415 7219.780       295.9721 7200.608       296.4185 243.9270 5.015204 243.6008 5.029494 0.3262329      7.102682 
1 1 1 10  20 5  o 216.9602 3.313382 5702.048       173.7604 5935.341       252.4615 5492.064       239.5178 221.1652 4.718195 212.7551 4.653240 8.410080       6.626764 
1 1 1 10  20 6  o 152.1805 2.917776 2807.085       107.3813 2713.860       149.3909 2906.740       154.4559 149.5684 4.128401 154.7927 4.124316 -5.224274      5.835553 
1 1 1 10  20 7  o 181.6387 3.044864 3997.516       133.6621 4213.493       194.4319 3803.991       184.0488 186.2791 4.314207 176.9982 4.297955 9.280899       6.089729 
1 1 1 10  20 8  o 73.47977 3.293288 657.0131       58.51530 642.1409       83.47396 671.3824       82.05065 72.65392 4.748863 74.30563 4.564130 -1.651703      6.586576 
1 1 1 10  20 9  o 112.4767 3.992816 1538.388       108.6536 1538.388       108.6536 0.000000       0.000000 112.4767 3.992816 ?        ?        ?              ?        
1 1 1 10  20 10 o 91.64151 3.185427 1011.223       70.05965 1208.758       105.6121 855.9810       93.62591 99.54909 4.385045 83.73394 4.621598 15.81515       6.370854 
1 1 1 10  20 11 o 53.54576 4.234021 354.0960       54.71752 325.0860       77.16551 383.4342       77.60085 51.29671 6.217723 55.79482 5.748709 -4.498100      8.468041 
1 1 1 10  20 12 o 86.60127 3.199569 919.2108       67.00802 956.6709       96.19243 883.8964       93.39671 88.32010 4.501726 84.88244 4.547905 3.437660       6.399138 
1 1 1 10  20 13 f 90.95584 3.042740 1017.305       66.83916 1093.422       95.04198 942.8236       94.01604 94.36978 4.162748 87.54189 4.438985 6.827888       6.085480 
1 1 1 10  20 14 o 48.23223 5.456408 320.0328       58.39191 200.1418       85.32255 425.6525       80.08349 38.18088 9.318537 58.28358 5.679296 -20.10270      10.91282 
1 1 1 10  20 15 o 29.11649 6.826265 115.6063       56.09391 119.0528       79.02299 112.1060       79.63814 29.45536 9.630693 28.77761 9.676844 0.6777496      13.65253 
1 1 1 10  20 16 o 63.37393 4.466796 529.4715       67.38603 609.1647       93.28046 442.4895       97.45289 68.91275 5.594854 57.83511 6.964674 11.07764       8.933593 
1 1 1 10  20 17 o 81.76144 3.797612 870.0736       74.59688 856.0287       99.56318 888.0482       112.6336 81.34515 5.059002 82.17775 5.665151 -0.8326035     7.595224 
1 1 1 10  22 0  o 142.6570 2.869568 2462.237       98.89141 2359.709       135.3848 2579.515       144.7963 139.4855 4.011791 145.8286 4.104049 -6.343063      5.739136 
1 1 1 10  22 1  o 169.9841 4.276627 3506.084       175.8782 3506.084       175.8782 0.000000       0.000000 169.9841 4.276627 ?        ?        ?              ?        
1 1 1 10  22 2  o 275.5256 3.872270 9216.350       257.8196 9565.625       375.9430 8906.224       354.2475 280.4273 5.541143 270.6239 5.410511 9.803375       7.744539 
1 1 1 10  22 3  o 48.81949 4.602266 290.5397       54.31908 306.3728       77.70199 275.4066       75.96502 50.12583 6.407199 47.51315 6.608419 2.612679       9.204532 
1 1 1 10  22 4  f 147.5490 2.902782 2634.224       103.4404 2804.716       151.7942 2486.412       141.3385 151.9881 4.128033 143.1098 4.082148 8.878311       5.805565 
1 1 1 10  22 5  o 189.1392 3.098853 4346.604       141.7776 4429.818       202.8283 4267.098       198.2575 190.9070 4.391415 187.3715 4.373446 3.535446       6.197705 
1 1 1 10  22 6  o 46.93739 5.030239 271.1747       56.97068 282.6563       78.90160 258.6686       82.34617 48.00867 6.793035 45.86611 7.420774 2.142563       10.06048 
1 1 1 10  22 7  o 117.7390 3.531795 1667.220       93.86445 1762.046       167.9561 1624.151       113.1906 119.9541 5.787333 115.5239 4.049826 4.430229       7.063591 
1 1 1 10  22 8  o 127.8173 2.902936 1984.729       89.61768 2118.152       131.3515 1868.531       122.5798 131.8197 4.118627 123.8150 4.092072 8.004715       5.805871 
1 1 1 10  22 9  o 37.42934 5.934566 186.0484       54.11079 121.5402       80.24435 239.8419       73.27772 30.90229 9.664264 43.95641 6.890448 -13.05412      11.86913 
1 1 1 10  22 10 o 49.17843 4.817836 302.0692       57.14779 328.5087       80.82072 275.6317       80.81763 51.40048 6.499099 46.95638 7.113923 4.444103       9.635673 
1 1 1 10  22 11 o 39.83273 6.255662 211.0513       58.67665 209.5970       84.89996 212.3811       81.18713 39.62906 9.053309 40.03640 8.635441 -0.4073448     12.51132 
1 1 1 10  22 12 o 55.44328 4.590817 389.1310       61.29380 360.4449       88.58468 415.4789       84.89785 53.34254 6.864083 57.54401 6.098096 -4.201469      9.181635 
1 1 1 10  22 13 o 101.2535 3.175969 1271.051       77.78542 1303.187       111.2838 1240.352       108.7696 102.5067 4.487221 100.0002 4.495773 2.506485       6.351939 
1 1 1 10  22 14 o 22.14396 6.499677 32.34220       57.83393 54.79831       81.76443 9.858482       81.81466 23.67660 9.455667 20.61132 8.920402 3.065283       12.99935 
1 1 1 10  22 15 o 54.22113 5.385050 412.4026       66.22750 477.6765       88.80501 330.6093       99.40916 60.50465 6.066615 47.93761 8.898946 12.56704       10.77010 
1 1 1 10  22 16 o 21.33355 6.555590 32.29898       62.82814 39.48078       83.23716 22.78917       95.78266 21.38517 9.121861 21.28193 9.417786 0.1032429      13.11118 
1 1 1 10  24 0  f 86.32168 3.359835 908.4702       69.77299 1036.483       100.0480 787.2562       97.35490 92.28042 4.481225 80.36294 5.007255 11.91748       6.719671 
1 1 1 10  24 1  o 209.5229 3.292233 5321.509       166.4335 5701.697       246.7483 5004.155       225.4378 216.3378 4.714324 202.7081 4.596776 13.62973       6.584467 
1 1 1 10  24 2  o 159.8336 2.950659 3093.373       113.8100 3339.280       168.3354 2886.331       154.4614 165.6495 4.200326 154.0177 4.145216 11.63184       5.901318 
1 1 1 10  24 3  o 160.2491 2.968276 3107.204       114.6935 3378.261       170.9216 2885.178       154.6922 166.5557 4.241652 153.9426 4.153436 12.61311       5.936552 
1 1 1 10  24 4  f 97.14888 3.051100 1149.835       71.66777 1169.483       103.5304 1131.756       99.30849 97.93579 4.369422 96.36198 4.259694 1.573814       6.102200 
1 1 1 10  24 5  o 133.1399 2.887686 2147.218       92.69656 2338.707       138.2181 1990.686       124.9667 138.4893 4.125213 127.7906 4.041974 10.69874       5.775373 
1 1 1 10  24 6  o 43.46495 5.385375 233.3360       54.29406 323.2495       83.51913 167.5274       71.45210 51.06968 6.759593 35.86021 8.385519 15.20947       10.77075 
1 1 1 10  24 7  o 39.40715 6.529165 197.3766       60.77690 259.3337       95.86954 155.7442       78.58704 44.42474 9.221624 34.38956 9.245628 10.03518       13.05833 
1 1 1 10  24 8  o 67.05529 4.343780 542.9027       68.18742 773.2126       105.5103 377.7249       89.35408 79.10227 5.513199 55.00831 6.714039 24.09396       8.687559 
1 1 1 10  24 9  o 81.74944 3.598261 821.6978       70.72004 959.8319       103.7436 701.7875       96.65832 88.21101 4.861121 75.28787 5.306545 12.92313       7.196521 
1 1 1 10  24 10 o 35.09826 6.693688 165.1930       59.55939 220.9939       87.18098 116.3566       81.55917 40.38983 9.135548 29.80668 9.785888 10.58315       13.38738 
1 1 1 10  24 11 o 18.08176 5.869260 -46.88649      58.87592 -25.46722      81.25967 -70.55651      85.42246 18.85685 8.486051 17.30667 8.110475 1.550182       11.73852 
1 1 1 10  24 12 o 77.65323 3.802654 760.3092       71.41145 788.1219       102.6420 734.2167       99.41726 79.03436 5.367930 76.27209 5.387581 2.762268       7.605307 
1 1 1 10  24 13 o 38.28381 6.539854 214.9951       61.36937 276.9489       86.60950 152.5239       86.97040 44.49942 8.351418 32.06821 10.06641 12.43121       13.07971 
1 1 1 10  24 14 o 35.98518 7.227678 208.1910       67.07671 240.6397       91.49747 170.4904       98.62452 39.57039 9.645067 32.39996 10.76708 7.170425       14.45536 
1 1 1 10  26 0  o 77.62756 3.537149 738.3888       66.38767 769.1819       95.95077 710.1103       91.94968 79.17664 5.008977 76.07848 4.995582 3.098160       7.074298 
1 1 1 10  26 1  o 50.49311 4.966413 316.7385       60.55975 326.0628       88.83468 308.6429       82.77489 51.15481 7.177840 49.83142 6.865830 1.323387       9.932825 
1 1 1 10  26 2  o 171.4109 3.047560 3572.647       125.9455 3858.257       187.9349 3339.808       169.6873 177.5631 4.374743 165.2588 4.244069 12.30431       6.095120 
1 1 1 10  26 3  o 54.67162 4.544561 376.4046       59.19670 324.2740       87.22935 420.9093       80.59701 50.96288 7.074673 58.38037 5.706237 -7.417488      9.089122 
1 1 1 10  26 4  o 70.02217 3.872687 596.8624       64.92391 732.9067       97.85789 489.8979       86.77118 77.10817 5.245575 62.93616 5.698662 14.17200       7.745373 
1 1 1 10  26 5  o 31.46703 6.623316 117.3058       57.26194 201.2497       88.39022 56.59729       75.16821 38.76026 9.499637 24.17381 9.232018 14.58645       13.24663 
1 1 1 10  26 6  o 86.19468 3.368536 902.7555       69.71347 1032.862       106.8181 806.2208       92.01031 91.50523 4.824990 80.88412 4.701873 10.62111       6.737072 
1 1 1 10  26 7  o 47.33241 5.895683 304.0147       63.73618 206.1780       92.34554 393.0197       88.07890 38.79849 9.827032 55.86633 6.516576 -17.06784      11.79137 
1 1 1 10  26 8  o 56.08600 5.186921 402.8022       70.25314 437.2230       101.1632 370.7395       97.63651 58.47626 7.150569 53.69573 7.515713 4.780533       10.37384 
1 1 1 10  26 9  o 42.95743 5.966585 256.0747       60.61343 377.7848       86.31222 137.6469       85.14046 54.38251 6.560103 31.53235 9.968228 22.85016       11.93317 
1 1 1 10  26 10 o 55.26017 4.905473 396.3737       65.52139 420.6810       94.49593 373.8665       90.92943 56.93176 6.860507 53.58857 7.013422 3.343193       9.810946 
1 1 1 10  26 11 o 24.66170 6.823906 54.84735       65.38150 -28.85761      96.77483 125.1367       88.68123 19.85282 9.062715 29.47058 10.20441 -9.617760      13.64781 
1 1 1 10  26 12 o 23.31724 6.801524 30.93984       68.36903 121.0674       97.10988 -57.63979      96.27236 28.41309 10.57065 18.22139 8.561793 10.19170       13.60305 
1 1 1 10  26 13 o 40.33476 7.034674 271.3072       71.60096 177.1775       100.9069 366.7624       101.6149 31.71375 10.89056 48.95578 8.907432 -17.24204      14.06935 
1 1 1 10  28 0  o 105.4803 3.201329 1371.764       81.64798 1363.210       117.2879 1379.807       113.7296 105.1243 4.611562 105.8364 4.441569 -0.7121201     6.402659 
1 1 1 10  28 1  o 35.78128 6.803467 170.5720       60.97924 223.1405       90.96334 127.6659       82.17944 40.54637 9.447923 31.01620 9.792109 9.530172       13.60693 
1 1 1 10  28 2  o 70.69844 4.040923 620.5342       68.84050 663.7706       103.1290 585.7855       92.45382 72.85349 5.850973 68.54340 5.575155 4.310097       8.081846 
1 1 1 10  28 3  o 31.90783 6.996948 139.1874       61.25001 97.82889       93.66022 170.0914       80.96185 28.53578 10.42177 35.27988 9.338939 -6.744104      13.99390 
1 1 1 10  28 4  o 44.17619 6.241522 259.0429       64.02721 313.9081       97.75777 217.8271       84.72958 48.36857 8.672429 39.98381 8.978605 8.384758       12.48304 
1 1 1 10  28 5  o 48.47398 5.600352 310.9866       63.33530 298.5304       95.88814 320.6266       84.35537 46.93649 8.766454 50.01146 6.971735 -3.074970      11.20070 
1 1 1 10  28 6  o 60.73975 7.092969 586.0915       85.18064 692.7998       102.4440 347.0553       153.3273 74.04341 5.718709 47.43608 12.98219 26.60733       14.18594 
1 1 1 10  28 7  o 33.09512 8.132211 152.1694       78.21039 196.3117       125.9273 124.4497       99.78989 36.03839 12.16814 30.15183 10.79202 5.886562       16.26442 
1 1 1 10  28 8  o 46.97318 8.464816 346.5831       96.57922 365.6158       136.7849 327.6621       136.3832 48.49924 11.77540 45.44711 12.16356 3.052124       16.92963 
1 1 1 10  28 9  o 27.79613 7.972805 52.27363       91.49416 208.9233       139.2881 -66.61511      121.3444 35.16348 12.72951 20.42878 9.603235 14.73470       15.94561 
1 1 1 10  28 10 o 27.22526 7.806215 59.45079       101.5302 -227.7216      172.0214 212.9685       125.7738 19.86554 9.813676 34.58499 12.14248 -14.71945      15.61243 
1 1 1 10  28 11 o 20.81397 9.801845 -31.06484      127.4237 0.000000       0.000000 -31.06484      127.4237 ?        ?        20.81397 9.801845 ?              ?        
1 1 1 11  1  0  o 505.2087 6.356952 30829.00       774.4960 32461.28       1152.380 29484.31       1045.945 517.3237 9.207270 493.0938 8.767527 24.22995       12.71390 
1 1 1 11  1  1  o 500.4066 7.792040 29827.60       866.6430 31861.99       1599.963 28982.87       1030.988 511.9044 12.91870 488.9088 8.716124 22.99551       15.58408 
1 1 1 11  1  2  o 387.2617 4.970078 18166.99       465.6512 18101.90       655.9636 18233.09       661.1273 386.5637 7.013848 387.9596 7.043626 -1.395905      9.940157 
1 1 1 11  1  3  o 540.2802 6.767519 35337.55       883.5503 36438.76       1288.045 34358.86       1214.273 548.2000 9.711575 532.3604 9.427757 15.83966       13.53504 
1 1 1 11  1  4  o 653.0624 8.103690 51723.72       1280.352 51937.68       1818.296 51513.31       1803.181 654.3983 11.48471 651.7264 11.43593 2.671814       16.20738 
1 1 1 11  1  5  o 511.5239 6.417599 31684.58       794.1005 32029.23       1134.978 31354.08       1111.447 514.2451 9.122522 508.8027 9.028949 5.442383       12.83520 
1 1 1 11  1  6  o 788.6885 9.744422 74976.38       1850.256 79873.61       2787.344 71118.59       2473.919 811.5134 14.19687 765.8635 13.35155 45.64990       19.48884 
1 1 1 11  1  7  o 311.3575 4.757441 11663.49       307.8462 11595.97       353.5703 11875.07       625.8921 309.5599 4.720943 313.1552 8.261094 -3.595337      9.514882 
1 1 1 11  1  8  o 637.7773 9.088085 49985.92       1239.392 50720.52       1452.514 48019.04       2376.757 646.9876 9.279447 628.5671 15.62898 18.42047       18.17617 
1 1 1 11  1  9  o 450.4464 6.528205 25111.05       635.6927 25755.54       752.0331 23497.92       1189.781 461.0734 6.741625 439.8195 11.18125 21.25391       13.05641 
1 1 1 11  1  10 o 533.4931 7.752565 34688.46       867.8214 34742.91       1003.569 34527.07       1727.944 535.1171 7.751683 531.8691 13.42835 3.248047       15.50513 
1 1 1 11  1  11 o 180.6003 3.213585 3958.382       121.1722 3965.854       139.7505 3935.753       243.2188 181.0049 3.191250 180.1956 5.578927 0.8092499      6.427169 
1 1 1 11  1  12 f 171.6548 3.149914 3565.909       112.3923 3562.128       129.2549 3577.632       227.5779 171.5359 3.114510 171.7737 5.476098 -0.2377472     6.299827 
1 1 1 11  1  13 o 183.8020 2.825564 4087.637       125.5577 3960.688       173.5710 4226.984       181.8489 180.8142 3.967732 186.7899 4.023973 -5.975723      5.651128 
1 1 1 11  1  14 o 163.7362 2.668772 3225.322       105.3308 3540.477       157.2767 2969.005       141.8374 170.9353 3.803037 156.5371 3.745167 14.39819       5.337543 
1 1 1 11  1  15 f 194.4755 2.944684 4587.116       138.5210 4678.836       198.3678 4499.825       193.5189 196.3705 4.175346 192.5804 4.153450 3.790146       5.889369 
1 1 1 11  1  16 o 81.50842 2.363737 804.8662       46.57586 764.8965       64.54652 848.2859       67.27455 79.39909 3.360122 83.61777 3.325446 -4.218681      4.727474 
1 1 1 11  1  17 o 57.04502 2.873173 396.4814       39.64843 403.4256       56.03691 389.5201       56.10584 57.54905 4.024703 56.54100 4.101497 1.008049       5.746347 
1 1 1 11  1  18 o 56.30135 2.990679 388.5493       40.57696 429.4083       57.53908 348.1265       57.23113 59.28329 4.011699 53.31941 4.436543 5.963882       5.981358 
1 1 1 11  1  19 o 36.95919 4.470224 173.7597       38.90637 194.6662       55.40987 153.4286       54.64201 39.53926 5.792369 34.37911 6.810291 5.160149       8.940448 
1 1 1 11  1  20 o 21.70162 5.636982 52.42687       38.83227 57.06584       56.01566 48.13476       53.88078 22.26504 8.070627 21.13819 7.871927 1.126854       11.27396 
1 1 1 11  3  0  o 116.8374 2.175312 1650.248       61.46100 1591.901       85.43761 1712.824       88.48019 114.6990 3.078840 118.9757 3.073870 -4.276680      4.350624 
1 1 1 11  3  1  o 216.1832 3.084592 5656.162       161.3252 5702.983       229.4883 5610.419       226.8315 217.0674 4.369821 215.2990 4.354708 1.768402       6.169183 
1 1 1 11  3  2  o 243.2462 3.372091 7148.979       198.2299 7433.977       288.7539 6894.940       272.6201 247.8216 4.815999 238.6707 4.721243 9.150909       6.744181 
1 1 1 11  3  3  o 279.9303 3.764130 9478.078       254.7911 9692.564       367.7087 9279.985       353.3766 282.9727 5.371023 276.8878 5.275111 6.084930       7.528259 
1 1 1 11  3  4  o 246.6642 3.404533 7357.856       203.0753 7202.841       281.9119 7525.055       292.7800 243.9664 4.776184 249.3619 4.852984 -5.395538      6.809067 
1 1 1 11  3  5  o 764.3668 10.85164 71493.46       1760.706 72145.98       2052.111 69672.81       3427.801 771.6318 10.99230 757.1017 18.71368 14.53015       21.70328 
1 1 1 11  3  6  o 819.0415 11.79848 79943.24       1967.476 78694.52       2234.029 84259.37       4153.404 805.8532 11.45857 832.2299 20.62807 -26.37665      23.59695 
1 1 1 11  3  7  o 764.2548 10.92551 70806.21       1744.175 70693.76       2010.635 71148.13       3506.014 763.7499 10.88127 764.7597 18.94901 -1.009827      21.85102 
1 1 1 11  3  8  o 102.4931 2.607523 1238.745       53.94406 1213.447       60.95280 1330.161       115.8679 100.1485 2.515632 104.8377 4.568184 -4.689186      5.215046 
1 1 1 11  3  9  o 102.8675 2.630366 1303.846       55.36732 1324.798       63.49475 1237.359       113.1079 104.6377 2.508115 101.0973 4.624355 3.540352       5.260732 
1 1 1 11  3  10 o 213.8530 3.576175 5605.771       161.4892 5677.025       187.8429 5403.926       316.1538 216.5599 3.585208 211.1461 6.188894 5.413788       7.152351 
1 1 1 11  3  11 o 482.2582 7.015317 28685.03       722.4035 29114.37       846.2011 27531.23       1387.205 489.7563 7.141530 474.7601 12.07714 14.99619       14.03063 
1 1 1 11  3  12 f 116.0521 2.800752 1631.946       65.81326 1632.521       74.83578 1629.982       138.2579 116.1369 2.663401 115.9672 4.927793 0.1697235      5.601504 
1 1 1 11  3  13 o 212.7942 3.628103 5509.183       160.6999 5526.499       185.1385 5456.276       323.6218 213.6109 3.582375 211.9774 6.310240 1.633514       7.256207 
1 1 1 11  3  14 o 299.7021 4.685294 10841.30       290.1908 10766.32       332.4152 11081.50       594.9438 297.9479 4.611458 301.4564 8.157351 -3.508545      9.370587 
1 1 1 11  3  15 o 78.86279 3.385016 848.9918       49.83281 916.1032       56.39708 609.9941       106.4278 86.96587 2.680436 70.75971 6.216800 16.20615       6.770032 
1 1 1 11  3  16 o 104.6173 2.951091 1301.612       60.45440 1281.867       67.62990 1380.131       134.8630 102.8331 2.718339 106.4015 5.238929 -3.568481      5.902182 
1 1 1 11  3  17 o 120.7158 2.491709 1769.239       72.70033 1689.602       100.2064 1857.740       105.6360 117.8551 3.514346 123.5764 3.533246 -5.721344      4.983418 
1 1 1 11  3  18 o 57.80196 3.069663 409.6472       42.83731 439.5676       60.54710 379.6595       60.61517 59.94431 4.174871 55.65961 4.501308 4.284695       6.139326 
1 1 1 11  3  19 o 86.10138 2.675517 907.3799       55.68345 963.3543       80.13928 855.1298       77.42731 88.67980 3.735239 83.52295 3.831652 5.156853       5.351034 
1 1 1 11  3  20 o 33.71954 5.180614 155.4662       41.81479 110.1106       62.86094 191.4637       56.00174 28.53144 8.482992 38.90765 5.949278 -10.37622      10.36123 
1 1 1 11  5  0  o 133.1173 2.338244 2142.591       75.27632 2083.170       104.7223 2206.119       108.2805 131.2092 3.298926 135.0255 3.314607 -3.816299      4.676487 
1 1 1 11  5  1  o 593.5021 7.400725 42721.71       1062.624 42973.31       1511.370 42475.75       1494.331 595.2257 10.49510 591.7784 10.43723 3.447266       14.80145 
1 1 1 11  5  2  o 412.9767 5.271967 20653.90       526.7106 20802.64       750.0969 20509.23       739.7729 414.4417 7.480862 411.5118 7.430427 2.929810       10.54393 
1 1 1 11  5  3  o 349.3336 4.546295 14728.72       383.3914 14143.28       521.6300 15416.54       565.4067 341.8113 6.307741 356.8559 6.548861 -15.04462      9.092589 
1 1 1 11  5  4  o 101.7392 2.175249 1252.133       53.51009 1312.601       76.23616 1193.414       75.12545 104.1602 3.025219 99.31827 3.126480 4.841942       4.350498 
1 1 1 11  5  5  o 416.0291 5.311889 20947.21       534.5447 21204.84       765.4419 20701.96       746.8226 418.5234 7.559449 413.5348 7.464540 4.988647       10.62378 
1 1 1 11  5  6  o 343.8890 4.483181 14312.83       372.9725 14215.30       523.7699 14413.15       531.2350 342.7014 6.317166 345.0767 6.363100 -2.375244      8.966361 
1 1 1 11  5  7  o 458.0637 5.802007 25402.70       642.7856 25036.78       895.4572 25791.70       923.2522 454.6662 8.140476 461.4612 8.269569 -6.794922      11.60401 
1 1 1 11  5  8  o 195.4574 3.409312 4555.955       136.3501 4497.571       155.2302 4753.123       285.2665 192.7904 3.328038 198.1243 5.951284 -5.333923      6.818623 
1 1 1 11  5  9  o 286.0226 4.501818 9601.100       258.8434 9363.387       291.7317 10480.67       561.1664 278.1003 4.335907 293.9450 7.890840 -15.84479      9.003635 
1 1 1 11  5  10 o 326.4973 4.962315 13029.71       342.2737 13134.62       397.7820 12730.52       671.7499 329.2762 4.993239 323.7183 8.577052 5.557922       9.924629 
1 1 1 11  5  11 o 114.4096 2.823934 1615.477       65.38185 1641.353       74.62914 1530.042       135.6055 116.4545 2.648805 112.3648 4.988211 4.089691       5.647868 
1 1 1 11  5  12 o 138.9778 2.960009 2310.235       82.94494 2286.674       93.91122 2393.813       176.8755 137.4424 2.824192 140.5131 5.202936 -3.070694      5.920017 
1 1 1 11  5  13 o 232.3267 3.882509 6437.486       183.6824 6344.866       208.6356 6756.692       387.3231 228.8587 3.768067 235.7946 6.789490 -6.935867      7.765018 
1 1 1 11  5  14 o 50.78433 3.869615 262.9132       36.25268 239.6788       39.27278 396.7876       94.27014 44.47284 3.650013 57.09583 6.824448 -12.62298      7.739231 
1 1 1 11  5  15 o 113.6174 3.246825 1547.525       79.13285 1523.957       92.22226 1613.325       154.0934 112.1086 3.400122 115.1261 5.532328 -3.017540      6.493649 
1 1 1 11  5  16 o 190.3367 3.356166 4398.167       154.5497 4398.167       154.5497 0.000000       0.000000 190.3367 3.356166 ?        ?        ?              ?        
1 1 1 11  5  17 f 52.46488 4.017429 281.4547       39.79302 252.6253       43.31884 437.2397       100.6983 45.52496 3.933009 59.40480 7.006454 -13.87984      8.034859 
1 1 1 11  5  18 o 76.71750 3.569544 711.9667       51.84737 704.4061       57.47006 745.0327       120.1854 76.05253 3.123386 77.38248 6.419582 -1.329948      7.139088 
1 1 1 11  5  19 o 49.94900 5.831958 341.5794       55.87325 354.8438       63.75810 297.6800       115.9899 53.53077 4.922997 46.36723 10.57407 7.163540       11.66392 
1 1 1 11  5  20 o 34.12054 6.812435 173.6500       55.50435 189.5551       62.79472 116.8352       118.6820 37.77389 7.132587 30.46719 11.60876 7.306698       13.62487 
1 1 1 11  7  0  o 411.2137 5.257390 20471.74       522.9542 20242.44       731.3340 20711.68       748.0884 408.8601 7.393306 413.5672 7.476606 -4.707031      10.51478 
1 1 1 11  7  1  o 405.7214 5.194271 19923.61       509.7143 19639.75       710.5182 20224.60       731.6351 402.7478 7.291883 408.6949 7.399341 -5.947052      10.38854 
1 1 1 11  7  2  o 466.8774 5.907262 26267.00       664.6896 25014.36       894.0209 27815.23       993.9219 454.5056 8.130291 479.2492 8.572127 -24.74356      11.81452 
1 1 1 11  7  3  f 684.0732 8.479240 56702.69       1403.038 56029.13       1960.007 57410.55       2009.302 679.9163 11.91516 688.2302 12.06728 -8.313843      16.95848 
1 1 1 11  7  4  o 271.2807 3.696107 8901.247       242.5036 8744.536       337.6331 9068.237       348.5303 268.8162 5.191433 273.7451 5.262496 -4.928925      7.392215 
1 1 1 11  7  5  o 946.9497 11.65164 108898.0       2669.372 108551.5       3762.048 109249.2       3788.212 945.4398 16.44706 948.4595 16.50871 -3.019714      23.30329 
1 1 1 11  7  6  o 611.1217 7.611077 45253.41       1125.002 44636.36       1568.704 45906.82       1614.260 606.8430 10.68470 615.4004 10.84210 -8.557373      15.22215 
1 1 1 11  7  7  o 314.8260 4.175601 11995.03       317.9410 11815.39       442.7908 12186.22       456.8098 312.3959 5.858561 317.2561 5.951455 -4.860229      8.351201 
1 1 1 11  7  8  o 219.6106 3.158246 5826.527       167.5981 6082.455       244.5430 5599.837       230.1502 224.1472 4.509409 215.0740 4.423042 9.073151       6.316492 
1 1 1 11  7  9  o 190.1897 2.881542 4363.990       132.2966 4156.336       179.9099 4608.483       195.2174 185.2833 4.013436 195.0961 4.135876 -9.812790      5.763084 
1 1 1 11  7  10 o 53.14169 2.567483 341.8270       32.97966 322.1142       46.20300 362.3042       47.09023 51.57915 3.702489 54.70422 3.558014 -3.125072      5.134967 
1 1 1 11  7  11 o 278.3708 4.356781 9387.703       293.4214 9387.703       293.4214 0.000000       0.000000 278.3708 4.356781 ?        ?        ?              ?        
1 1 1 11  7  12 f 476.7051 7.039140 27648.03       697.8942 27562.74       802.7766 27911.96       1412.180 476.2889 6.966616 477.1213 12.23373 -0.8323364     14.07828 
1 1 1 11  7  13 o 125.4906 2.998252 1930.045       75.84946 1947.619       86.28939 1870.315       159.0806 126.8310 2.812092 124.1501 5.296244 2.680954       5.996504 
1 1 1 11  7  14 o 119.4374 3.201871 1649.887       82.34631 1560.787       95.37740 1910.767       163.2024 113.4807 3.473931 125.3941 5.379564 -11.91339      6.403741 
1 1 1 11  7  15 f 232.4540 4.148953 6552.660       216.4777 6491.214       260.7720 6688.876       388.2642 231.0551 4.664907 233.8529 6.862498 -2.797791      8.297906 
1 1 1 11  7  16 o 55.12371 4.615283 371.7664       58.29050 368.1142       71.60548 378.9411       100.3635 54.86275 5.394688 55.38467 7.490039 -0.5219193     9.230565 
1 1 1 11  7  17 o 78.40972 3.935609 730.1241       71.88817 665.1993       88.71835 854.2534       122.6719 73.64564 4.979252 83.17381 6.096155 -9.528168      7.871217 
1 1 1 11  7  18 o 78.84497 4.119497 753.3815       75.57285 708.1499       93.55723 838.3105       128.1991 75.75414 5.104681 81.93579 6.467091 -6.181648      8.238995 
1 1 1 11  7  19 o 53.58993 4.498256 329.9162       46.54883 309.9011       51.42467 420.7020       109.5220 50.12706 4.240304 57.05280 7.934547 -6.925735      8.996511 
1 1 1 11  7  20 o 16.24479 5.444565 -45.07853      42.02515 -46.12300      46.32770 -40.22606      99.85651 12.49145 5.890966 19.99812 9.158039 -7.506662      10.88913 
1 1 1 11  9  0  o 430.6221 5.509399 22370.17       572.4219 23484.86       848.2038 21437.91       775.7000 440.4305 7.960135 420.8136 7.619066 19.61694       11.01880 
1 1 1 11  9  1  o 924.8420 13.81286 105351.0       2987.585 109758.1       3814.549 98358.13       4805.045 950.8315 16.58201 898.8526 22.09565 51.97888       27.62573 
1 1 1 11  9  2  o 290.9945 3.925241 10246.79       276.3311 10312.92       393.2743 10182.29       388.3547 291.9215 5.568357 290.0675 5.533846 1.854004       7.850482 
1 1 1 11  9  3  o 51.87868 2.959035 327.7353       36.90015 359.5869       51.23298 293.4019       53.19151 54.51548 3.884432 49.24189 4.464834 5.273590       5.918070 
1 1 1 11  9  4  o 202.6946 3.033046 4970.279       148.7184 4903.209       208.2309 5040.110       212.4724 201.2994 4.275632 204.0899 4.303073 -2.790466      6.066092 
1 1 1 11  9  5  o 107.8263 2.414183 1406.237       62.95455 1462.937       89.88842 1351.649       88.19801 109.9591 3.378861 105.6935 3.449118 4.265556       4.828366 
1 1 1 11  9  6  o 386.2955 6.109278 18094.77       538.7446 18060.68       930.9989 18111.94       660.5833 385.8982 9.971813 386.6929 7.060883 -0.7947693     12.21856 
1 1 1 11  9  7  o 59.29616 2.692588 426.7493       38.47836 441.5970       52.72418 409.8295       56.28327 60.40442 3.607769 58.18789 3.998015 2.216526       5.385176 
1 1 1 11  9  8  o 51.49883 2.769679 320.8985       34.47769 302.2776       48.18288 340.4372       49.35593 49.96796 3.985647 53.02969 3.846962 -3.061733      5.539359 
1 1 1 11  9  9  o 111.7449 2.389375 1511.170       64.58314 1556.372       92.12775 1467.493       90.56109 113.3880 3.358313 110.1018 3.399733 3.286148       4.778750 
1 1 1 11  9  10 o 235.5732 4.119925 6728.292       220.7646 6724.857       269.6429 6735.277       384.4868 235.5831 4.730888 235.5632 6.746395 0.1988220E-01  8.239851 
1 1 1 11  9  11 o 73.98499 2.543470 662.9077       45.52615 666.6491       64.27766 659.1414       64.49026 74.19484 3.580833 73.77514 3.613115 0.4197006      5.086941 
1 1 1 11  9  12 o 253.9509 3.547202 7821.183       217.9374 7803.226       307.2562 7839.365       309.1729 253.6588 5.006663 254.2430 5.026320 -0.5841675     7.094404 
1 1 1 11  9  13 o 286.6853 4.522402 10142.00       274.6475 10304.38       320.3779 9691.851       533.4179 291.4608 4.543390 281.9097 7.820874 9.551147       9.044804 
1 1 1 11  9  14 o 67.79982 3.704784 500.5352       45.27859 474.4179       49.05012 651.0411       117.7477 62.55934 3.240751 73.04031 6.663274 -10.48097      7.409567 
1 1 1 11  9  15 o 177.1108 3.430022 3759.186       121.6796 3711.378       137.3665 3933.373       262.2054 174.8819 3.246636 179.3397 6.043142 -4.457855      6.860045 
1 1 1 11  9  16 o 18.36907 5.542452 -74.62153      31.87502 -97.52075      34.01226 90.60084       91.36072 8.077039 4.048899 28.66110 10.31899 -20.58406      11.08490 
1 1 1 11  9  17 o 101.9120 3.256628 1248.183       63.53715 1232.250       70.61887 1315.883       145.5707 100.6551 2.899898 103.1689 5.832074 -2.513779      6.513255 
1 1 1 11  9  18 o 74.02563 3.864111 661.9037       51.18631 652.9160       55.85894 708.9828       127.8446 73.14214 3.156623 74.90913 7.054159 -1.766991      7.728223 
1 1 1 11  9  19 o 85.04977 3.858105 968.1962       61.98708 1011.715       69.80701 805.9489       134.7878 90.88247 3.174802 79.21709 7.032817 11.66538       7.716209 
1 1 1 11  9  20 o 36.21090 6.544994 198.5739       50.93538 209.3920       56.31311 149.9108       119.4357 40.42902 5.757236 31.99279 11.75594 8.436232       13.08999 
1 1 1 11  11 0  o 81.51224 3.922667 803.9317       77.35825 803.9317       77.35825 0.000000       0.000000 81.51224 3.922667 ?        ?        ?              ?        
1 1 1 11  11 1  o 778.0607 9.627174 73382.57       1810.935 71938.25       2505.020 74963.75       2621.014 770.0753 13.44546 786.0460 13.78222 -15.97076      19.25435 
1 1 1 11  11 2  f 422.8230 7.671364 21647.99       784.7540 0.000000       0.000000 21647.99       784.7540 ?        ?        422.8230 7.671364 ?              ?        
1 1 1 11  11 3  o 814.4001 10.06112 80417.05       1980.005 78291.31       2721.431 82807.85       2886.120 803.0287 14.00761 825.7715 14.44615 -22.74280      20.12224 
1 1 1 11  11 4  o 243.2828 3.448402 7160.031       202.8900 7039.341       282.1853 7289.193       291.9221 241.1627 4.836398 245.4030 4.916826 -4.240295      6.896805 
1 1 1 11  11 5  o 282.4125 3.848218 9649.218       262.7722 9438.179       363.9659 9878.981       379.7697 279.1925 5.388336 285.6324 5.495541 -6.439941      7.696436 
1 1 1 11  11 6  o 390.7827 5.054313 18513.74       477.8553 18567.97       677.4169 18460.03       674.1735 391.3514 7.154625 390.2139 7.141125 1.137482       10.10863 
1 1 1 11  11 7  o 153.9581 2.636685 2869.451       98.20846 2868.962       138.3236 2869.948       139.4588 153.9454 3.713877 153.9709 3.743734 -0.2552795E-01 5.273369 
1 1 1 11  11 8  o 215.2163 3.875267 5727.904       194.2977 6088.948       248.3002 5157.645       312.0564 224.2046 4.577521 206.2280 6.254364 17.97661       7.750534 
1 1 1 11  11 9  o 360.2145 4.701976 15746.51       409.7508 15864.56       583.2357 15631.44       575.7864 361.5444 6.667763 358.8847 6.631384 2.659729       9.403953 
1 1 1 11  11 10 o 297.9635 4.015612 10768.85       289.4709 10719.90       407.5354 10818.69       411.2372 297.2821 5.666231 298.6450 5.691607 -1.362915      8.031224 
1 1 1 11  11 11 o 168.2856 2.781572 3420.251       113.0684 3639.087       165.5993 3229.134       154.7565 173.3114 3.949382 163.2597 3.918029 10.05162       5.563143 
1 1 1 11  11 12 o 160.1458 2.737328 3106.585       105.9941 3065.038       146.9651 3151.623       153.0144 159.0344 3.819625 161.2572 3.922031 -2.222794      5.474656 
1 1 1 11  11 13 o 260.5896 3.648580 8253.996       230.0268 8276.671       324.8412 8231.191       325.7749 260.9521 5.145268 260.2271 5.174432 0.7249451      7.297159 
1 1 1 11  11 14 o 132.0932 2.585718 2117.851       82.61750 2178.628       117.4272 2058.278       116.2591 133.9739 3.622817 130.2126 3.690385 3.761276       5.171435 
1 1 1 11  11 15 o 82.95262 3.627826 881.9964       55.54839 906.4041       61.71637 777.8703       127.4726 86.41104 2.952085 79.49421 6.627947 6.916832       7.255652 
1 1 1 11  11 16 o 54.28156 4.716361 371.7232       45.68092 374.9365       50.09421 355.8596       111.3051 55.45222 3.733931 53.11090 8.662217 2.341320       9.432722 
1 1 1 11  11 17 o 23.87555 6.115592 67.11653       40.74632 80.99283       43.98240 -16.90660      108.2285 25.03036 6.993062 22.72073 10.03489 2.309626       12.23118 
1 1 1 11  11 18 o 43.42976 6.091463 331.4367       48.61356 377.2405       53.73218 124.8067       114.1249 55.36865 4.011144 31.49086 11.50367 23.87779       12.18293 
1 1 1 11  11 19 o 67.61534 4.421159 579.3831       55.40427 576.3357       61.25057 593.0994       129.9455 68.33263 3.704928 66.89806 8.028704 1.434570       8.842318 
1 1 1 11  11 20 o 54.97478 6.886936 551.8013       90.93448 832.0048       117.1639 127.3052       144.2095 79.80811 6.067983 30.14145 12.36524 49.66666       13.77387 
1 1 1 11  13 0  o 379.6108 4.934522 17445.89       453.0382 17722.14       651.0941 17186.62       630.7746 382.5189 7.035398 376.7027 6.921070 5.816193       9.869043 
1 1 1 11  13 1  o 261.0969 3.653947 8203.328       229.8668 7739.331       308.5165 8782.328       344.6357 252.8517 5.043247 269.3420 5.288759 -16.49031      7.307894 
1 1 1 11  13 2  o 343.6144 4.531770 14253.88       375.8171 13664.99       510.3108 14951.77       555.5359 335.8938 6.279580 351.3350 6.535644 -15.44122      9.063540 
1 1 1 11  13 3  o 110.7676 2.600729 1485.186       69.67018 1493.844       97.36317 1476.102       99.73672 111.0993 3.622274 110.4359 3.732867 0.6633759      5.201458 
1 1 1 11  13 4  o 100.1876 2.631958 1213.441       63.75604 1165.261       88.37842 1265.722       92.06377 98.11661 3.723072 102.2587 3.721228 -4.142059      5.263915 
1 1 1 11  13 5  o 215.5427 3.196595 5618.631       166.5693 5813.681       241.3762 5441.298       230.1534 219.1077 4.553386 211.9776 4.487712 7.130096       6.393191 
1 1 1 11  13 6  o 109.6651 2.559150 1456.104       67.88881 1446.207       96.67511 1465.733       95.35700 109.2965 3.655999 110.0336 3.581994 -0.7371140     5.118301 
1 1 1 11  13 7  o 271.3286 3.741771 8919.741       245.5717 9059.616       351.8542 8786.896       342.9006 273.3992 5.319406 269.2581 5.263773 4.141083       7.483541 
1 1 1 11  13 8  o 144.9440 2.673495 2537.167       93.59942 2667.300       137.2518 2424.033       127.9739 148.4070 3.822621 141.4811 3.738699 6.925888       5.346990 
1 1 1 11  13 9  o 299.0851 4.045028 10851.54       292.6970 10862.15       413.8185 10840.92       414.0537 299.2321 5.716095 298.9381 5.724967 0.2939148      8.090055 
1 1 1 11  13 10 o 301.6358 4.075224 11036.28       297.2767 11258.35       427.8845 10829.08       413.3193 304.5597 5.807000 298.7120 5.719141 5.847656       8.150449 
1 1 1 11  13 11 o 278.9684 3.840251 9448.375       259.1884 9466.909       367.1029 9429.953       365.9951 279.2406 5.433841 278.6961 5.428028 0.5445251      7.680502 
1 1 1 11  13 12 o 149.1004 3.867164 2696.241       139.4999 0.000000       0.000000 2696.241       139.4999 ?        ?        149.1004 3.867164 ?              ?        
1 1 1 11  13 13 o 98.96445 2.617974 1186.755       62.61911 1263.039       90.47542 1116.615       86.75526 102.0153 3.665752 95.91361 3.738637 6.101677       5.235947 
1 1 1 11  13 14 o 170.6920 2.870316 3541.709       118.4637 3687.293       171.0049 3407.376       164.2642 174.0603 4.060753 167.3238 4.057726 6.736435       5.740632 
1 1 1 11  13 15 o 61.40315 3.195897 461.2178       47.00583 550.1147       67.95699 379.6678       65.08833 67.12587 4.184484 55.68043 4.831681 11.44544       6.391795 
1 1 1 11  13 16 o 33.60185 6.031678 170.6015       53.83209 222.4520       62.91476 28.89946       104.0074 42.32099 6.144612 24.88271 10.38115 17.43828       12.06336 
1 1 1 11  13 17 o 57.70152 4.552852 336.9952       50.39182 292.7804       54.96284 570.1368       126.2105 48.68845 4.665959 66.71459 7.819378 -18.02614      9.105704 
1 1 1 11  13 18 o 74.91582 4.117324 679.6019       56.99732 663.5600       62.63100 756.9304       137.5088 73.46523 3.523751 76.36640 7.442622 -2.901176      8.234649 
1 1 1 11  13 19 o 25.98248 7.160021 56.21360       49.67109 38.31474       54.02288 154.0750       126.3196 19.77381 7.752111 32.19115 12.04028 -12.41734      14.32004 
1 1 1 11  13 20 f 45.13737 8.290336 339.7296       86.78867 316.3593       104.5795 391.4337       155.5523 44.91798 9.890884 45.35677 13.30748 -0.4387856     16.58067 
1 1 1 11  15 0  o 408.9371 5.275499 20212.09       520.5537 19355.97       705.7162 21233.79       770.9498 399.4958 7.301557 418.3784 7.616484 -18.88257      10.55100 
1 1 1 11  15 1  o 175.8047 2.899976 3739.690       123.3085 3841.478       177.0254 3643.756       171.8586 178.1268 4.107748 173.4827 4.094613 4.644196       5.799953 
1 1 1 11  15 2  o 341.7731 4.521810 14086.15       372.4708 13354.23       500.9063 14991.39       557.0641 331.9129 6.237780 351.6332 6.548065 -19.72031      9.043620 
1 1 1 11  15 3  o 70.04107 3.033819 594.0190       51.40639 603.5166       73.04164 584.6973       72.36235 70.59601 4.276495 69.48613 4.304396 1.109879       6.067639 
1 1 1 11  15 4  o 239.0605 3.430323 6921.657       198.3639 7018.830       283.9250 6828.999       277.2518 240.6974 4.875621 237.4237 4.826675 3.273712       6.860647 
1 1 1 11  15 5  f 238.8512 3.443460 6908.165       198.8959 6773.364       276.2455 7053.262       286.6028 236.4367 4.829232 241.2658 4.910008 -4.829163      6.886920 
1 1 1 11  15 6  o 90.54810 2.764905 993.4560       60.53828 1013.183       84.80408 972.9573       86.44772 91.46720 3.832208 89.62898 3.986601 1.838219       5.529810 
1 1 1 11  15 7  o 380.5013 4.954903 17585.55       456.1317 17629.57       646.6115 17541.95       643.5347 380.9735 7.015302 380.0291 6.999270 0.9443359      9.909805 
1 1 1 11  15 8  o 171.8792 2.894520 3579.251       120.3635 3591.796       170.8188 3566.882       169.6269 172.1778 4.100682 171.5806 4.086244 0.5972137      5.789040 
1 1 1 11  15 9  o 82.61188 2.917399 826.2606       58.28107 856.5802       83.97006 798.0782       80.95628 84.07265 4.128264 81.15110 4.123384 2.921555       5.834797 
1 1 1 11  15 10 o 148.4978 2.759803 2672.823       99.14909 2658.494       139.5962 2687.412       140.8482 148.0967 3.896063 148.8989 3.909826 -0.8022308     5.519605 
1 1 1 11  15 11 o 228.4157 3.360798 6337.618       185.7245 6360.363       263.0301 6315.003       262.2796 228.8248 4.751165 228.0067 4.754607 0.8181000      6.721596 
1 1 1 11  15 12 o 204.0151 3.143198 5059.358       155.1339 5141.402       220.5782 4979.056       218.2257 205.6543 4.433254 202.3760 4.457020 3.278290       6.286396 
1 1 1 11  15 13 o 43.23598 4.303308 229.5101       44.81550 257.0613       63.96783 202.9510       62.80553 45.81704 5.770751 40.65492 6.385317 5.162121       8.606616 
1 1 1 11  15 14 o 35.44528 5.172026 157.2084       42.57697 198.8576       66.14290 127.7396       55.63667 39.44921 7.195270 31.44134 7.431521 8.007868       10.34405 
1 1 1 11  15 15 o 111.7681 2.738878 1521.225       73.88514 1675.905       107.8264 1384.315       101.4442 117.1248 3.805168 106.4113 3.940369 10.71348       5.477756 
1 1 1 11  15 16 o 53.03335 3.990461 342.2344       50.08103 459.4084       76.73804 255.3020       66.09764 60.87529 5.210356 45.19141 6.045437 15.68388       7.980922 
1 1 1 11  15 17 o 70.83949 3.346517 619.0800       56.99828 724.4089       84.33710 530.5195       77.33303 76.41191 4.562000 65.26708 4.897433 11.14483       6.693034 
1 1 1 11  15 18 o 23.00702 6.509900 53.52545       53.63271 78.65903       59.52110 -54.97918      123.6710 24.48808 8.365177 21.52594 9.976924 2.962141       13.01980 
1 1 1 11  15 19 o 34.85981 7.427293 186.1782       58.17026 183.3155       63.59872 200.8329       143.8940 36.00751 7.542109 33.71210 12.79747 2.295403       14.85459 
1 1 1 11  17 0  o 236.8031 3.443874 6773.134       196.8800 7110.812       290.2616 6485.401       267.9371 242.2457 4.952577 231.3604 4.786758 10.88527       6.887748 
1 1 1 11  17 1  o 229.1860 3.369118 6359.551       186.7168 6503.404       269.3612 6226.495       259.0550 231.6758 4.805650 226.6962 4.723300 4.979645       6.738237 
1 1 1 11  17 2  o 399.4522 5.178586 19370.78       500.3315 19650.14       717.8296 19106.84       697.7487 402.2409 7.376202 396.6635 7.270670 5.577362       10.35717 
1 1 1 11  17 3  o 100.5891 2.779424 1225.394       67.63973 1234.035       95.90689 1216.842       95.40910 100.9420 3.927134 100.2361 3.934261 0.7058563      5.558848 
1 1 1 11  17 4  o 276.6047 3.835352 9271.258       256.5511 9083.933       356.3978 9472.716       369.5983 273.7119 5.381943 279.4976 5.465748 -5.785736      7.670704 
1 1 1 11  17 5  o 69.77509 3.300548 590.0369       55.70598 574.2869       78.49404 606.0187       79.06941 68.83570 4.713252 70.71447 4.621659 -1.878769      6.601097 
1 1 1 11  17 6  o 409.1683 5.302103 20350.13       524.6635 20701.28       754.8640 20021.97       729.7458 412.5625 7.562696 405.7740 7.433359 6.788513       10.60421 
1 1 1 11  17 7  o 187.4678 3.043987 4259.376       138.0586 4227.214       194.5898 4291.976       195.9057 186.7551 4.306707 188.1805 4.302987 -1.425430      6.087974 
1 1 1 11  17 8  o 23.17877 6.129629 48.05874       46.48741 62.12916       67.33221 35.24242       64.26150 24.61493 8.859049 21.74261 8.473880 2.872328       12.25926 
1 1 1 11  17 9  o 256.9240 3.659419 8018.024       227.4572 8108.872       323.4200 7929.113       319.9540 258.3641 5.174072 255.4838 5.176328 2.880264       7.318838 
1 1 1 11  17 10 o 64.29163 3.479975 502.9739       53.50398 607.8735       77.43450 407.1383       74.01350 70.73709 4.524650 57.84616 5.288519 12.89093       6.959949 
1 1 1 11  17 11 o 26.07694 5.600881 78.35245       43.46528 12.55374       63.96491 134.7980       59.24451 19.67872 8.169726 32.47517 7.663878 -12.79645      11.20176 
1 1 1 11  17 12 o 116.5378 2.811037 1651.931       79.18419 1683.321       114.8778 1623.517       109.2973 117.5799 4.038317 115.4956 3.911484 2.084358       5.622074 
1 1 1 11  17 13 o 20.79345 5.854033 20.29699       46.06064 61.80647       67.61477 -15.64566      62.91772 24.22272 8.853654 17.36418 7.661044 6.858534       11.70807 
1 1 1 11  17 14 o 149.9158 2.861391 2735.575       103.5020 2954.387       153.3469 2552.482       140.2732 155.3800 4.079223 144.4515 4.013750 10.92851       5.722783 
1 1 1 11  17 15 o 84.79077 3.071149 882.1946       62.78371 990.5050       91.24155 784.7921       86.52521 89.76608 4.201246 79.81546 4.480777 9.950623       6.142299 
1 1 1 11  17 16 o 20.88005 5.514625 -8.728537      47.38927 111.6199       70.29666 -108.9822      64.16004 28.83418 9.049983 12.92591 6.304137 15.90828       11.02925 
1 1 1 11  17 17 o 28.12554 6.480977 109.1510       51.41290 85.78128       74.80933 130.0686       70.77586 25.86445 9.334193 30.38662 8.993613 -4.522163      12.96195 
1 1 1 11  17 18 o 28.90161 6.636364 120.5818       53.70751 159.9695       80.79776 89.40163       71.88829 32.41504 9.612798 25.38819 9.152018 7.026850       13.27273 
1 1 1 11  19 0  o 207.5898 3.217430 5195.446       161.1165 4876.883       217.8864 5579.786       239.3261 200.6097 4.489272 214.5698 4.610192 -13.96008      6.434861 
1 1 1 11  19 1  o 165.2004 2.919337 3306.261       116.6777 3285.994       164.3421 3326.859       165.6805 164.6902 4.124571 165.7106 4.132556 -1.020401      5.838674 
1 1 1 11  19 2  o 160.4438 2.935610 3093.103       113.4771 3447.838       169.7800 2806.680       152.5593 168.6886 4.160047 152.1990 4.143094 16.48965       5.871219 
1 1 1 11  19 3  o 140.2093 2.852560 2379.029       96.70567 2296.449       134.0057 2468.771       139.6967 137.6739 4.023178 142.7447 4.045050 -5.070770      5.705120 
1 1 1 11  19 4  o 117.1756 2.834354 1664.482       80.30901 1716.654       113.1381 1611.499       114.0151 119.0310 3.928679 115.3202 4.086530 3.710777       5.668707 
1 1 1 11  19 5  o 297.4345 4.072337 10730.51       292.8347 11038.20       424.0945 10450.13       404.8380 301.4945 5.814080 293.3746 5.703698 8.119904       8.144673 
1 1 1 11  19 6  o 275.1943 3.849504 9191.346       256.2113 9400.193       368.2742 8995.442       356.6789 278.2168 5.471238 272.1717 5.416667 6.045074       7.699008 
1 1 1 11  19 7  o 206.4913 3.201944 5164.189       159.7859 5415.140       232.6871 4940.255       219.8055 211.2248 4.553289 201.7579 4.503037 9.466858       6.403888 
1 1 1 11  19 8  o 126.5650 2.768022 1943.162       84.73550 1918.843       118.1849 1968.888       121.5543 125.7534 3.884545 127.3766 3.944374 -1.623283      5.536043 
1 1 1 11  19 9  o 110.0668 2.812938 1471.653       74.89548 1496.688       105.7391 1446.448       106.0982 111.0109 3.937023 109.1227 4.018746 1.888168       5.625875 
1 1 1 11  19 10 o 100.3234 2.901965 1221.213       70.32442 1318.389       102.3756 1134.389       96.76861 104.0973 4.064945 96.54959 4.142683 7.547676       5.803930 
1 1 1 11  19 11 o 183.9165 3.076351 4122.365       136.7769 4261.210       198.3377 3996.455       188.8727 186.8520 4.387381 180.9810 4.313542 5.871017       6.152703 
1 1 1 11  19 12 o 76.40405 3.288215 713.4768       60.70720 755.6974       88.46925 675.9058       83.45583 78.53368 4.656226 74.27443 4.644244 4.259254       6.576431 
1 1 1 11  19 13 o 81.18027 3.206717 807.2249       62.80600 838.6445       92.99668 780.8763       85.16176 82.59590 4.653789 79.76463 4.412980 2.831268       6.413434 
1 1 1 11  19 14 o 96.40566 3.130913 1137.736       72.75587 1277.064       107.8183 1021.249       98.58519 101.8079 4.377324 91.00341 4.477666 10.80450       6.261826 
1 1 1 11  19 15 o 84.08029 3.387082 881.2408       68.77982 835.9694       98.25229 924.7449       96.31534 81.87418 4.960134 86.28641 4.613715 -4.412224      6.774164 
1 1 1 11  19 16 o 41.51087 6.040790 239.0425       58.62525 268.0743       85.29771 213.0499       80.70966 44.09853 8.299427 38.92321 8.779753 5.175312       12.08158 
1 1 1 11  19 17 o 42.43941 6.060188 260.5819       60.06446 255.3862       85.83129 265.5682       84.08364 41.86218 8.756116 43.01664 8.380569 -1.154461      12.12038 
1 1 1 11  21 0  o 186.7308 3.095715 4223.306       139.7379 4121.334       192.9019 4335.899       202.7006 184.3670 4.324649 189.0946 4.430712 -4.727600      6.191429 
1 1 1 11  21 1  o 155.9136 2.939306 2944.505       110.8066 2876.960       153.4739 3018.053       160.1475 154.0507 4.117831 157.7766 4.195419 -3.725861      5.878611 
1 1 1 11  21 2  o 307.2191 4.193390 11464.58       311.5583 11704.69       448.4731 11240.61       433.1465 310.3157 5.973520 304.1225 5.886863 6.193176       8.386781 
1 1 1 11  21 3  o 139.1491 2.909209 2346.957       97.91482 2414.923       140.1871 2282.217       136.8192 141.1159 4.106103 137.1824 4.122365 3.933472       5.818418 
1 1 1 11  21 4  o 169.5395 2.983491 3488.246       122.3463 3568.619       172.7344 3407.333       173.3148 171.5064 4.162901 167.5726 4.274943 3.933823       5.966983 
1 1 1 11  21 5  o 48.86412 4.493597 290.9028       53.09116 305.5708       76.07362 276.9753       74.12862 50.06858 6.280100 47.65966 6.428841 2.408920       8.987194 
1 1 1 11  21 6  o 58.77447 3.995298 420.6325       56.77727 441.9055       81.37209 400.4495       79.25994 60.22654 5.584512 57.32241 5.715142 2.904129       7.990596 
1 1 1 11  21 7  f 43.89423 6.997484 251.6973       69.06019 265.7180       82.70015 219.3932       125.5303 46.51768 7.348283 41.27079 11.91058 5.246891       13.99497 
1 1 1 11  21 8  o 57.28897 4.388275 395.7308       59.34201 535.6385       89.98018 288.0399       78.94335 66.17138 5.620492 48.40656 6.740763 17.76482       8.776549 
1 1 1 11  21 9  o 136.6876 2.906937 2250.920       95.52352 2625.423       143.6458 1954.010       127.9020 146.7786 4.045085 126.5965 4.175932 20.18212       5.813873 
1 1 1 11  21 10 o 118.4291 2.872487 1704.086       82.05409 1899.953       120.4431 1534.443       112.0906 124.7681 3.990030 112.0900 4.133328 12.67809       5.744975 
1 1 1 11  21 11 o 64.41593 3.740891 512.8347       58.14262 545.7929       81.32823 478.3797       83.15432 66.59238 5.047944 62.23949 5.522256 4.352890       7.481781 
1 1 1 11  21 12 o 38.48647 6.218757 198.7238       56.79118 223.3671       79.10532 172.5134       81.58161 41.16915 8.229731 35.80380 9.325412 5.365345       12.43751 
1 1 1 11  21 13 o 57.20657 4.377151 409.4985       60.38047 451.3986       89.73825 374.8368       81.61972 59.86052 6.196334 54.55261 6.184111 5.307915       8.754301 
1 1 1 11  21 14 o 59.62001 4.263087 451.3443       61.48683 446.9156       86.27492 455.9156       87.65247 59.33156 6.010304 59.90847 6.047469 -0.5769043     8.526174 
1 1 1 11  21 15 o 53.46581 4.942527 377.1780       63.67216 409.7420       89.53348 343.8575       90.56750 56.03929 6.603748 50.89231 7.355597 5.146976       9.885054 
1 1 1 11  21 16 o 55.33865 5.423984 432.3534       68.31116 539.0537       96.11072 323.4224       97.11017 63.75910 6.230565 46.91819 8.880228 16.84090       10.84797 
1 1 1 11  23 0  o 175.1284 3.045197 3723.992       128.9967 3819.828       184.6376 3632.609       180.2975 177.3290 4.303659 172.9278 4.309458 4.401230       6.090394 
1 1 1 11  23 1  o 232.4439 3.467512 6553.092       194.6493 6890.742       285.9922 6261.700       265.6802 237.9889 4.967011 226.8989 4.839769 11.09001       6.935024 
1 1 1 11  23 2  o 46.13040 5.280825 267.4411       56.50830 328.3245       80.49918 208.2941       79.34297 51.83461 6.419029 40.42620 8.387163 11.40841       10.56165 
1 1 1 11  23 3  o 52.65119 4.441830 338.9205       56.55927 340.1115       81.18688 337.7975       78.83856 52.73369 6.363490 52.56868 6.198824 0.1650085      8.883660 
1 1 1 11  23 4  o 65.12903 3.773708 515.6451       59.34578 558.1154       87.01945 478.7167       81.14351 67.62838 5.318450 62.62967 5.355146 4.998711       7.547417 
1 1 1 11  23 5  o 82.15788 3.275615 820.0666       64.99676 874.7819       95.32518 772.5277       88.85420 84.70766 4.651389 79.60810 4.613371 5.099564       6.551229 
1 1 1 11  23 6  o 37.79840 5.530976 196.4119       52.67029 57.53130       77.27542 316.9114       71.98024 24.78287 9.385390 50.81394 5.855017 -26.03106      11.06195 
1 1 1 11  23 7  o 74.20253 3.785822 674.2999       66.92751 683.3912       104.4127 667.9595       87.19641 74.53692 5.790011 73.86813 4.879094 0.6687851      7.571644 
1 1 1 11  23 8  o 84.77789 3.480392 867.1099       70.75972 1003.755       109.1223 767.9647       92.95053 90.42841 4.987768 79.12737 4.855376 11.30105       6.960783 
1 1 1 11  23 9  o 83.52206 3.460531 852.4951       69.51965 992.6602       102.4401 732.8316       94.65228 89.89669 4.710036 77.14743 5.071160 12.74926       6.921062 
1 1 1 11  23 10 o 54.26913 4.795460 376.4861       61.61472 326.5458       93.00930 415.5422       82.25174 50.75629 7.574155 57.78197 5.883698 -7.025681      9.590919 
1 1 1 11  23 11 o 78.53600 3.579498 765.0880       67.95164 811.5499       97.39854 721.0271       94.84845 80.89088 4.976805 76.18113 5.146127 4.709747       7.158995 
1 1 1 11  23 12 o 49.44951 5.784973 339.3696       63.42871 176.8195       88.88382 508.0436       90.54266 35.46705 9.952645 63.43197 5.899873 -27.96492      11.56995 
1 1 1 11  23 13 o 48.57308 5.447012 317.9431       61.75845 349.4726       84.77627 282.2894       90.15054 51.91179 6.750035 45.23438 8.550836 6.677402       10.89402 
1 1 1 11  23 14 o 86.13921 3.622706 946.5040       75.38838 884.3006       105.9526 1010.288       107.2906 83.14578 5.267069 89.13264 4.975336 -5.986855      7.245411 
1 1 1 11  23 15 o 48.70208 6.383687 361.6934       72.10288 424.0942       98.52036 289.7210       105.8069 55.13696 7.385516 42.26720 10.41441 12.86976       12.76737 
1 1 1 11  25 0  o 253.2449 3.697669 7800.727       225.6281 8414.312       338.3028 7309.130       302.8116 262.0943 5.335138 244.3956 5.121261 17.69875       7.395337 
1 1 1 11  25 1  o 22.03777 6.280677 24.40121       53.50640 -17.26072      79.49987 58.90086       72.34425 19.64119 8.640912 24.43436 9.117142 -4.793177      12.56135 
1 1 1 11  25 2  o 32.47189 6.375957 136.4773       53.74772 88.99406       77.31764 180.8805       74.76797 27.61524 9.530129 37.32854 8.472778 -9.713303      12.75191 
1 1 1 11  25 3  o 53.05898 4.538110 342.7848       57.77625 409.8398       87.41763 290.7751       76.98834 57.62542 6.270218 48.49253 6.562174 9.132881       9.076220 
1 1 1 11  25 4  o 46.22331 5.195407 274.6645       55.58615 229.2828       81.66745 313.8351       75.87334 42.05770 8.320698 50.38893 6.223745 -8.331230      10.39081 
1 1 1 11  25 5  o 30.91100 6.390642 112.5778       54.16140 192.6236       82.44462 51.80345       71.83778 38.22786 9.053726 23.59415 9.021710 14.63371       12.78128 
1 1 1 11  25 6  o 96.79622 3.190347 1136.014       74.25791 1317.483       111.7655 992.5964       99.35900 103.6530 4.456801 89.93941 4.566199 13.71362       6.380694 
1 1 1 11  25 7  o 162.6509 3.080388 3233.623       120.9152 3453.982       178.8835 3048.238       164.0744 167.7017 4.408905 157.6001 4.303107 10.10156       6.160777 
1 1 1 11  25 8  o 64.97574 4.407102 531.3109       68.78088 462.5997       97.62350 599.0381       96.92200 60.62792 6.655480 69.32355 5.778822 -8.695625      8.814204 
1 1 1 11  25 9  o 77.54963 3.644663 747.8001       68.32822 759.4793       98.89509 737.1326       94.51503 78.09504 5.234184 77.00422 5.073224 1.090820       7.289326 
1 1 1 11  25 10 o 28.13195 6.937040 102.5217       58.06314 96.50819       82.90359 108.3113       81.34592 27.61041 9.841477 28.65348 9.779337 -1.043074      13.87408 
1 1 1 11  25 11 o 26.87879 6.808251 85.23911       61.03447 18.42018       88.86007 144.9178       83.97820 21.86442 9.378053 31.89316 9.872248 -10.02874      13.61650 
1 1 1 11  25 12 f 64.86431 4.570193 552.8146       71.31448 597.8030       99.09859 504.4915       102.7059 67.93082 6.029737 61.79781 6.869421 6.133007       9.140387 
1 1 1 11  25 13 o 26.28015 7.020569 75.33737       68.49326 -16.35985      94.55773 176.5604       99.34788 19.67371 8.972157 32.88658 10.80065 -13.21286      14.04114 
1 1 1 11  27 0  f 84.00354 3.540188 864.6134       71.64481 984.5194       105.2809 761.1910       97.77688 89.44102 4.865309 78.56607 5.143975 10.87495       7.080375 
1 1 1 11  27 1  o 98.14474 3.190823 1182.392       75.65147 1273.361       108.3933 1095.994       105.6347 101.8603 4.398404 94.42919 4.623791 7.431091       6.381646 
1 1 1 11  27 2  o 87.33231 3.461917 934.5555       72.87901 1002.424       108.9082 879.5186       98.07404 90.15485 4.993087 84.50977 4.796725 5.645081       6.923834 
1 1 1 11  27 3  o 86.73141 3.502873 925.6929       73.38440 997.0884       107.0566 862.4122       100.7891 89.88715 4.922815 83.57568 4.984615 6.311478       7.005747 
1 1 1 11  27 4  o 68.47073 4.041859 576.0561       66.43861 685.0325       100.1917 490.5286       88.76023 74.22025 5.579653 62.72120 5.849271 11.49905       8.083718 
1 1 1 11  27 5  o 65.57536 4.179022 534.3817       65.91070 572.2179       99.89746 505.2139       87.71069 67.53970 6.113544 63.61103 5.699252 3.928669       8.358044 
1 1 1 11  27 6  o 28.41459 7.102978 100.7235       59.99929 103.0065       96.03093 99.26160       76.84416 28.98329 10.55777 27.84588 9.504881 1.137407       14.20596 
1 1 1 11  27 7  o 50.47079 5.297513 328.9698       64.55783 301.8282       89.20693 358.8150       93.54456 48.22112 7.646436 52.72047 7.333935 -4.499352      10.59503 
1 1 1 11  27 8  o 65.19525 6.101304 565.3797       95.91529 622.6056       142.6366 518.1440       129.5896 68.17233 8.648093 62.21817 8.608956 5.954166       12.20261 
1 1 1 11  27 9  o 39.95580 7.100344 232.2237       68.39046 254.2743       101.5578 213.9265       92.51141 41.63256 10.16992 38.27904 9.911219 3.353519       14.20069 
1 1 1 11  27 10 o 19.39058 6.382714 -49.01635      70.82250 -54.20002      90.66949 -40.90422      113.4252 18.02815 8.418509 20.75301 9.596086 -2.724863      12.76543 
1 1 1 11  27 11 o 31.34125 8.681315 162.3853       94.29290 198.3343       148.5596 138.1321       122.0230 33.13665 12.89260 29.54584 11.62935 3.590815       17.36263 
1 1 1 11  27 12 o 34.08769 8.119850 217.6975       95.82808 49.29209       143.2919 353.9560       128.8918 24.36655 11.08615 43.80883 11.86698 -19.44227      16.23970 
1 1 1 11  29 0  o 90.89634 3.496487 1026.693       76.79968 1082.424       111.9418 977.1335       105.5612 93.21117 4.963888 88.58151 4.925595 4.629654       6.992973 
1 1 1 11  29 1  o 58.12946 5.363958 446.8485       73.33566 493.5106       96.98078 384.5330       112.0732 62.29161 6.435079 53.96731 8.583587 8.324295       10.72792 
1 1 1 11  29 2  o 58.37550 6.272521 446.7616       87.53259 502.6770       137.1464 408.3284       113.7030 61.16020 9.268578 55.59079 8.454083 5.569405       12.54504 
1 1 1 12  0  0  o 175.0806 2.668090 3714.061       159.6615 3714.061       159.6615 3714.061       159.6615 175.0806 3.773248 175.0806 3.773248 0.000000       0.000000 
1 1 1 12  0  1  o 531.9797 6.679321 34312.66       1214.887 34312.66       1214.887 34312.66       1214.887 531.9797 9.445986 531.9797 9.445986 0.000000       0.000000 
1 1 1 12  0  2  o 375.6931 4.841434 17102.19       621.8694 17102.19       621.8694 17102.19       621.8694 375.6931 6.846821 375.6931 6.846821 0.000000       0.000000 
1 1 1 12  0  3  o 176.6668 2.689998 3781.458       162.4313 3781.458       162.4313 3781.458       162.4313 176.6668 3.804232 176.6668 3.804232 0.000000       0.000000 
1 1 1 12  0  4  o 168.2841 2.617141 3431.168       150.5265 3431.168       150.5265 3431.168       150.5265 168.2841 3.701196 168.2841 3.701196 0.000000       0.000000 
1 1 1 12  0  5  o 760.7170 9.394834 70154.24       2443.603 70154.24       2443.603 70154.24       2443.603 760.7170 13.28630 760.7170 13.28630 0.000000       0.000000 
1 1 1 12  0  6  o 1187.023 14.55571 171076.9       5907.657 171076.9       5907.657 171076.9       5907.657 1187.023 20.58488 1187.023 20.58488 0.000000       0.000000 
1 1 1 12  0  7  f 418.9218 5.344381 21259.52       765.4711 21259.52       765.4711 21259.52       765.4711 418.9218 7.558096 418.9218 7.558096 0.000000       0.000000 
1 1 1 12  0  8  o 285.5670 3.835847 9878.496       374.4839 9878.496       374.4839 9878.496       374.4839 285.5670 5.424707 285.5670 5.424707 0.000000       0.000000 
1 1 1 12  0  9  o 221.7843 3.163518 5959.640       239.8388 5959.640       239.8388 5959.640       239.8388 221.7843 4.473890 221.7843 4.473890 0.000000       0.000000 
1 1 1 12  0  10 o 377.5267 4.872634 17279.62       628.9301 17279.62       628.9301 17279.62       628.9301 377.5267 6.890945 377.5267 6.890945 0.000000       0.000000 
1 1 1 12  0  11 o 75.42181 2.178086 691.7754       55.99377 691.7754       55.99377 691.7754       55.99377 75.42181 3.080278 75.42181 3.080278 0.000000       0.000000 
1 1 1 12  0  12 o 169.8176 2.693841 3495.762       156.3430 3495.762       156.3430 3495.762       156.3430 169.8176 3.809667 169.8176 3.809667 0.000000       0.000000 
1 1 1 12  0  13 o 369.5454 4.798500 16572.73       606.2619 16572.73       606.2619 16572.73       606.2619 369.5454 6.786104 369.5454 6.786104 0.000000       0.000000 
1 1 1 12  0  14 f 392.5314 5.066060 18715.09       679.8852 18715.09       679.8852 18715.09       679.8852 392.5314 7.164490 392.5314 7.164490 0.000000       0.000000 
1 1 1 12  0  15 o 80.91421 2.452208 797.2192       67.60533 797.2192       67.60533 797.2192       67.60533 80.91421 3.467946 80.91421 3.467946 0.000000       0.000000 
1 1 1 12  0  16 o 65.67366 2.620121 527.7041       58.44621 527.7041       58.44621 527.7041       58.44621 65.67366 3.705410 65.67366 3.705410 0.000000       0.000000 
1 1 1 12  0  17 o 164.3666 2.726996 3284.494       153.1705 3284.494       153.1705 3284.494       153.1705 164.3666 3.856555 164.3666 3.856555 0.000000       0.000000 
1 1 1 12  0  18 o 86.27763 2.545685 908.9100       74.85099 908.9100       74.85099 908.9100       74.85099 86.27763 3.600142 86.27763 3.600142 0.000000       0.000000 
1 1 1 12  0  19 o 54.10515 3.509880 366.8064       63.71801 366.8064       63.71801 366.8064       63.71801 54.10515 4.963720 54.10515 4.963720 0.000000       0.000000 
1 1 1 12  0  20 o 34.15489 5.864151 168.4486       59.38838 168.4486       59.38838 168.4486       59.38838 34.15489 8.293161 34.15489 8.293161 0.000000       0.000000 
1 1 1 12  2  0  o 463.7396 5.862626 26030.67       657.0165 25307.16       903.5526 26842.45       957.0794 456.9254 8.173456 470.5538 8.406910 -13.62836      11.72525 
1 1 1 12  2  1  o 117.9457 2.513703 1688.146       62.13187 1692.891       71.80318 1674.004       123.9562 118.2874 2.509013 117.6039 4.356565 0.6834564      5.027405 
1 1 1 12  2  2  o 613.7435 8.779065 46225.41       1147.305 46760.56       1340.413 44759.07       2218.795 621.0683 8.920661 606.4187 15.12315 14.64960       17.55813 
1 1 1 12  2  3  o 185.5023 3.217960 4038.738       121.4818 3937.006       137.5868 4398.572       258.7625 180.3845 3.152646 190.6201 5.610872 -10.23561      6.435919 
1 1 1 12  2  4  o 472.7239 6.876208 27163.31       684.2282 27253.17       792.6780 26900.65       1355.211 474.4535 6.905591 470.9944 11.89293 3.459106       13.75242 
1 1 1 12  2  5  o 529.4791 7.740471 33309.70       834.1866 32766.71       946.8170 35193.34       1763.474 520.2509 7.522304 538.7073 13.53050 -18.45636      15.48094 
1 1 1 12  2  6  o 413.1927 6.121140 20447.45       521.5069 20245.19       596.1866 21106.48       1076.167 408.9960 6.025054 417.3894 10.65702 -8.393402      12.24228 
1 1 1 12  2  7  o 599.1559 8.608125 43630.76       1084.373 43736.61       1255.260 43319.45       2152.704 600.9394 8.633772 597.3723 14.89487 3.567078       17.21625 
1 1 1 12  2  8  o 441.7510 6.450189 23859.32       605.0466 24091.63       705.3650 23212.37       1177.088 446.0564 6.536147 437.4457 11.12198 8.610687       12.90038 
1 1 1 12  2  9  o 430.4079 6.406960 21945.01       558.3566 21518.68       631.9545 23462.22       1192.160 421.4597 6.197656 439.3560 11.21542 -17.89630      12.81392 
1 1 1 12  2  10 o 216.0484 3.618964 5479.019       158.1723 5341.530       178.7091 5976.205       339.8381 210.0651 3.516336 222.0317 6.326372 -11.96658      7.237928 
1 1 1 12  2  11 o 32.99690 4.627351 162.1685       27.36704 177.5289       30.22794 92.34979       64.44559 38.29504 3.262599 27.69876 8.660540 10.59628       9.254702 
1 1 1 12  2  12 o 250.0038 4.032547 7568.094       209.8824 7556.124       241.5346 7604.997       424.0966 249.7667 3.997077 250.2408 7.004937 -0.4741364     8.065095 
1 1 1 12  2  13 o 329.8114 5.014974 13392.22       351.9652 13586.63       411.3983 12861.39       679.8017 334.7202 5.080170 324.9026 8.648220 9.817596       10.02995 
1 1 1 12  2  14 o 250.7341 4.073885 7590.811       211.5864 7548.770       242.6992 7723.974       431.9386 249.5575 4.019716 251.9107 7.087174 -2.353134      8.147770 
1 1 1 12  2  15 o 174.0898 2.765647 3676.769       116.4842 3677.596       164.3379 3675.933       165.1322 174.1108 3.901303 174.0689 3.921103 0.4188538E-01  5.531294 
1 1 1 12  2  16 o 158.5774 2.659189 3048.878       101.9154 2932.867       140.2683 3178.606       148.3294 155.3931 3.731003 161.7618 3.790085 -6.368683      5.318377 
1 1 1 12  2  17 o 195.1645 2.994596 4645.887       141.3962 4650.180       199.6183 4641.564       200.3125 195.2585 4.225596 195.0704 4.244381 0.1880646      5.989193 
1 1 1 12  2  18 o 62.82860 2.951373 482.1290       44.82210 508.1815       64.95035 458.4406       61.93328 64.44762 4.165549 61.20958 4.182177 3.238041       5.902745 
1 1 1 12  2  19 o 48.47559 3.625986 291.4287       42.49007 282.2812       60.64082 300.2513       59.55400 47.69879 5.254790 49.25240 4.997827 -1.553612      7.251972 
1 1 1 12  2  20 o 16.99946 5.138980 -7.068132      39.29713 33.41961       57.30214 -43.01642      53.99433 19.96851 7.934371 14.03041 6.533164 5.938095       10.27796 
1 1 1 12  4  0  o 390.7881 5.012900 18471.94       473.4205 19050.50       689.5102 17955.93       651.1691 396.5613 7.186676 385.0149 6.990592 11.54642       10.02580 
1 1 1 12  4  1  o 364.4319 4.709271 16084.38       415.2144 16089.82       587.2419 16078.95       587.1617 364.4935 6.659245 364.3702 6.660587 0.1232605      9.418543 
1 1 1 12  4  2  o 306.4935 4.061580 11367.09       301.0761 11188.91       419.3394 11556.66       432.5391 304.0173 5.701184 308.9697 5.786383 -4.952393      8.123159 
1 1 1 12  4  3  o 175.6661 2.696900 3719.762       114.3725 3520.922       155.6398 3953.194       168.6350 170.5825 3.771238 180.7497 3.856273 -10.16728      5.393800 
1 1 1 12  4  4  o 389.4314 5.003627 18337.85       470.9893 17891.67       649.3762 18833.09       684.1418 384.4430 6.981714 394.4198 7.169437 -9.976837      10.00725 
1 1 1 12  4  5  o 423.5867 5.392514 21719.43       552.5953 21564.53       776.1072 21878.69       786.9819 422.0562 7.600622 425.1172 7.651625 -3.061035      10.78503 
1 1 1 12  4  6  o 405.6282 5.992850 19921.52       509.2051 19919.15       587.9308 19928.62       1018.663 405.6841 5.990125 405.5724 10.38149 0.1117249      11.98570 
1 1 1 12  4  7  o 787.9926 11.23445 75654.45       1861.767 75864.44       2155.956 75038.67       3691.999 791.0275 11.26538 784.9576 19.44075 6.069824       22.46891 
1 1 1 12  4  8  o 59.19116 2.859266 382.9367       33.07294 357.6663       36.58229 496.0143       77.38434 54.36979 2.781064 64.01254 4.996728 -9.642746      5.718532 
1 1 1 12  4  9  o 380.0090 5.668806 17512.68       450.5956 17508.51       519.9258 17525.28       903.1592 380.1811 5.652604 379.8368 9.827995 0.3442993      11.33761 
1 1 1 12  4  10 o 209.9988 3.535697 5454.419       157.9968 5584.448       185.0954 5105.294       303.2949 214.7814 3.562022 205.2162 6.108732 9.565155       7.071394 
1 1 1 12  4  11 o 190.1535 3.359786 4302.392       130.4507 4236.358       148.2989 4528.257       274.2711 187.0659 3.276731 193.2411 5.866488 -6.175171      6.719573 
1 1 1 12  4  12 o 155.2027 3.060840 2976.938       98.95603 3036.000       114.5388 2803.094       196.5074 158.3626 2.989493 152.0427 5.342088 6.319962       6.121681 
1 1 1 12  4  13 o 149.0447 3.093604 2754.211       94.82457 2812.544       109.1462 2574.658       191.4916 152.4138 2.959933 145.6755 5.433262 6.738251       6.187208 
1 1 1 12  4  14 o 111.5011 2.998244 1524.653       66.16575 1537.597       74.72973 1477.692       142.3444 112.6858 2.741080 110.3164 5.333323 2.369408       5.996487 
1 1 1 12  4  15 o 145.5783 3.269434 2566.901       105.6431 2554.920       126.2479 2594.884       192.9474 145.1382 3.595342 146.0184 5.461713 -0.8802643     6.538868 
1 1 1 12  4  16 o 78.88346 2.861868 754.7022       54.61827 754.7022       54.61827 0.000000       0.000000 78.88346 2.861868 ?        ?        ?              ?        
1 1 1 12  4  17 o 109.3159 3.051370 1353.086       64.53027 1288.552       71.40393 1640.690       150.7396 102.9993 2.865401 115.6324 5.388221 -12.63309      6.102741 
1 1 1 12  4  18 o 79.67957 2.724610 775.1164       52.49404 810.0995       75.56448 742.4866       72.97859 81.41896 3.836099 77.94019 3.870185 3.478775       5.449219 
1 1 1 12  4  19 o 19.42482 5.253652 27.40263       37.67677 -19.17880      56.88250 63.81303       50.29039 16.01038 7.160377 22.83925 7.689763 -6.828875      10.50730 
1 1 1 12  4  20 o 32.59674 8.066622 145.1142       63.27130 145.1142       63.27130 0.000000       0.000000 32.59674 8.066622 ?        ?        ?              ?        
1 1 1 12  6  0  o 381.8181 4.916457 17625.10       453.6071 17113.18       623.1517 18202.07       661.5649 375.9359 6.851374 387.7002 7.053004 -11.76428      9.832913 
1 1 1 12  6  1  o 451.3611 5.720129 24665.94       624.4419 25056.27       896.9416 24298.82       869.8690 454.8204 8.151207 447.9019 8.027285 6.918518       11.44026 
1 1 1 12  6  2  f 215.1552 3.100081 5599.604       161.3377 5702.320       231.0830 5501.915       225.3566 217.0793 4.399945 213.2311 4.368351 3.848190       6.200162 
1 1 1 12  6  3  o 1056.684 18.45408 136325.4       4715.782 134086.9       6554.967 138727.0       6789.458 1047.791 25.85792 1065.577 26.33590 -17.78564      36.90815 
1 1 1 12  6  4  o 364.3864 4.719468 16063.22       415.9033 15796.38       578.6114 16348.48       598.2314 361.2586 6.620129 367.5141 6.728106 -6.255493      9.438936 
1 1 1 12  6  5  o 428.9843 5.462183 22278.18       566.8726 22444.89       806.9235 22115.73       796.5352 430.5677 7.746197 427.4008 7.703131 3.166870       10.92437 
1 1 1 12  6  6  o 755.2498 9.334579 69194.78       1705.626 69386.44       2418.378 69005.09       2405.909 756.2878 13.21706 754.2118 13.18510 2.075989       18.66916 
1 1 1 12  6  7  o 472.1105 5.968138 26986.59       681.3292 26473.50       945.2520 27541.40       982.9427 467.4502 8.358146 476.7707 8.521506 -9.320496      11.93628 
1 1 1 12  6  8  o 378.4456 4.890822 17348.18       447.6896 17644.63       642.0386 17067.64       624.5798 381.5875 6.954481 375.3036 6.878645 6.283844       9.781644 
1 1 1 12  6  9  o 82.04379 2.727878 812.2266       43.89928 810.3619       49.28045 819.3932       96.61250 81.83437 2.489067 82.25322 4.854876 -0.4188461     5.455756 
1 1 1 12  6  10 f 200.0551 3.470821 4733.406       141.0421 4639.954       159.8201 5062.463       299.8970 195.7779 3.374159 204.3324 6.066421 -8.554581      6.941643 
1 1 1 12  6  11 o 193.1119 3.413063 4512.033       136.2952 4505.404       156.3483 4533.016       278.1722 192.9057 3.350009 193.3182 5.947558 -0.4125061     6.826127 
1 1 1 12  6  12 o 440.9278 6.485452 23605.93       691.8470 23605.93       691.8470 0.000000       0.000000 440.9278 6.485452 ?        ?        ?              ?        
1 1 1 12  6  13 o 286.3158 4.493677 10054.43       271.4746 10155.69       315.4975 9765.616       532.8161 289.4290 4.505588 283.2025 7.776388 6.226501       8.987354 
1 1 1 12  6  14 o 152.1737 3.161226 2798.376       96.94437 2789.203       109.9342 2830.458       205.5874 151.7425 2.994491 152.6049 5.568342 -0.8623199     6.322453 
1 1 1 12  6  15 o 160.9694 3.230168 3188.747       106.4055 3224.124       121.9037 3075.550       218.0614 163.0768 3.089741 158.8619 5.673573 4.214905       6.460336 
1 1 1 12  6  16 f 16.73710 5.373682 -23.52120      35.40493 -26.55208      38.89737 -8.880428      85.49049 12.49920 5.720940 20.97501 9.098167 -8.475810      10.74736 
1 1 1 12  6  17 f 78.35331 3.918716 710.9568       71.95238 579.4171       89.29809 954.4319       121.4901 68.66525 5.375301 88.04137 5.703637 -19.37611      7.837432 
1 1 1 12  6  18 o 121.9259 3.823297 1847.959       111.9355 1936.942       151.7695 1741.821       165.7546 125.3514 5.004414 118.5003 5.781543 6.851036       7.646594 
1 1 1 12  6  19 o 22.61718 6.552167 -1.277407      42.70936 -21.43563      46.09242 121.1184       113.5760 14.04490 6.349248 31.18946 11.46345 -17.14456      13.10433 
1 1 1 12  6  20 f 52.28421 5.536844 377.9784       60.33868 398.3826       72.23457 330.8745       109.7525 56.19955 5.312634 48.36887 9.716095 7.830685       11.07369 
1 1 1 12  8  0  o 446.9551 5.680245 24182.60       614.1213 23905.41       858.6566 24472.87       878.6871 444.3361 7.987403 449.5742 8.078497 -5.238129      11.36049 
1 1 1 12  8  1  o 207.5580 3.061009 5212.524       153.7044 5194.480       216.1759 5230.973       218.5857 207.1949 4.312468 207.9211 4.345312 -0.7261200     6.122019 
1 1 1 12  8  2  o 954.8687 11.75122 110334.1       2707.348 106111.1       3670.011 115376.0       4010.087 934.9692 16.22437 974.7680 17.00397 -39.79877      23.50244 
1 1 1 12  8  3  o 872.6882 10.75255 92340.74       2268.822 94251.00       3278.895 90585.95       3142.639 881.3110 15.37786 864.0655 15.03299 17.24554       21.50510 
1 1 1 12  8  4  o 204.1363 3.028172 5040.617       149.5165 4973.446       208.5904 5111.600       214.4268 202.7384 4.252615 205.5342 4.312140 -2.795822      6.056343 
1 1 1 12  8  5  o 837.7717 10.33666 85205.16       2095.104 85389.52       2969.155 85022.34       2956.735 838.6713 14.63318 836.8723 14.60330 1.799011       20.67332 
1 1 1 12  8  6  o 542.8031 6.805676 35690.65       893.3043 35039.78       1239.954 36393.00       1288.065 537.6716 9.532050 547.9346 9.716427 -10.26300      13.61135 
1 1 1 12  8  7  o 111.9041 2.380405 1510.853       64.30996 1656.230       93.59569 1380.836       88.51304 116.9889 3.306807 106.8192 3.424959 10.16966       4.760811 
1 1 1 12  8  8  o 311.6840 5.066002 11765.58       359.9904 11736.59       440.4674 11823.91       624.7402 311.2320 5.849615 312.1359 8.272817 -0.9039612     10.13200 
1 1 1 12  8  9  o 353.7491 4.618590 15165.83       395.0963 15501.47       569.4822 14854.35       548.6035 357.5129 6.583944 349.9852 6.478979 7.527679       9.237180 
1 1 1 12  8  10 o 155.7530 3.158341 2906.123       112.0610 3035.098       196.6114 2844.064       136.3818 158.2482 5.135322 153.2577 3.678170 4.990509       6.316681 
1 1 1 12  8  11 o 106.6374 3.063902 1374.927       72.57745 1370.638       86.80450 1384.890       132.3022 106.3945 3.372257 106.8803 5.116431 -0.4857483     6.127804 
1 1 1 12  8  12 o 114.5505 2.939924 1564.928       67.30376 1545.952       75.90163 1634.741       145.5846 113.0050 2.776202 116.0959 5.183177 -3.090912      5.879849 
1 1 1 12  8  13 o 127.6705 3.078497 1910.637       76.32439 1868.073       84.98853 2088.043       173.5108 124.2060 2.828235 131.1349 5.468973 -6.928963      6.156994 
1 1 1 12  8  14 o 138.1633 3.170330 2374.034       88.57061 2422.523       101.2021 2215.348       183.0773 141.3973 2.958327 134.9292 5.608232 6.468109       6.340660 
1 1 1 12  8  15 o 152.8700 3.261310 2880.926       100.2706 2911.449       114.0388 2776.918       210.5072 154.9357 3.042278 150.8042 5.769672 4.131485       6.522620 
1 1 1 12  8  16 o 109.9248 3.174099 1481.594       66.52449 1485.977       74.11162 1463.415       150.9319 110.6459 2.768526 109.2038 5.712696 1.442177       6.348198 
1 1 1 12  8  17 o 86.07793 3.446814 869.7559       54.12604 849.7214       59.18996 972.0405       133.7412 83.58756 2.926874 88.56831 6.241436 -4.980743      6.893628 
1 1 1 12  8  18 o 78.49869 3.603724 690.1508       52.02490 654.6805       56.69770 879.1196       130.8663 73.24328 3.199598 83.75410 6.458318 -10.51083      7.207447 
1 1 1 12  8  19 o 20.23395 6.038409 24.98715       41.87378 33.64414       45.70422 -20.26175      104.4905 18.78155 7.192536 21.68634 9.701388 -2.904795      12.07682 
1 1 1 12  8  20 o 75.57257 4.271484 728.8577       61.19090 725.7769       68.13570 741.7014       139.1194 76.57027 3.678004 74.57487 7.710680 1.995392       8.542968 
1 1 1 12  10 0  o 386.7503 4.998144 18074.68       467.0486 18693.77       682.1334 17528.31       640.8143 392.9698 7.174767 380.5308 6.960495 12.43903       9.996287 
1 1 1 12  10 1  o 652.0522 8.107582 51523.37       1278.907 51850.17       1822.749 51206.49       1794.869 654.0831 11.51839 650.0214 11.41308 4.061646       16.21516 
1 1 1 12  10 2  o 275.6525 4.612734 9245.957       292.0493 9042.237       495.8600 9354.161       361.3796 273.2871 7.499592 278.0178 5.372653 -4.730621      9.225469 
1 1 1 12  10 3  o 739.0300 12.96640 66215.91       2312.209 69256.40       3423.074 63664.49       3135.706 754.4901 18.75256 723.5700 17.91235 30.92010       25.93281 
1 1 1 12  10 4  o 601.0235 7.509308 43789.05       1091.921 43955.95       1547.165 43623.41       1541.272 602.1645 10.61987 599.8825 10.61966 2.281982       15.01862 
1 1 1 12  10 5  o 323.6235 4.295270 12630.66       335.3030 12062.79       453.4933 13315.48       498.0064 315.6383 5.938529 331.6088 6.207355 -15.97049      8.590541 
1 1 1 12  10 6  f 352.0292 4.598755 15011.51       391.6132 14861.48       548.1843 15167.88       559.6428 350.2361 6.469389 353.8224 6.537675 -3.586212      9.197510 
1 1 1 12  10 7  o 499.5174 6.309494 30251.09       761.5352 29389.18       1045.565 31224.95       1111.394 491.9810 8.784161 507.0538 9.059656 -15.07278      12.61899 
1 1 1 12  10 8  o 176.9634 3.467166 3781.385       139.0710 3758.796       169.0546 3828.673       244.6008 176.1920 3.965871 177.7348 5.688307 -1.542847      6.934333 
1 1 1 12  10 9  o 299.3256 4.018967 10850.47       290.7997 10573.83       401.3745 11156.12       421.8984 295.3223 5.617606 303.3290 5.748991 -8.006683      8.037934 
1 1 1 12  10 10 o 134.6258 2.516411 2194.700       81.96187 2195.243       116.0005 2194.158       115.8228 134.6424 3.561032 134.6093 3.556452 0.3311157E-01  5.032823 
1 1 1 12  10 11 o 374.8195 4.879363 17042.29       441.8999 17623.91       645.1203 16528.15       606.5438 380.8091 7.002144 368.8300 6.797256 11.97913       9.758725 
1 1 1 12  10 12 o 116.9679 2.524899 1657.286       71.44083 1698.496       101.5592 1616.919       100.5141 118.4084 3.545148 115.5275 3.596164 2.880920       5.049799 
1 1 1 12  10 13 o 132.7818 2.592376 2135.649       83.20623 2266.070       119.4130 2012.569       116.0038 136.7232 3.610000 128.8404 3.721499 7.882751       5.184752 
1 1 1 12  10 14 f 202.9738 3.638506 4944.073       149.9416 4885.794       170.2334 5145.747       316.6749 200.6800 3.506212 205.2675 6.376628 -4.587524      7.277012 
1 1 1 12  10 15 o 39.73708 6.098360 229.1921       40.19365 240.5074       43.00302 150.9816       113.0574 44.45845 3.997996 35.01570 11.52285 9.442749       12.19672 
1 1 1 12  10 16 o 155.5291 3.332256 3016.747       105.0391 3065.456       120.0616 2857.823       216.8679 158.7709 3.125583 152.2873 5.886123 6.483643       6.664511 
1 1 1 12  10 17 o 34.31288 5.380803 67.15340       39.06887 22.42000       42.21038 334.5628       103.2028 17.32017 6.832635 51.30558 8.314281 -33.98541      10.76161 
1 1 1 12  10 18 o 88.06362 3.526451 931.2466       59.58379 911.9825       66.18965 1013.563       136.8229 86.38763 3.166914 89.73961 6.301912 -3.351974      7.052903 
1 1 1 12  10 19 o 79.26839 4.335156 898.0691       61.54502 962.4178       68.97578 646.7579       136.3116 88.55016 3.219623 69.98663 8.050363 18.56352       8.670312 
1 1 1 12  10 20 o 30.85925 7.855049 95.09798       78.09703 6.983938       95.37871 274.3605       136.0422 21.31535 9.416955 40.40315 12.57490 -19.08780      15.71010 
1 1 1 12  12 0  o 659.3446 8.204214 52718.03       1308.688 52996.35       1860.306 52445.35       1841.368 661.0632 11.63159 657.6259 11.57336 3.437317       16.40843 
1 1 1 12  12 1  f 308.5565 5.860200 11524.81       437.4712 0.000000       0.000000 11524.81       437.4712 ?        ?        308.5565 5.860200 ?              ?        
1 1 1 12  12 2  o 399.3616 5.147476 19316.22       497.3442 19261.89       701.1808 19371.23       705.5412 398.7972 7.267342 399.9259 7.291898 -1.128662      10.29495 
1 1 1 12  12 3  f 408.2602 5.255842 20117.87       517.6387 19251.33       700.6354 21159.35       768.1121 398.6309 7.264718 417.8895 7.597327 -19.25861      10.51168 
1 1 1 12  12 4  o 278.5579 3.819406 9390.224       257.2797 9210.377       357.2121 9584.083       370.8689 275.7908 5.353578 281.3250 5.448912 -5.534210      7.638812 
1 1 1 12  12 5  o 173.5388 2.851551 3645.532       119.6973 3637.415       167.4396 3654.015       171.1774 173.3425 3.992552 173.7351 4.072457 -0.3925323     5.703103 
1 1 1 12  12 6  o 342.7567 4.511313 14239.48       374.0428 14079.54       523.3178 14406.53       534.8226 340.7933 6.347054 344.7202 6.412697 -3.926880      9.022627 
1 1 1 12  12 7  o 373.2515 4.855482 16897.11       438.3596 16654.39       611.7910 17153.20       628.4114 370.5044 6.825073 375.9985 6.908052 -5.494080      9.710963 
1 1 1 12  12 8  o 171.4962 3.396194 3578.813       134.3554 3513.385       226.2383 3614.460       166.9918 170.2360 5.493034 172.7563 3.995386 -2.520325      6.792388 
1 1 1 12  12 9  o 109.8162 2.527438 1460.840       67.12831 1491.079       94.43893 1429.959       95.43649 110.9670 3.517668 108.6653 3.630121 2.301666       5.054876 
1 1 1 12  12 10 o 188.0414 2.940235 4283.853       133.7481 4250.458       187.4612 4318.477       190.8820 187.2966 4.136939 188.7862 4.179193 -1.489532      5.880469 
1 1 1 12  12 11 o 215.4445 3.203449 5625.062       166.9273 5741.314       239.6635 5515.528       232.6351 217.6030 4.552340 213.2861 4.508275 4.316940       6.406898 
1 1 1 12  12 12 o 170.2175 2.840596 3513.210       116.9741 3567.481       166.2336 3459.981       164.6308 171.5207 4.005898 168.9143 4.028489 2.606354       5.681192 
1 1 1 12  12 13 o 87.98210 2.676246 939.8150       56.92223 982.5845       80.49650 897.0376       80.50388 89.99156 3.697200 85.97264 3.870386 4.018921       5.352492 
1 1 1 12  12 14 o 26.19134 5.104521 87.47460       35.96929 39.30199       53.48890 127.2413       48.59855 20.74062 7.819541 31.64206 6.563485 -10.90144      10.20904 
1 1 1 12  12 15 f 80.23367 4.384443 892.3177       69.42575 992.3762       80.95978 614.2772       134.9573 90.27355 3.706862 70.19378 7.946856 20.07977       8.768886 
1 1 1 12  12 16 o 95.48435 3.243881 1121.134       61.83105 1123.483       69.99529 1112.790       131.9218 96.08448 3.011018 94.88422 5.746723 1.200256       6.487761 
1 1 1 12  12 17 o 33.73740 6.206539 174.5781       44.56997 192.3244       48.04539 65.05651       119.3572 39.42712 5.036797 28.04768 11.34527 11.37943       12.41308 
1 1 1 12  12 18 o 48.40820 5.197906 246.9232       48.34343 216.0651       52.82601 405.9489       119.9214 41.56176 5.253534 55.25463 8.970690 -13.69287      10.39581 
1 1 1 12  12 19 o 34.43881 6.157001 202.3992       50.07019 232.1915       54.77284 50.91017       123.5104 42.78922 5.290889 26.08840 11.11940 16.70082       12.31400 
1 1 1 12  12 20 o 35.80691 7.697664 231.8592       83.57944 300.5354       101.5221 87.41225       147.2352 44.21442 9.752495 27.39939 11.91239 16.81503       15.39533 
1 1 1 12  14 0  f 192.3197 4.277784 4477.400       199.0421 0.000000       0.000000 4477.400       199.0421 ?        ?        192.3197 4.277784 ?              ?        
1 1 1 12  14 1  o 351.1259 4.616418 14939.56       392.1537 15013.45       557.2902 14867.08       551.9269 351.9844 6.544187 350.2673 6.512978 1.717102       9.232837 
1 1 1 12  14 2  o 419.0185 5.385924 21289.50       545.9105 21556.98       780.8573 21033.77       763.5031 421.5867 7.655656 416.4502 7.577840 5.136536       10.77185 
1 1 1 12  14 3  o 304.3642 4.104405 11224.59       302.2255 11183.67       425.3486 11266.31       429.5045 303.8055 5.786915 304.9229 5.822043 -1.117462      8.208811 
1 1 1 12  14 4  f 261.5483 3.650724 8283.674       230.9461 8438.710       331.4597 8137.396       321.9616 263.9236 5.190991 259.1730 5.134664 4.750549       7.301449 
1 1 1 12  14 5  o 169.9693 2.848362 3497.908       117.1241 3541.285       166.5626 3455.480       164.7296 171.0116 4.025776 168.9269 4.030606 2.084702       5.696723 
1 1 1 12  14 6  o 224.4997 3.298813 6105.804       179.1674 6138.698       254.7343 6073.599       252.0490 225.0972 4.677515 223.9022 4.652906 1.194946       6.597627 
1 1 1 12  14 7  o 32.52940 5.334063 133.4522       41.25611 151.4211       59.28600 116.5805       57.44735 34.66165 7.300291 30.39714 7.779118 4.264505       10.66813 
1 1 1 12  14 8  o 289.2296 3.942572 10144.33       275.8429 10023.91       386.1145 10269.85       394.2131 287.4803 5.551442 290.9790 5.599731 -3.498688      7.885144 
1 1 1 12  14 9  o 223.1144 3.282590 6033.402       177.1732 5964.639       248.2982 6104.729       252.8863 221.8211 4.626669 224.4077 4.657846 -2.586655      6.565181 
1 1 1 12  14 10 o 123.4852 2.678525 1844.902       79.94255 1964.019       115.3792 1734.920       110.8674 127.3153 3.745799 119.6551 3.829750 7.660156       5.357051 
1 1 1 12  14 11 o 148.0159 2.742048 2657.363       98.16093 2707.266       137.9475 2606.177       139.7104 149.4296 3.815706 146.6022 3.938997 2.827301       5.484097 
1 1 1 12  14 12 o 201.3527 3.111674 4921.458       151.5278 5073.666       217.8232 4778.732       210.9285 204.3662 4.405475 198.3392 4.395664 6.026993       6.223349 
1 1 1 12  14 13 o 257.3060 3.643205 8076.148       226.7917 8033.716       319.5023 8119.240       321.9759 256.6275 5.145985 257.9846 5.158546 -1.357086      7.286409 
1 1 1 12  14 14 o 23.46042 5.644559 55.80671       40.30245 99.55776       60.32869 20.54368       54.16135 28.00889 8.306441 18.91195 7.645080 9.096943       11.28912 
1 1 1 12  14 15 o 65.19073 3.264220 521.3665       51.41676 551.7919       72.73368 490.9734       72.69489 67.11855 4.479099 63.26292 4.749549 3.855629       6.528441 
1 1 1 12  14 16 o 98.12606 2.812714 1179.205       66.60436 1192.865       97.98841 1167.474       90.80663 98.61163 4.107185 97.64050 3.844017 0.9711304      5.625428 
1 1 1 12  14 17 o 23.04046 6.543511 47.53441       45.45712 53.11263       49.40447 16.75193       116.0566 21.39647 7.600377 24.68446 10.65385 -3.287987      13.08702 
1 1 1 12  14 18 o 48.00539 6.000584 237.9055       52.50096 200.2609       56.83279 456.9899       137.1051 39.62558 5.928174 56.38519 10.43479 -16.75961      12.00117 
1 1 1 12  14 19 o 22.52860 6.938697 -0.3006423     52.16067 -23.67275      56.68416 128.8519       133.2491 15.19770 6.937016 29.85950 12.01915 -14.66181      13.87739 
1 1 1 12  16 0  o 224.7196 3.312222 6115.356       180.0546 6029.156       252.1233 6205.081       257.2248 223.1046 4.670916 226.3345 4.697423 -3.229889      6.624443 
1 1 1 12  16 1  o 284.3458 3.905198 9790.786       268.4839 10021.14       388.1268 9579.424       371.7871 287.5447 5.579124 281.1469 5.465864 6.397827       7.810396 
1 1 1 12  16 2  o 326.5979 4.359534 12923.89       344.2618 13240.94       497.5720 12632.73       476.8108 330.4294 6.224077 322.7664 6.105981 7.662994       8.719068 
1 1 1 12  16 3  o 70.06327 3.105220 594.7209       52.62605 585.8593       74.77316 603.4193       74.08062 69.54487 4.444043 70.58167 4.338208 -1.036804      6.210441 
1 1 1 12  16 4  o 291.6014 3.976816 10306.52       280.4963 10152.73       391.5855 10468.58       401.9821 289.3717 5.593302 293.8310 5.654665 -4.459259      7.953631 
1 1 1 12  16 5  o 46.90804 4.294439 268.4846       48.41125 235.8001       69.08459 300.0202       67.85954 44.07744 6.478322 49.73863 5.639165 -5.661186      8.588879 
1 1 1 12  16 6  o 219.5847 3.287867 5843.471       174.6682 5805.369       246.4973 5881.896       247.5421 218.8652 4.655143 220.3040 4.644343 -1.438797      6.575735 
1 1 1 12  16 7  o 194.9841 4.350480 4607.361       205.2289 0.000000       0.000000 4607.361       205.2289 ?        ?        194.9841 4.350480 ?              ?        
1 1 1 12  16 8  o 171.9167 2.927677 3579.859       121.7345 3663.629       174.7822 3500.936       169.6497 173.8678 4.155044 169.9657 4.125624 3.902176       5.855353 
1 1 1 12  16 9  o 215.9510 3.264776 5648.628       170.4317 5866.375       247.2547 5451.517       235.2472 219.9063 4.647341 211.9958 4.586642 7.910492       6.529553 
1 1 1 12  16 10 o 162.8992 2.862961 3217.530       112.8009 3301.017       161.8517 3138.677       157.2950 164.9520 4.055620 160.8464 4.042046 4.105637       5.725923 
1 1 1 12  16 11 o 189.7717 3.034882 4373.454       139.2912 4310.762       193.9401 4440.247       200.1832 188.3746 4.255425 191.1689 4.328207 -2.794312      6.069763 
1 1 1 12  16 12 o 192.4796 3.075894 4507.228       143.1490 4590.173       206.8072 4430.932       198.3443 194.1638 4.402457 190.7954 4.296844 3.368378       6.151788 
1 1 1 12  16 13 f 66.08397 3.435324 530.0332       54.48670 633.1772       80.67085 443.5073       73.88696 71.98347 4.632138 60.18446 5.074359 11.79902       6.870649 
1 1 1 12  16 14 o 71.24908 3.211852 620.1624       55.23349 683.5595       80.33845 563.3365       76.06086 74.71120 4.444628 67.78697 4.637807 6.924225       6.423704 
1 1 1 12  16 15 o 166.9314 2.957863 3406.353       119.2286 3642.928       175.2587 3202.536       162.6731 172.2945 4.204418 161.5682 4.161572 10.72629       5.915726 
1 1 1 12  16 16 o 46.47430 4.580720 270.7408       51.18593 296.0403       77.84505 251.4712       67.93784 48.31096 6.660135 44.63763 6.290835 3.673336       9.161441 
1 1 1 12  16 17 o 79.39842 3.222392 785.0488       61.77966 797.6166       90.51688 774.0887       84.52937 79.92823 4.680875 78.86861 4.429973 1.059616       6.444785 
1 1 1 12  16 18 o 47.80049 7.064279 361.4153       57.75966 372.1588       62.50653 298.6318       151.1035 54.21088 4.765808 41.39010 13.30050 12.82078       14.12856 
1 1 1 12  16 19 o 53.71427 7.535874 438.3024       68.28362 424.3552       73.88741 519.9286       178.7478 56.78437 5.378229 50.64418 14.07950 6.140194       15.07175 
1 1 1 12  18 0  f 69.17102 3.427991 580.3270       57.14682 516.0075       79.97105 647.4445       81.69204 65.24538 5.066181 73.09666 4.619340 -7.851273      6.855982 
1 1 1 12  18 1  o 88.06538 2.964653 943.3780       62.82061 833.5217       89.13313 1051.809       88.55321 82.94236 4.441815 93.18841 3.927716 -10.24605      5.929307 
1 1 1 12  18 2  o 79.65822 3.108495 769.1234       59.87539 740.3539       84.70888 797.8491       84.64433 78.16652 4.479256 81.14993 4.311292 -2.983406      6.216990 
1 1 1 12  18 3  o 26.34747 6.192210 75.15599       47.43084 111.8811       69.73875 43.54694       64.69907 30.10874 8.931165 22.58620 8.579519 7.522535       12.38442 
1 1 1 12  18 4  o 121.2691 2.766988 1781.666       81.17119 1815.588       114.8136 1747.769       114.7732 122.4248 3.876336 120.1133 3.949545 2.311455       5.533976 
1 1 1 12  18 5  o 132.7536 2.822837 2131.765       90.55676 2282.894       130.7748 1992.538       125.5200 137.2694 3.937748 128.2377 4.045711 9.031738       5.645674 
1 1 1 12  18 6  o 143.1376 2.831380 2482.798       98.03947 2481.188       137.5553 2484.460       139.7687 143.0924 3.973367 143.1828 4.034749 -0.9048462E-01 5.662759 
1 1 1 12  18 7  o 151.0563 2.857790 2766.247       104.4337 2801.528       147.5882 2730.867       147.7951 152.0233 4.012722 150.0894 4.070125 1.933929       5.715580 
1 1 1 12  18 8  o 109.9310 2.835135 1467.327       75.25486 1578.176       106.6569 1357.431       106.1975 114.0803 3.864345 105.7817 4.149553 8.298569       5.670269 
1 1 1 12  18 9  o 164.5007 2.896670 3280.848       115.1445 3205.833       158.2994 3365.131       167.7926 162.5163 4.026060 166.4851 4.165769 -3.968857      5.793340 
1 1 1 12  18 10 o 54.20147 4.008421 359.1403       52.20967 413.5255       74.79900 307.4693       72.90855 58.23916 5.308579 50.16378 6.007391 8.075382       8.016843 
1 1 1 12  18 11 o 149.2319 2.857169 2705.937       103.0447 2818.232       150.0806 2605.789       141.7320 152.1471 4.077169 146.3168 4.003792 5.830276       5.714338 
1 1 1 12  18 12 o 78.86847 3.221921 753.4114       61.10152 881.0731       91.02810 648.7240       82.43129 84.91533 4.430850 72.82162 4.678746 12.09371       6.443842 
1 1 1 12  18 13 o 84.28403 4.360992 870.0917       88.92685 0.000000       0.000000 870.0917       88.92685 ?        ?        84.28403 4.360992 ?              ?        
1 1 1 12  18 14 o 128.1983 2.884816 1999.002       89.07631 2266.198       132.8353 1780.675       120.0749 135.9341 4.039083 120.4625 4.120008 15.47159       5.769632 
1 1 1 12  18 15 o 88.21194 3.115921 955.1572       66.20010 1091.324       97.81618 840.0792       89.92323 94.01823 4.300277 82.40565 4.510374 11.61257       6.231842 
1 1 1 12  18 16 o 21.49927 6.292691 30.35612       53.62346 18.96683       77.17919 40.98514       74.55874 20.83036 8.830996 22.16817 8.966905 -1.337814      12.58538 
1 1 1 12  18 17 o 27.83979 6.052719 86.71599       57.88351 -43.68941      83.21278 208.9711       80.57046 17.67201 8.188272 38.00756 8.915930 -20.33555      12.10544 
1 1 1 12  18 18 o 19.28302 5.934524 8.992416       54.36895 -43.29238      80.94366 51.97283       73.38890 16.90359 7.913099 21.66245 8.846307 -4.758863      11.86905 
1 1 1 12  20 0  o 229.0809 3.417073 6362.426       189.3698 6442.028       269.8906 6285.233       265.7753 230.4912 4.839840 227.6706 4.825089 2.820648       6.834146 
1 1 1 12  20 1  o 435.3768 5.624352 23009.91       591.0364 24095.90       872.8674 22090.42       803.1780 444.7762 8.111560 425.9774 7.793328 18.79880       11.24870 
1 1 1 12  20 2  o 352.4745 4.677765 15084.87       398.5857 15488.83       577.8320 14718.19       550.5291 356.9520 6.690977 347.9970 6.538867 8.954987       9.355531 
1 1 1 12  20 3  o 199.8509 3.167270 4840.920       153.0992 4760.493       213.4669 4926.110       219.6974 198.1450 4.452922 201.5567 4.505318 -3.411697      6.334541 
1 1 1 12  20 4  o 274.0134 3.843243 9112.214       254.6875 9306.483       366.3938 8930.581       354.2769 276.8308 5.470555 271.1959 5.399547 5.634918       7.686487 
1 1 1 12  20 5  o 253.3598 3.639346 7787.188       222.9217 8025.092       322.8189 7570.335       308.2062 257.0459 5.190941 249.6738 5.102302 7.372116       7.278691 
1 1 1 12  20 6  o 184.4058 3.072466 4127.849       137.0756 4109.771       193.9008 4145.910       193.8076 184.0006 4.355700 184.8109 4.334519 -0.8103027     6.144931 
1 1 1 12  20 7  o 95.68237 2.971662 1111.893       68.77247 1117.600       96.28028 1105.947       98.26810 95.93784 4.148060 95.42690 4.256371 0.5109482      5.943324 
1 1 1 12  20 8  o 115.9941 2.812775 1629.461       78.80923 1744.166       115.2640 1528.764       107.9968 119.8154 3.976295 112.1728 3.979433 7.642639       5.625550 
1 1 1 12  20 9  o 111.8888 2.895439 1524.949       78.27279 1616.558       110.7083 1433.387       110.6806 115.2720 3.969669 108.5056 4.216158 6.766373       5.790878 
1 1 1 12  20 10 o 153.5591 2.919738 2859.527       108.1620 3098.886       160.4549 2660.173       146.4333 159.4072 4.160473 147.7110 4.097554 11.69626       5.839477 
1 1 1 12  20 11 o 137.9241 4.026435 2323.220       134.3579 2323.220       134.3579 0.000000       0.000000 137.9241 4.026435 ?        ?        ?              ?        
1 1 1 12  20 12 o 22.92162 6.160999 37.91011       50.73281 91.35243       72.44448 -13.52258      71.06934 27.29767 9.229203 18.54557 8.164157 8.752100       12.32200 
1 1 1 12  20 13 o 24.20039 6.327507 63.72104       49.10786 57.73932       68.99971 69.86113       69.90720 23.59324 8.884080 24.80753 9.012353 -1.214287      12.65501 
1 1 1 12  20 14 f 74.05553 3.707397 682.2437       66.28051 742.4020       97.30392 630.1678       90.53165 77.10023 5.216418 71.01084 5.269549 6.089386       7.414793 
1 1 1 12  20 15 o 36.68423 6.213480 184.8182       60.15572 290.8130       86.69750 86.41146       83.53658 46.96063 7.630805 26.40784 9.808167 20.55278       12.42696 
1 1 1 12  20 16 o 118.6674 3.134929 1774.365       89.80915 1923.843       128.1002 1629.873       125.9458 123.7456 4.278760 113.5893 4.582940 10.15627       6.269858 
1 1 1 12  20 17 o 26.28610 7.129200 104.5910       63.49511 95.88219       87.16098 114.4387       92.68463 25.52783 9.891096 27.04437 10.26977 -1.516542      14.25840 
1 1 1 12  22 0  o 191.2664 3.129405 4437.028       144.7526 4324.863       201.2439 4557.270       208.3640 188.7665 4.406518 193.7664 4.444694 -4.999893      6.258810 
1 1 1 12  22 1  f 158.1643 2.974211 3035.425       113.8020 3007.095       159.7443 3064.620       162.1635 157.4165 4.194430 158.9122 4.217875 -1.495697      5.948421 
1 1 1 12  22 2  o 162.6519 2.967289 3195.869       116.4869 3451.910       171.9815 2978.842       158.3376 168.6401 4.215204 156.6636 4.177473 11.97658       5.934579 
1 1 1 12  22 3  o 133.7102 2.866885 2166.879       92.66855 2283.613       133.8738 2059.490       128.4035 137.1648 4.034137 130.2556 4.074537 6.909164       5.733769 
1 1 1 12  22 4  o 81.69282 3.255573 812.7982       64.22125 767.9933       91.81027 855.7256       89.86607 79.46909 4.775190 83.91654 4.426351 -4.447449      6.511147 
1 1 1 12  22 5  o 131.0137 2.848459 2085.147       90.28017 2121.459       128.5165 2049.771       126.8506 132.1407 4.019943 129.8866 4.036697 2.254181       5.696917 
1 1 1 12  22 6  o 54.05593 4.290752 356.6747       55.70493 419.4987       81.18540 300.7848       76.57403 58.57583 5.728714 49.53603 6.389370 9.039806       8.581505 
1 1 1 12  22 7  f 165.0338 3.000004 3281.114       119.0187 3657.999       181.2595 2995.460       157.8034 173.2483 4.324438 156.8193 4.159245 16.42894       6.000007 
1 1 1 12  22 8  o 137.8653 2.916696 2298.313       96.86539 2571.618       145.0098 2078.098       130.1659 145.2017 4.127845 130.5289 4.121814 14.67281       5.833391 
1 1 1 12  22 9  o 192.9586 3.170557 4530.061       147.4911 4882.032       220.1992 4243.660       198.6319 199.6783 4.558086 186.2388 4.408355 13.43954       6.341115 
1 1 1 12  22 10 o 76.68471 3.652958 723.7782       67.52856 810.7658       97.42763 643.3504       93.68207 81.16853 4.961261 72.20087 5.363048 8.967659       7.305915 
1 1 1 12  22 11 o 88.12384 3.319723 957.8948       70.48593 1071.122       100.7979 849.5459       98.60270 93.30192 4.465381 82.94577 4.913515 10.35615       6.639447 
1 1 1 12  22 12 o 41.88352 6.040887 235.3121       59.13254 249.7448       84.68416 221.5788       82.60661 43.22860 8.399737 40.53844 8.684104 2.690159       12.08177 
1 1 1 12  22 13 o 88.90225 3.407298 986.3911       73.23323 945.9023       103.7023 1026.670       103.4331 87.02110 4.925626 90.78340 4.709239 -3.762306      6.814597 
1 1 1 12  22 14 o 26.35241 6.962398 87.59478       60.01163 101.1766       83.52603 73.10280       86.27946 27.46737 9.868998 25.23745 9.823584 2.229918       13.92480 
1 1 1 12  22 15 o 32.44914 7.134961 163.9765       64.73869 211.5422       89.19495 111.0226       94.11144 37.17640 9.783813 27.72188 10.38786 9.454523       14.26992 
1 1 1 12  22 16 o 50.34908 5.986347 384.4344       69.33932 459.5580       96.36852 303.7929       99.84509 57.30396 6.951016 43.39420 9.748271 13.90976       11.97269 
1 1 1 12  24 0  o 85.13754 3.398747 882.4716       69.92580 824.4708       97.30189 944.4199       100.5585 82.23641 4.890517 88.03868 4.721099 -5.802269      6.797495 
1 1 1 12  24 1  o 41.73780 5.642941 220.5656       54.46772 233.4302       83.37689 210.9881       71.94030 42.72790 8.364913 40.74770 7.576237 1.980198       11.28588 
1 1 1 12  24 2  o 124.8268 2.899945 1880.205       87.18045 2137.452       129.9706 1669.788       117.5469 132.5313 4.053446 117.1224 4.148289 15.40893       5.799891 
1 1 1 12  24 3  o 39.88522 5.910980 202.4987       54.88591 225.2514       83.49460 185.1854       72.83378 41.83728 8.537874 37.93316 8.177008 3.904125       11.82196 
1 1 1 12  24 4  o 48.84846 5.075325 311.0524       55.56163 209.7417       80.29355 404.1356       76.96416 40.28747 8.504760 57.40945 5.541187 -17.12199      10.15065 
1 1 1 12  24 5  o 40.60643 5.720113 222.5572       53.96964 143.4573       81.83423 283.4422       71.79630 33.26476 9.621520 47.94810 6.189112 -14.68335      11.44023 
1 1 1 12  24 6  o 48.72037 4.755629 294.9778       55.05705 292.0642       86.05342 296.9970       71.63844 48.39763 7.349228 49.04310 6.037621 -0.6454659     9.511258 
1 1 1 12  24 7  o 48.54311 5.595402 292.3534       61.73379 440.2828       95.63974 186.6978       80.82719 59.48429 6.645594 37.60194 9.003897 21.88234       11.19080 
1 1 1 12  24 8  o 101.7957 3.216983 1268.715       79.09512 1359.439       115.8040 1189.385       108.2886 105.1951 4.550151 98.39631 4.548850 6.798759       6.433966 
1 1 1 12  24 9  o 27.75862 6.627484 83.37786       56.94233 154.9596       84.25702 23.19905       77.25505 33.89242 9.751300 21.62481 8.978103 12.26761       13.25497 
1 1 1 12  24 10 o 34.72403 6.847280 164.9315       60.19609 194.5622       86.44973 137.0435       83.86917 37.63968 9.494297 31.80838 9.869108 5.831297       13.69456 
1 1 1 12  24 11 f 41.33475 6.567043 238.9156       64.62547 184.5552       91.71615 292.5195       91.07563 36.10790 10.10205 46.56160 8.393622 -10.45370      13.13409 
1 1 1 12  24 12 o 59.00298 4.661851 447.4835       66.14838 385.2573       90.06028 520.3776       97.47493 54.43148 6.838815 63.57449 6.337351 -9.143009      9.323702 
1 1 1 12  24 13 o 57.85971 4.957776 446.0240       69.39321 453.9405       98.29700 438.1591       97.97742 58.41385 6.955400 57.30558 7.066865 1.108269       9.915552 
1 1 1 12  24 14 o 27.94539 7.193708 121.4998       65.14042 151.7076       86.24380 81.37741       99.39444 30.74940 10.06144 25.14138 10.28422 5.608019       14.38742 
1 1 1 12  26 0  o 19.45280 6.043193 -21.35717      55.24963 12.72299       82.46840 -49.10961      74.41959 21.75806 9.171068 17.14754 7.872246 4.610525       12.08639 
1 1 1 12  26 1  o 32.28436 6.627372 132.7482       55.66372 174.2385       82.29094 97.75130       75.57760 36.33035 9.317463 28.23837 9.427256 8.091974       13.25474 
1 1 1 12  26 2  o 78.72096 3.495448 764.2521       66.13509 730.7350       98.02048 792.2601       89.60351 77.05159 5.258149 80.39034 4.607006 -3.338753      6.990897 
1 1 1 12  26 3  o 93.19250 3.160019 1064.728       71.17422 1062.896       102.9652 1066.405       98.49466 93.08702 4.571924 93.29799 4.363531 -0.2109680     6.320039 
1 1 1 12  26 4  o 135.4691 3.002813 2244.201       98.14127 2310.409       145.1423 2188.431       133.2096 137.2541 4.370854 133.6841 4.118637 3.570023       6.005625 
1 1 1 12  26 5  o 40.03833 6.166745 211.4483       57.78969 224.7268       86.71518 200.8391       77.51110 41.09969 8.972451 38.97697 8.462275 2.122719       12.33349 
1 1 1 12  26 6  o 68.32861 3.900417 579.2754       63.96941 587.0615       96.96529 573.2753       85.12046 68.62506 5.840248 68.03217 5.171509 0.5928879      7.800833 
1 1 1 12  26 7  o 43.04681 6.245215 248.5035       62.56564 254.6733       93.76707 243.5522       83.99898 43.35938 9.222136 42.73423 8.423956 0.6251564      12.49043 
1 1 1 12  26 8  o 56.56756 5.089851 410.4967       69.20881 353.4299       96.16640 471.8100       99.68021 52.30379 7.599551 60.83133 6.772973 -8.527538      10.17970 
1 1 1 12  26 9  o 81.20920 3.775140 834.7911       73.58546 739.8250       106.0769 922.8810       102.1645 76.49165 5.731977 85.92674 4.914385 -9.435097      7.550280 
1 1 1 12  26 10 o 47.29151 6.005043 314.3091       65.43457 236.6145       95.62764 382.7168       89.73053 40.39715 9.868778 54.18586 6.844661 -13.78871      12.01009 
1 1 1 12  26 11 o 65.60301 4.627268 569.4216       72.64211 656.7684       102.5582 481.4821       102.9056 71.13451 5.959198 60.07152 7.080564 11.06298       9.254536 
1 1 1 12  26 12 o 21.17434 6.600731 16.72476       66.32403 35.86247       92.55031 -3.479418      95.09409 22.11005 9.528396 20.23862 9.137192 1.871426       13.20146 
1 1 1 12  28 0  o 84.06161 3.685737 879.0186       74.29060 1029.099       106.5130 736.8429       103.6702 91.21750 4.826387 76.90572 5.571769 14.31178       7.371474 
1 1 1 12  28 1  o 117.1894 3.148106 1690.549       89.15718 1802.685       129.0925 1588.281       123.2827 120.9177 4.412744 113.4611 4.491099 7.456596       6.296212 
1 1 1 12  28 2  o 110.4643 3.239445 1508.368       86.42926 1501.490       125.7466 1514.526       118.9917 110.1545 4.718367 110.7740 4.439937 -0.6194305     6.478891 
1 1 1 12  28 3  f 56.19179 4.908522 400.1920       66.57410 435.2365       98.05419 370.2217       90.67784 58.46730 6.931877 53.91628 6.951506 4.551018       9.817044 
1 1 1 12  28 4  o 55.61385 4.904827 382.6027       64.16780 533.1859       99.97878 277.1245       83.67600 64.85864 6.371441 46.36906 7.458823 18.48959       9.809653 
1 1 1 12  28 5  o 75.25011 3.802127 698.7399       68.63872 826.9426       104.9388 602.8805       90.74126 81.20045 5.341647 69.29977 5.412161 11.90069       7.604254 
1 1 1 12  28 6  f 57.67365 7.233624 432.5992       100.9336 432.5992       100.9336 0.000000       0.000000 57.67365 7.233624 ?        ?        ?              ?        
1 1 1 12  28 7  o 103.9961 4.374989 1391.063       109.1159 1383.700       164.9895 1396.788       145.4729 103.3284 6.599853 104.6638 5.744914 -1.335373      8.749977 
1 1 1 12  28 8  o 20.94701 6.873487 -49.98637      83.27365 -94.99108      132.1485 -20.34503      107.2462 20.69428 9.815896 21.19974 9.624318 -0.5054569     13.74697 
1 1 1 12  28 9  o 50.06787 8.358288 394.5163       99.39434 537.4182       157.5606 300.0595       128.0989 57.83219 11.66348 42.30354 11.97528 15.52865       16.71658 
1 1 1 13  1  0  o 277.9715 3.739544 9354.389       251.4819 9413.092       357.4446 9296.851       353.8803 278.8345 5.298585 277.1084 5.278425 1.726105       7.479089 
1 1 1 13  1  1  o 426.7534 5.427924 22065.98       560.3890 22210.67       797.5358 21924.88       787.5775 428.1329 7.699619 425.3738 7.652797 2.759064       10.85585 
1 1 1 13  1  2  o 323.4958 4.244863 12670.89       332.2208 12625.13       468.1416 12717.32       471.5391 322.9079 5.992338 324.0836 6.013928 -1.175751      8.489726 
1 1 1 13  1  3  o 420.0636 5.350282 21371.38       543.7394 21326.07       767.1957 21417.11       770.7438 419.6169 7.557026 420.5103 7.575845 -0.8934631     10.70056 
1 1 1 13  1  4  o 382.6791 4.918195 17714.27       455.0555 18132.12       657.9537 17331.12       630.0444 386.9982 7.027229 378.3600 6.882776 8.638214       9.836390 
1 1 1 13  1  5  o 390.7989 5.009891 18479.94       473.5366 18209.40       659.9871 18766.99       679.8168 387.8541 7.033391 393.7437 7.136346 -5.889648      10.01978 
1 1 1 13  1  6  o 188.9993 2.823867 4321.854       129.1214 4351.875       183.2832 4292.274       181.9346 189.6508 3.994530 188.3477 3.992571 1.303116       5.647734 
1 1 1 13  1  7  f 725.8307 11.01956 63888.22       1819.710 63706.02       2221.921 64259.37       3171.214 724.7465 12.67185 726.9150 18.03182 -2.168518      22.03911 
1 1 1 13  1  8  f 265.9199 4.191422 8532.747       232.4484 8505.186       267.5928 8617.489       469.2130 265.1038 4.172114 266.7359 7.270869 -1.632111      8.382844 
1 1 1 13  1  9  o 238.3956 3.884953 6622.930       186.1633 6427.136       209.5805 7355.146       405.2948 230.4362 3.759220 246.3549 6.799978 -15.91866      7.769906 
1 1 1 13  1  10 o 92.55526 2.547400 1031.438       48.46981 1026.486       55.40307 1047.591       100.0657 92.10155 2.486363 93.00896 4.446908 -0.9074097     5.094801 
1 1 1 13  1  11 o 212.3226 3.564240 5521.820       159.7296 5585.021       185.6976 5342.059       313.1797 214.7757 3.573707 209.8694 6.167968 4.906250       7.128479 
1 1 1 13  1  12 o 523.4081 7.704340 33060.71       829.1539 32704.91       946.9777 34229.63       1716.410 518.7548 7.545279 528.0615 13.43489 -9.306763      15.40868 
1 1 1 13  1  13 o 446.2809 5.695735 24243.96       614.9552 24115.92       865.0887 24374.75       874.3410 445.0973 8.033474 447.4645 8.076440 -2.367218      11.39147 
1 1 1 13  1  14 o 125.3927 2.442322 1904.610       74.07621 1962.421       105.4386 1848.264       104.0935 127.2729 3.424216 123.5125 3.483459 3.760475       4.884644 
1 1 1 13  1  15 o 92.49571 2.387216 1035.887       53.33294 1123.040       76.83224 954.8424       74.09078 96.25006 3.299439 88.74136 3.450927 7.508705       4.774432 
1 1 1 13  1  16 o 62.04050 2.773494 467.8246       41.62748 471.9481       58.74802 463.6667       58.99304 62.31697 3.896589 61.76403 3.947870 0.5529327      5.546988 
1 1 1 13  1  17 o 50.48146 3.444454 314.7552       41.29505 244.4498       57.98222 387.1242       58.82699 44.64455 5.368143 56.31837 4.317419 -11.67382      6.888909 
1 1 1 13  1  18 o 39.93034 4.374259 204.4818       40.13913 155.4120       57.40575 251.4212       56.14583 34.67424 7.082389 45.18645 5.135787 -10.51220      8.748517 
1 1 1 13  1  19 o 13.76167 4.553826 -49.44959      37.86762 -40.60500      54.38290 -57.77411      52.75978 14.34166 6.636124 13.18168 6.237885 1.159983       9.107653 
1 1 1 13  1  20 o 41.41357 4.530122 222.9111       43.64486 266.3269       62.14624 180.6579       61.30858 45.95546 5.589532 36.87169 7.130578 9.083771       9.060244 
1 1 1 13  3  0  o 188.7758 2.808557 4300.122       128.0483 4104.687       174.8798 4525.999       188.0074 184.1665 3.924884 193.3852 4.018365 -9.218735      5.617114 
1 1 1 13  3  1  o 164.3708 2.577066 3269.393       102.4819 3282.654       145.3689 3256.291       144.4976 164.7020 3.648129 164.0395 3.640910 0.6625519      5.154131 
1 1 1 13  3  2  o 455.0364 5.758505 25056.96       633.3776 24444.82       873.5514 25735.47       919.6912 449.1927 8.038101 460.8802 8.248056 -11.68753      11.51701 
1 1 1 13  3  3  o 86.43162 2.857983 903.8276       59.76331 0.000000       0.000000 903.8276       59.76331 ?        ?        86.43162 2.857983 ?              ?        
1 1 1 13  3  4  o 469.6945 7.002072 25472.42       645.1378 24640.37       719.2021 28899.46       1459.613 451.1755 6.588752 488.2135 12.35736 -37.03796      14.00414 
1 1 1 13  3  5  o 329.4588 4.980822 13187.55       345.3949 13238.10       400.1537 13039.86       684.0347 330.7545 5.000561 328.1631 8.615610 2.591370       9.961644 
1 1 1 13  3  6  o 278.5265 4.328986 9450.177       254.5853 9514.837       295.6543 9264.724       500.7077 280.4180 4.357888 276.6350 7.481262 3.782959       8.657971 
1 1 1 13  3  7  o 617.5687 8.900278 46052.53       1143.094 45848.90       1313.911 46686.50       2318.354 615.2152 8.827474 619.9221 15.45754 -4.706909      17.80056 
1 1 1 13  3  8  o 401.0103 6.006209 19019.22       487.6065 18644.00       551.7700 20356.93       1041.831 392.4064 5.811921 409.6142 10.51284 -17.20779      12.01242 
1 1 1 13  3  9  o 230.6234 3.773876 6438.488       181.5029 6435.200       209.0858 6448.542       365.6183 230.5756 3.748080 230.6712 6.551372 -0.9555054E-01 7.547753 
1 1 1 13  3  10 o 76.31891 2.771970 733.3630       41.43436 754.6025       46.87480 657.4658       88.60949 78.96744 2.453517 73.67039 4.971472 5.297050       5.543941 
1 1 1 13  3  11 f 372.5841 5.576032 16952.38       437.7771 17042.17       507.7894 16692.45       863.9794 374.9230 5.598082 370.2453 9.645207 4.677734       11.15206 
1 1 1 13  3  12 o 149.0819 3.000001 2750.929       93.33832 2810.665       108.1889 2577.038       184.5881 152.3743 2.934735 145.7895 5.233294 6.584747       6.000003 
1 1 1 13  3  13 o 98.38325 2.970765 1214.494       58.10146 1247.979       66.06514 1100.178       122.0676 101.5338 2.689426 95.23274 5.297997 6.301010       5.941530 
1 1 1 13  3  14 o 154.2903 3.110652 2880.655       98.34047 2874.921       112.3338 2899.465       203.4588 154.0682 3.013666 154.5125 5.442651 -0.4442749     6.221305 
1 1 1 13  3  15 o 96.78624 3.135182 1089.850       65.51142 1035.985       76.06969 1244.497       128.8931 92.43230 3.401618 101.1402 5.267491 -8.707878      6.270365 
1 1 1 13  3  16 o 48.37239 3.600684 284.2423       42.13907 284.2423       42.13907 0.000000       0.000000 48.37239 3.600684 ?        ?        ?              ?        
1 1 1 13  3  17 o 24.70117 5.576910 74.94544       37.62440 71.80888       53.19631 78.08498       53.22157 24.31159 7.899427 25.09074 7.874436 -0.7791500     11.15382 
1 1 1 13  3  18 o 70.35999 2.911756 607.5726       49.26236 526.8815       69.18904 690.5350       70.15601 65.55882 4.362183 75.16115 3.858062 -9.602333      5.823511 
1 1 1 13  3  19 o 58.67152 3.175521 428.6084       44.59701 365.4415       63.97064 488.3380       62.20577 54.32647 4.867064 63.01657 4.080126 -8.690109      6.351042 
1 1 1 13  3  20 o 27.59507 6.766360 101.4757       52.98267 112.8953       61.36216 68.01904       105.0310 28.75309 8.335900 26.43704 10.66055 2.316046       13.53272 
1 1 1 13  5  0  o 370.5900 4.785955 16555.91       427.6450 15775.91       576.7175 17508.64       637.3859 360.9467 6.604162 380.2332 6.928673 -19.28656      9.571910 
1 1 1 13  5  1  o 346.2756 4.506290 14515.14       377.4782 14663.89       538.8921 14371.85       528.9173 348.0157 6.400304 344.5355 6.345290 3.480225       9.012580 
1 1 1 13  5  2  f 204.1756 2.980690 5034.960       147.0657 4853.931       202.0703 5238.842       214.4456 200.2816 4.170223 208.0697 4.259964 -7.788101      5.961380 
1 1 1 13  5  3  o 260.0397 3.562066 8171.635       223.8999 8448.700       325.1784 7921.866       308.7449 264.2241 5.086826 255.8554 4.987730 8.368698       7.124131 
1 1 1 13  5  4  o 264.2948 5.114559 8452.768       327.0387 0.000000       0.000000 8452.768       327.0387 ?        ?        264.2948 5.114559 ?              ?        
1 1 1 13  5  5  o 417.6301 5.329943 21107.40       538.3906 20810.36       750.8471 21421.76       772.4093 414.6091 7.485319 420.6511 7.589674 -6.041992      10.65989 
1 1 1 13  5  6  o 63.43383 2.229750 486.3988       34.20279 473.1190       47.46095 500.7471       49.33348 62.53390 3.137029 64.33376 3.169572 -1.799854      4.459499 
1 1 1 13  5  7  o 444.2339 5.642096 23894.46       606.2234 23542.49       845.2892 24267.22       869.8991 440.8707 7.924864 447.5972 8.033027 -6.726532      11.28419 
1 1 1 13  5  8  o 298.3440 4.616017 10762.99       287.3306 10743.67       330.9705 10822.13       578.9340 297.9099 4.592001 298.7781 8.008994 -0.8681641     9.232035 
1 1 1 13  5  9  o 377.8820 5.597714 17623.22       453.7946 17984.21       533.6551 16680.55       862.3757 385.2661 5.725291 370.4978 9.620740 14.76828       11.19543 
1 1 1 13  5  10 o 262.7537 4.180446 8382.300       229.5396 8394.642       264.8366 8345.033       460.1905 263.2877 4.157623 262.2197 7.253873 1.067993       8.360891 
1 1 1 13  5  11 o 100.5735 2.748194 1182.278       54.87190 1151.866       61.53072 1300.416       121.2724 97.55591 2.606971 103.5910 4.838799 -6.035126      5.496387 
1 1 1 13  5  12 o 163.3387 3.348681 3172.852       121.1942 3086.133       143.8580 3384.890       224.9489 159.6273 3.724986 167.0502 5.565890 -7.422882      6.697361 
1 1 1 13  5  13 o 132.5412 3.236294 2197.805       95.91330 2322.576       117.2371 1945.271       166.7895 138.4728 3.499436 126.6095 5.445028 11.86333       6.472587 
1 1 1 13  5  14 o 250.2749 4.116750 7393.301       207.2537 7222.570       233.7773 8020.226       447.9751 244.0619 3.959133 256.4879 7.219127 -12.42599      8.233500 
1 1 1 13  5  15 o 55.59751 4.266683 396.7778       40.86667 405.8652       44.58986 349.0779       102.1587 57.85653 3.185528 53.33849 7.916484 4.518036       8.533365 
1 1 1 13  5  16 o 58.92148 4.321917 409.9284       59.98664 361.3326       75.12551 495.4194       99.64328 54.33146 5.715231 63.51151 6.484751 -9.180050      8.643834 
1 1 1 13  5  17 o 62.42941 3.971193 465.6845       52.78326 450.9117       61.06451 509.3397       104.9724 60.76769 4.153496 64.09114 6.769784 -3.323452      7.942387 
1 1 1 13  5  18 o 118.2187 3.335335 1652.713       85.41820 1575.047       99.50082 1870.315       166.5499 113.5445 3.622082 122.8929 5.601640 -9.348450      6.670671 
1 1 1 13  5  19 o 42.84485 11.09627 260.0833       115.9369 0.000000       0.000000 260.0833       115.9369 ?        ?        42.84485 11.09627 ?              ?        
1 1 1 13  5  20 o 44.93822 4.258002 256.7456       46.21076 276.0179       67.72092 239.9525       63.21525 46.51212 6.018031 43.36432 6.025416 3.147800       8.516005 
1 1 1 13  7  0  o 86.32656 3.175760 901.6412       66.32762 0.000000       0.000000 901.6412       66.32762 ?        ?        86.32656 3.175760 ?              ?        
1 1 1 13  7  1  o 155.4161 3.649607 2922.487       137.2286 0.000000       0.000000 2922.487       137.2286 ?        ?        155.4161 3.649607 ?              ?        
1 1 1 13  7  2  o 410.2686 5.247978 20355.46       520.4971 20894.50       754.4930 19865.97       718.9788 415.4421 7.506585 405.0952 7.335956 10.34698       10.49596 
1 1 1 13  7  3  o 356.0852 4.632402 15338.07       398.9114 15058.21       554.3964 15638.52       574.4286 352.7207 6.496614 359.4496 6.605348 -6.728912      9.264805 
1 1 1 13  7  4  o 176.3739 2.757111 3755.375       117.4949 3602.500       161.1822 3928.722       171.6358 172.5525 3.860944 180.1952 3.936972 -7.642700      5.514222 
1 1 1 13  7  5  o 494.4051 6.229896 29590.70       744.9227 29103.58       1036.852 30110.37       1070.934 490.2063 8.742498 498.6039 8.877789 -8.397614      12.45979 
1 1 1 13  7  6  o 335.0994 4.398850 13587.45       356.5078 13363.23       496.4248 13826.25       512.3065 332.2477 6.175743 337.9511 6.265759 -5.703400      8.797701 
1 1 1 13  7  7  o 149.8419 2.556710 2716.915       92.67368 2780.974       131.6629 2654.016       130.4660 151.5927 3.589903 148.0912 3.641381 3.501526       5.113420 
1 1 1 13  7  8  o 199.3431 2.967705 4807.884       143.0808 4925.002       205.5873 4697.870       199.2550 201.6954 4.213063 196.9908 4.180814 4.704636       5.935411 
1 1 1 13  7  9  o 85.84872 2.640984 915.4078       52.76122 991.6215       67.76623 798.0964       84.07504 90.51452 3.094516 81.18293 4.280555 9.331589       5.281967 
1 1 1 13  7  10 o 423.4930 6.266099 21892.94       558.0895 21974.70       646.4818 21653.78       1105.698 425.6261 6.278064 421.3600 10.84629 4.266113       12.53220 
1 1 1 13  7  11 o 127.8424 3.085145 1974.474       87.14102 1966.285       103.7786 1994.051       160.4577 127.4344 3.366036 128.2505 5.171294 -0.8161087     6.170290 
1 1 1 13  7  12 o 257.3123 4.143940 8087.458       224.0308 8140.987       259.5392 7930.994       443.7260 259.2058 4.138624 255.4188 7.180582 3.787018       8.287881 
1 1 1 13  7  13 o 23.30543 5.979733 44.48847       31.80429 39.52657       34.07130 78.09637       88.67181 18.72095 6.329303 27.88991 10.14735 -9.168955      11.95947 
1 1 1 13  7  14 o 171.8693 3.317235 3615.444       116.8919 3640.581       133.8764 3534.801       239.7874 173.3197 3.192668 170.4188 5.815760 2.900864       6.634470 
1 1 1 13  7  15 o 135.0364 3.135575 2124.266       82.05340 2064.999       91.20365 2375.967       187.9519 130.5076 2.888512 139.5652 5.566311 -9.057602      6.271150 
1 1 1 13  7  16 o 174.5000 3.370366 3764.677       120.6884 3806.565       138.4805 3632.362       246.1208 176.9958 3.233876 172.0043 5.914347 4.991562       6.740731 
1 1 1 13  7  17 o 95.46422 3.234325 1040.847       58.03452 999.4630       63.75446 1240.928       140.1836 90.66286 2.906557 100.2656 5.778871 -9.602707      6.468649 
1 1 1 13  7  18 o 21.67976 5.683118 52.25664       38.94037 73.96805       42.00963 -80.24986      103.7823 23.94998 6.883948 19.40955 9.044478 4.540426       11.36624 
1 1 1 13  7  19 o 74.56683 3.667885 558.8644       51.83242 489.7212       56.36490 937.6562       131.9271 63.11864 3.691041 86.01501 6.339538 -22.89637      7.335770 
1 1 1 13  7  20 o 32.20060 6.720747 151.2253       50.51477 157.9005       56.17554 123.0220       115.4690 34.22025 7.020632 30.18095 11.46231 4.039301       13.44149 
1 1 1 13  9  0  o 312.2919 4.167236 11791.61       314.6362 12093.96       455.3920 11515.45       435.2188 316.1170 5.954361 308.4667 5.831725 7.650330       8.334473 
1 1 1 13  9  1  o 288.5142 3.896056 10050.17       271.5191 9681.930       371.4207 10472.83       397.9193 282.8529 5.427542 294.1755 5.590957 -11.32266      7.792112 
1 1 1 13  9  2  o 269.0894 3.690071 8749.064       239.9827 8482.600       330.3137 9046.958       349.2510 264.7578 5.156743 273.4209 5.279632 -8.663116      7.380143 
1 1 1 13  9  3  o 186.3099 2.890622 4199.240       130.2740 4159.069       182.2680 4241.192       186.2676 185.3994 4.063495 187.2203 4.112273 -1.820908      5.781244 
1 1 1 13  9  4  o 479.7295 7.437381 27836.60       811.5065 28054.73       1416.064 27729.94       990.2397 480.9737 12.16912 478.4853 8.554005 2.488464       14.87476 
1 1 1 13  9  5  o 113.0495 4.641902 1546.698       126.9600 0.000000       0.000000 1546.698       126.9600 ?        ?        113.0495 4.641902 ?              ?        
1 1 1 13  9  6  o 327.9162 5.305317 12977.96       395.1367 13182.63       692.7220 12879.25       481.0767 329.7273 8.683640 326.1051 6.097538 3.622192       10.61063 
1 1 1 13  9  7  o 286.9510 4.764453 10009.49       312.4103 10069.59       383.9438 9891.731       537.4315 288.3243 5.504072 285.5777 7.778511 2.746582       9.528906 
1 1 1 13  9  8  o 214.1008 3.128226 5551.034       162.0372 5566.536       229.7630 5535.696       228.5521 214.3979 4.429526 213.8037 4.418426 0.5941620      6.256451 
1 1 1 13  9  9  o 293.4291 3.949006 10423.93       280.0905 10139.72       386.2283 10739.20       406.7865 289.2229 5.519619 297.6354 5.649105 -8.412445      7.898011 
1 1 1 13  9  10 f 187.5374 2.888616 4259.719       131.0561 4228.804       184.1961 4291.414       186.5083 186.8490 4.074622 188.2259 4.095591 -1.376862      5.777232 
1 1 1 13  9  11 o 100.6692 2.443789 1226.596       59.46496 1302.167       85.12124 1154.558       83.10722 103.6982 3.392848 97.64022 3.518096 6.057983       4.887578 
1 1 1 13  9  12 f 186.8392 2.918934 4229.381       131.9247 4311.761       188.5686 4150.403       184.6331 188.6204 4.132172 185.0581 4.123816 3.562286       5.837868 
1 1 1 13  9  13 o 228.4972 3.882216 6235.149       180.4118 6144.958       204.8242 6547.293       381.0464 225.1465 3.760224 231.8479 6.793168 -6.701416      7.764432 
1 1 1 13  9  14 o 92.22392 3.424921 1010.032       66.34180 986.4038       76.29509 1083.284       134.3336 90.17850 3.496965 94.26933 5.889956 -4.090828      6.849843 
1 1 1 13  9  15 o 237.7191 4.009848 6929.407       197.5029 6946.737       227.1281 6875.669       399.9517 239.0053 3.927906 236.4330 6.991930 2.572266       8.019696 
1 1 1 13  9  16 o 103.9437 3.370418 1373.241       66.82008 1407.818       74.90724 1238.548       147.8447 107.6512 2.876091 100.2362 6.096472 7.414963       6.740836 
1 1 1 13  9  17 o 96.51164 3.447380 1130.440       61.99230 1121.858       68.43939 1169.661       146.3089 96.00868 2.946411 97.01460 6.233489 -1.005920      6.894761 
1 1 1 13  9  18 o 110.7570 3.418408 1543.835       73.28626 1562.371       82.31041 1472.933       160.9809 113.1475 3.006821 108.3665 6.140121 4.780998       6.836817 
1 1 1 13  9  19 o 75.13241 3.840386 649.4288       55.13021 613.7841       60.75648 815.5860       131.1762 70.62669 3.555670 79.63813 6.808192 -9.011444      7.680773 
1 1 1 13  9  20 o 36.88715 6.941074 187.7520       51.17429 182.9507       55.50140 214.9911       132.1977 37.53210 6.112216 36.24219 12.46414 1.289913       13.88215 
1 1 1 13  11 0  o 682.5948 8.485009 56437.96       1400.096 57762.72       2030.027 55236.10       1933.563 690.2066 12.15683 674.9831 11.84031 15.22351       16.97002 
1 1 1 13  11 1  o 504.8584 6.370812 30841.38       777.4730 30125.28       1072.832 31633.42       1128.289 498.7021 8.891767 511.0147 9.126089 -12.31253      12.74162 
1 1 1 13  11 2  o 363.9736 4.747191 16038.71       418.0313 16038.92       590.9600 16038.50       591.4114 363.9761 6.710933 363.9711 6.716151 0.4943848E-02  9.494383 
1 1 1 13  11 3  o 428.9297 7.747302 22284.36       803.9681 0.000000       0.000000 22284.36       803.9681 ?        ?        428.9297 7.747302 ?              ?        
1 1 1 13  11 4  o 333.9825 4.411347 13506.16       356.4095 13378.84       499.5603 13638.15       508.6408 332.3812 6.212253 335.5837 6.264812 -3.202515      8.822695 
1 1 1 13  11 5  o 274.5046 3.768057 9119.118       250.1526 9340.068       359.8806 8912.563       347.9589 277.7182 5.356139 271.2910 5.301396 6.427185       7.536115 
1 1 1 13  11 6  o 347.7051 4.558026 14610.09       382.5807 14033.34       520.4506 15288.15       564.3083 340.2748 6.321896 355.1354 6.567804 -14.86057      9.116053 
1 1 1 13  11 7  o 74.41328 2.624719 668.3734       47.14804 608.9749       64.90788 734.7215       68.60001 70.92260 3.782775 77.90398 3.639672 -6.981377      5.249438 
1 1 1 13  11 8  o 165.3108 3.412523 3351.805       128.9899 3440.660       159.4964 3183.819       219.3044 168.5616 3.911021 162.0600 5.593314 6.501602       6.825045 
1 1 1 13  11 9  o 76.37241 2.592598 706.7971       47.83216 754.7952       67.87595 659.4470       67.41617 78.95228 3.553440 73.79253 3.776151 5.159744       5.185195 
1 1 1 13  11 10 o 111.3544 2.496458 1502.242       67.22899 1539.930       94.62553 1463.828       95.53326 112.7674 3.468347 109.9414 3.591625 2.825974       4.992915 
1 1 1 13  11 11 o 211.4708 3.149575 5419.358       161.1130 5338.657       225.3135 5503.795       230.4703 209.8619 4.437633 213.0797 4.470649 -3.217789      6.299150 
1 1 1 13  11 12 o 135.9398 2.616832 2239.668       86.06287 2255.459       121.6797 2223.860       121.7429 136.4203 3.686691 135.4594 3.714774 0.9609070      5.233664 
1 1 1 13  11 13 o 252.4319 3.560166 7745.705       217.3925 7660.981       304.1125 7834.241       310.8781 251.0275 5.007382 253.8363 5.062139 -2.808823      7.120332 
1 1 1 13  11 14 o 111.9964 3.445542 1516.074       82.83558 1502.338       96.73462 1553.837       160.3944 111.2301 3.594656 112.7628 5.879242 -1.532669      6.891084 
1 1 1 13  11 15 o 90.59424 3.839995 1113.816       62.14491 1176.591       69.07247 847.1148       142.3720 98.43744 2.900296 82.75103 7.111296 15.68641       7.679990 
1 1 1 13  11 16 o 50.84739 5.050747 325.9229       44.80467 325.4436       49.19098 328.2570       108.5438 51.62005 3.938807 50.07472 9.301935 1.545330       10.10149 
1 1 1 13  11 17 o 24.74742 6.712717 56.68901       43.07400 55.37635       46.40268 64.86615       115.8157 21.61642 7.386022 27.87841 11.21111 -6.261986      13.42543 
1 1 1 13  11 18 o 107.7868 3.512746 1475.855       73.52660 1497.934       82.76796 1393.218       160.1279 110.6631 3.091413 104.9106 6.308780 5.752548       7.025492 
1 1 1 13  11 19 o 35.18200 6.638492 186.4090       51.29826 197.9093       56.25859 129.6847       124.9445 39.34523 5.910095 31.01877 11.88903 8.326460       13.27698 
1 1 1 13  11 20 o 21.64518 6.787985 -2.667522      76.67226 66.36526       91.68434 -163.2362      139.8292 24.22310 9.889346 19.06726 9.300957 5.155836       13.57597 
1 1 1 13  13 0  o 741.2979 9.201825 66638.70       1647.067 69237.57       2422.346 64404.01       2246.221 754.6370 13.26771 727.9587 12.75391 26.67834       18.40365 
1 1 1 13  13 1  o 302.0529 4.075484 11042.90       297.7153 10867.92       414.2451 11229.83       428.1660 299.5819 5.715306 304.5240 5.811502 -4.942047      8.150969 
1 1 1 13  13 2  o 72.24995 2.910821 631.0730       50.84995 606.6801       70.50444 657.5170       73.40884 70.79668 4.116246 73.70322 4.116798 -2.906540      5.821641 
1 1 1 13  13 3  o 169.1622 2.817138 3463.861       115.2923 3501.292       163.3445 3426.701       162.7531 170.0732 3.969778 168.2511 3.998241 1.822144       5.634277 
1 1 1 13  13 4  o 396.9785 5.137762 19101.60       493.2580 19477.69       709.7209 18750.21       686.0267 400.7485 7.320039 393.2085 7.211339 7.540070       10.27552 
1 1 1 13  13 5  o 300.0223 4.047674 10906.50       293.7657 11026.75       419.7091 10791.03       411.3129 301.6405 5.751173 298.4041 5.697250 3.236420       8.095347 
1 1 1 13  13 6  o 351.6360 4.618030 14990.16       392.7206 15270.55       565.0175 14728.10       546.2401 354.8080 6.582125 348.4640 6.479229 6.344025       9.236059 
1 1 1 13  13 7  o 86.85068 2.648700 913.9890       55.61035 931.5676       77.57194 895.4029       79.76369 87.71246 3.655451 85.98890 3.834074 1.723564       5.297400 
1 1 1 13  13 8  o 207.4485 3.127033 5212.181       156.9080 5301.095       224.8727 5127.815       219.0449 209.1705 4.443592 205.7265 4.400889 3.443909       6.254065 
1 1 1 13  13 9  o 56.65772 3.203271 388.7944       43.89440 376.5723       61.21300 401.7309       62.97668 55.74154 4.539022 57.57391 4.521179 -1.832367      6.406542 
1 1 1 13  13 10 o 97.04343 2.630924 1141.314       61.74623 1168.703       86.90791 1113.397       87.74278 98.22192 3.657199 95.86495 3.783113 2.356964       5.261848 
1 1 1 13  13 11 o 212.3319 3.196755 5468.806       164.2125 5452.094       230.9624 5485.890       233.5219 212.0062 4.502881 212.6576 4.538836 -0.6513977     6.393510 
1 1 1 13  13 12 o 73.56094 2.899712 657.2036       51.52458 702.5687       73.08852 612.3850       72.64700 76.09388 3.970061 71.02800 4.227521 5.065880       5.799424 
1 1 1 13  13 13 o 117.1809 2.621450 1664.621       74.25742 1750.505       107.5056 1586.257       102.6915 120.0675 3.700866 114.2943 3.713705 5.773117       5.242901 
1 1 1 13  13 14 o 149.8817 2.753229 2734.245       99.83089 2776.010       142.0100 2693.440       140.3687 151.0148 3.886844 148.7487 3.900451 2.266113       5.506458 
1 1 1 13  13 15 o 83.67647 2.800659 854.7762       56.65361 898.6785       80.52236 811.7401       79.72422 85.81991 3.878164 81.53302 4.041611 4.286888       5.601319 
1 1 1 13  13 16 o 85.78040 3.685483 889.4764       59.49266 878.2077       65.80344 939.9167       139.2200 84.87000 3.204735 86.69079 6.637832 -1.820786      7.370965 
1 1 1 13  13 17 o 37.47875 6.426100 173.4863       46.95144 166.0121       51.47762 210.4700       114.5090 36.39828 5.845683 38.55922 11.44583 -2.160942      12.85220 
1 1 1 13  13 18 o 69.57756 4.213189 531.6985       56.43124 483.3099       61.96693 766.8055       136.5906 62.46051 4.100645 76.69461 7.361287 -14.23410      8.426377 
1 1 1 13  13 19 o 34.20710 6.717013 189.9413       53.64258 206.1274       58.03548 95.00297       140.5541 39.82294 6.023625 28.59127 12.00787 11.23167       13.43403 
1 1 1 13  13 20 o 31.46702 7.988882 187.1110       87.91692 241.1660       103.8996 50.82689       164.9751 37.37644 10.85018 25.55760 11.72871 11.81883       15.97776 
1 1 1 13  15 0  o 257.4318 3.620523 8027.000       225.4842 7977.387       317.0603 8077.769       320.7372 256.6279 5.106645 258.2356 5.133705 -1.607758      7.241046 
1 1 1 13  15 1  o 254.2469 3.595805 7814.959       220.8843 8116.416       322.7774 7549.450       302.9222 258.8444 5.154209 249.6495 5.015314 9.194962       7.191609 
1 1 1 13  15 2  o 125.2700 2.628292 1899.516       79.65106 1927.429       113.4184 1872.353       111.8845 126.1780 3.715330 124.3621 3.718603 1.815941       5.256585 
1 1 1 13  15 3  o 377.7662 4.921366 17305.65       449.6257 17606.67       646.5528 17023.74       625.6938 380.9370 7.015337 374.5954 6.903942 6.341583       9.842731 
1 1 1 13  15 4  o 252.5743 3.568663 7704.793       217.5914 7366.917       295.9948 8102.069       320.9606 246.5764 4.961697 258.5723 5.130592 -11.99590      7.137325 
1 1 1 13  15 5  o 316.2595 4.244057 12126.26       324.6459 11938.88       452.7635 12324.56       465.7491 313.7509 5.964639 318.7681 6.039137 -5.017181      8.488114 
1 1 1 13  15 6  o 221.7626 3.287641 5959.179       176.3893 5984.148       249.9516 5934.409       248.9557 222.2254 4.649005 221.2998 4.649848 0.9255524      6.575283 
1 1 1 13  15 7  o 254.0240 3.595860 7813.240       220.8256 8081.563       320.0252 7569.365       305.0984 258.1775 5.123463 249.8705 5.046875 8.306976       7.191719 
1 1 1 13  15 8  o 95.36302 2.743266 1101.519       63.26850 1108.486       90.85191 1094.960       88.15917 95.65406 3.925802 95.07199 3.832769 0.5820694      5.486532 
1 1 1 13  15 9  o 42.57244 5.035226 233.7622       48.19397 334.7944       68.47518 134.5888       67.84235 52.52116 5.388856 32.62373 8.507305 19.89742       10.07045 
1 1 1 13  15 10 o 65.92004 4.671484 527.3483       74.50314 527.3483       74.50314 0.000000       0.000000 65.92004 4.671484 ?        ?        ?              ?        
1 1 1 13  15 11 o 110.1634 2.664200 1472.215       70.98369 1468.750       99.04733 1475.874       101.7806 110.0341 3.720602 110.2927 3.814311 -0.2586288     5.328401 
1 1 1 13  15 12 o 118.6361 2.674367 1707.941       76.72475 1777.118       110.3279 1643.154       106.7699 120.9618 3.769941 116.3103 3.794272 4.651543       5.348734 
1 1 1 13  15 13 o 125.1244 2.709161 1904.064       81.97985 1952.121       117.9862 1859.206       113.9911 126.6460 3.850678 123.6028 3.811887 3.043175       5.418321 
1 1 1 13  15 14 o 124.5482 2.755365 1879.050       82.72082 2101.710       122.8643 1694.436       111.8761 131.2561 3.869045 117.8402 3.924111 13.41592       5.510731 
1 1 1 13  15 15 o 47.19071 4.300073 278.2364       48.74183 242.8893       69.36241 312.7182       68.50822 44.12476 6.497399 50.25667 5.634387 -6.131908      8.600146 
1 1 1 13  15 16 o 27.05111 5.922726 88.55339       44.06361 137.4335       67.54951 52.34824       58.13547 31.99035 8.559664 22.11186 8.188215 9.878494       11.84545 
1 1 1 13  15 17 o 47.88697 6.824614 312.9778       66.45197 309.9207       76.00008 322.9030       136.9396 49.29505 6.372478 46.47888 12.07033 2.816170       13.64923 
1 1 1 13  15 18 o 64.66795 4.757919 490.0119       59.72247 453.1870       66.01862 655.9191       140.1290 60.06543 4.542966 69.27046 8.361377 -9.205029      9.515838 
1 1 1 13  15 19 o 34.41245 7.016521 204.4614       59.43490 219.0266       64.12704 115.7168       158.2906 40.23493 6.587728 28.58996 12.39065 11.64496       14.03304 
1 1 1 13  17 0  o 235.0817 3.425465 6667.257       194.2996 6314.869       263.2371 7089.036       287.9906 228.2936 4.765967 241.8699 4.921463 -13.57628      6.850930 
1 1 1 13  17 1  o 310.3769 4.196443 11679.99       315.0576 11848.10       450.9698 11519.72       440.3380 312.5539 5.963761 308.1999 5.905429 4.354034       8.392886 
1 1 1 13  17 2  o 251.9120 3.596874 7653.380       218.5044 7240.327       294.8427 8156.618       325.4423 244.4192 4.986005 259.4048 5.185535 -14.98563      7.193749 
1 1 1 13  17 3  o 161.0029 2.822930 3132.455       109.8327 3307.626       159.9397 2976.129       151.0914 165.2523 4.000430 156.7535 3.984006 8.498718       5.645861 
1 1 1 13  17 4  o 111.4464 2.771792 1502.593       74.56407 1649.969       107.4155 1365.534       103.5876 116.7184 3.803869 106.1745 4.032605 10.54391       5.543584 
1 1 1 13  17 5  o 104.8339 2.780276 1331.459       70.48772 1337.235       98.40139 1325.371       101.0196 105.0697 3.870984 104.5982 3.991894 0.4715500      5.560552 
1 1 1 13  17 6  o 262.5879 3.695988 8358.435       234.7220 8545.821       337.4896 8182.871       326.6689 265.4330 5.255369 259.7428 5.198308 5.690186       7.391976 
1 1 1 13  17 7  o 59.59938 3.739741 435.7946       53.06929 522.8347       74.89217 348.0108       75.21146 65.66191 4.714336 53.53685 5.806694 12.12506       7.479483 
1 1 1 13  17 8  o 196.8154 3.106402 4697.249       147.8921 4663.645       206.9498 4732.321       211.4239 196.0996 4.362003 197.5311 4.424011 -1.431458      6.212805 
1 1 1 13  17 9  o 348.8392 4.628034 14831.29       390.5880 14905.50       554.0065 14757.95       550.7575 349.7056 6.548019 347.9728 6.542035 1.732819       9.256067 
1 1 1 13  17 10 o 79.62958 3.082875 769.8287       59.36477 803.2819       85.14348 738.1810       82.81390 81.31435 4.327947 77.94480 4.391509 3.369553       6.165750 
1 1 1 13  17 11 o 24.22767 5.907874 59.95633       43.53588 98.58940       64.61329 27.83353       58.91813 28.17278 8.649435 20.28257 8.049793 7.890213       11.81575 
1 1 1 13  17 12 o 103.3161 2.826387 1289.543       70.35038 1433.799       105.3652 1173.505       94.50014 108.4830 4.014517 98.14919 3.979637 10.33379       5.652775 
1 1 1 13  17 13 o 174.0948 2.973110 3690.143       124.9723 3939.993       183.9835 3476.112       170.2854 179.5317 4.235799 168.6579 4.173194 10.87383       5.946221 
1 1 1 13  17 14 f 36.81262 5.563571 178.5295       48.08474 153.9639       69.02312 201.6935       67.02505 34.13186 8.412519 39.49339 7.283050 -5.361523      11.12714 
1 1 1 13  17 15 o 90.18674 3.055405 998.6019       66.25570 1161.840       96.67414 854.0142       90.98395 97.19046 4.111349 83.18302 4.520930 14.00744       6.110810 
1 1 1 13  17 16 o 34.17004 6.209918 161.7323       51.96664 138.5742       74.55450 183.6158       72.47353 31.65316 9.191762 36.68691 8.352473 -5.033749      12.41984 
1 1 1 13  17 17 o 54.24540 4.315699 380.0986       56.42513 373.8466       82.96664 385.4789       76.96526 53.66710 6.389885 54.82371 5.802619 -1.156612      8.631397 
1 1 1 13  17 18 o 33.39298 6.275416 157.5756       55.27115 264.4115       85.51624 80.92854       72.43322 42.42048 8.626205 24.36548 9.116577 18.05500       12.55083 
1 1 1 13  19 0  o 89.63422 3.064778 969.8885       66.29103 878.7743       90.94345 1073.186       96.83282 85.15656 4.414190 94.11188 4.252809 -8.955315      6.129556 
1 1 1 13  19 1  o 176.2274 2.993275 3762.790       127.6151 3729.345       179.4192 3797.033       181.5496 175.4353 4.227168 177.0194 4.239084 -1.584091      5.986550 
1 1 1 13  19 2  o 179.4515 3.024392 3899.971       131.2658 4008.906       188.4480 3797.300       182.9499 181.8838 4.282479 177.0192 4.271786 4.864578       6.048784 
1 1 1 13  19 3  o 339.8748 4.525116 14028.10       372.0344 14194.75       531.8765 13868.46       520.5775 341.8438 6.431035 337.9058 6.367772 3.937988       9.050233 
1 1 1 13  19 4  o 259.4955 3.693645 8167.162       231.8524 8317.361       331.6702 8023.622       324.2338 261.8262 5.235897 257.1648 5.211281 4.661377       7.387290 
1 1 1 13  19 5  o 404.6254 5.265748 19938.29       515.4809 19913.06       727.4677 19963.74       730.5421 404.3723 7.435840 404.8785 7.457929 -0.5061951     10.53150 
1 1 1 13  19 6  o 183.1640 3.048207 4069.193       135.0756 4088.488       190.6965 4049.765       191.3567 183.6018 4.293028 182.7262 4.328530 0.8755188      6.096414 
1 1 1 13  19 7  f 79.31941 3.292995 765.3517       63.05471 739.7704       91.30268 788.6778       87.18539 78.03806 4.835871 80.60076 4.470975 -2.562698      6.585990 
1 1 1 13  19 8  f 139.1084 2.825845 2349.122       95.10445 2349.109       134.2476 2349.135       134.7498 139.1089 3.988865 139.1078 4.003819 0.1052856E-02  5.651690 
1 1 1 13  19 9  o 45.79150 4.494942 255.9869       49.53041 294.5063       71.93178 221.2566       68.30222 49.08378 6.057320 42.49922 6.642806 6.584560       8.989883 
1 1 1 13  19 10 o 106.0778 2.893851 1364.100       74.05526 1517.372       108.4352 1230.124       101.3802 111.6511 4.014256 100.5046 4.169321 11.14656       5.787702 
1 1 1 13  19 11 o 169.5626 2.989190 3495.561       122.3450 3714.992       180.6745 3309.734       166.2660 174.4383 4.281075 164.6868 4.172941 9.751465       5.978381 
1 1 1 13  19 12 o 67.39143 3.461292 557.9401       56.39122 531.0992       79.49890 585.1216       80.00195 65.73800 4.998530 69.04486 4.789243 -3.306862      6.922583 
1 1 1 13  19 13 o 28.26841 6.302443 103.1053       49.39994 71.73087       73.98430 128.3466       66.36005 25.38954 9.264153 31.14728 8.547433 -5.757738      12.60489 
1 1 1 13  19 14 o 41.36671 5.572815 226.3645       54.10608 172.8537       76.35556 280.3318       76.68060 35.69746 8.878053 47.03597 6.738342 -11.33851      11.14563 
1 1 1 13  19 15 o 45.45048 5.367130 269.9202       56.55915 352.7912       84.31933 202.1340       76.25995 52.45580 6.644026 38.44515 8.430970 14.01065       10.73426 
1 1 1 13  19 16 f 72.33302 3.852225 665.8908       67.31413 718.0723       97.28500 617.9615       93.23707 75.11040 5.353570 69.55566 5.540562 5.554741       7.704450 
1 1 1 13  19 17 o 16.63168 5.534178 -55.10981      57.32396 -44.42757      79.01294 -66.98067      83.29293 16.84361 7.863151 16.41974 7.789695 0.4238777      11.06836 
1 1 1 13  21 0  o 89.94803 3.130466 979.1721       68.05107 1039.934       98.72917 924.1764       93.92775 92.60198 4.406796 87.29407 4.447407 5.307915       6.260932 
1 1 1 13  21 1  o 257.3872 3.696825 8016.364       229.7339 8462.387       338.4322 7635.204       312.8582 263.9917 5.298819 250.7827 5.156413 13.20900       7.393651 
1 1 1 13  21 2  o 299.3951 4.116285 10888.11       298.0168 11152.79       429.7392 10642.88       413.6405 302.8870 5.864380 295.9034 5.777911 6.983612       8.232571 
1 1 1 13  21 3  o 131.7426 2.875102 2104.627       91.62720 2151.637       130.6165 2059.079       128.5686 133.1918 4.053389 130.2934 4.078590 2.898392       5.750205 
1 1 1 13  21 4  o 164.6037 2.953560 3285.286       117.5618 3432.474       168.8405 3146.771       163.7896 168.1828 4.149470 161.0246 4.204279 7.158173       5.907120 
1 1 1 13  21 5  o 62.30444 5.175364 472.2133       78.01215 0.000000       0.000000 472.2133       78.01215 ?        ?        62.30444 5.175364 ?              ?        
1 1 1 13  21 6  o 89.21428 3.156554 967.4551       68.12843 977.0331       96.93414 958.1052       95.77266 89.65010 4.469137 88.77846 4.458940 0.8716431      6.313107 
1 1 1 13  21 7  o 74.65094 3.494137 669.0831       62.62077 789.3532       95.18871 577.3193       83.14615 80.48302 4.888536 68.81886 4.993814 11.66417       6.988274 
1 1 1 13  21 8  o 103.6031 2.941666 1302.985       73.61205 1387.570       107.8738 1229.272       100.7021 106.7367 4.177341 100.4696 4.142875 6.267120       5.883332 
1 1 1 13  21 9  o 56.51882 5.689032 392.5464       77.79179 0.000000       0.000000 392.5464       77.79179 ?        ?        56.51882 5.689032 ?              ?        
1 1 1 13  21 10 o 130.6631 2.865343 2084.019       90.52372 2189.860       129.8671 1983.992       126.2493 133.9010 4.008786 127.4251 4.095167 6.475861       5.730686 
1 1 1 13  21 11 o 98.82115 3.098279 1197.777       73.99770 1125.734       103.7478 1272.377       105.5731 95.76649 4.477785 101.8758 4.283315 -6.109322      6.196559 
1 1 1 13  21 12 o 55.05328 4.385235 379.3783       58.28800 376.6943       79.80547 382.4472       85.33548 54.90225 6.008142 55.20430 6.389317 -0.3020439     8.770471 
1 1 1 13  21 13 o 24.91096 6.636134 68.03009       54.73595 54.04006       80.69651 79.95149       74.49189 24.00663 9.454611 25.81529 9.314689 -1.808657      13.27227 
1 1 1 13  21 14 o 33.95709 6.753512 163.9375       57.89070 172.7932       79.73772 154.0670       84.18260 34.99296 9.270494 32.92122 9.823322 2.071743       13.50702 
1 1 1 13  21 15 o 59.57836 4.517576 455.0625       63.94111 351.0626       84.96950 590.8505       97.09064 51.57159 6.810049 67.58514 5.937778 -16.01355      9.035151 
1 1 1 13  21 16 o 22.52229 6.477799 50.89180       58.43163 93.35257       78.55785 -1.689882      87.42042 25.46183 9.500591 19.58274 8.808309 5.879097       12.95560 
1 1 1 13  23 0  o 125.2299 2.917795 1903.536       88.31675 2024.103       126.5243 1788.971       123.3343 129.1039 4.050722 121.3560 4.200686 7.747849       5.835590 
1 1 1 13  23 1  o 207.8807 3.267493 5214.548       163.6354 5710.847       245.6204 4818.480       219.4204 216.6904 4.685140 199.0711 4.555820 17.61928       6.534986 
1 1 1 13  23 2  o 96.83200 3.056367 1135.723       71.25805 1302.351       103.9873 988.2092       97.84149 103.5220 4.151882 90.14196 4.486357 13.38008       6.112734 
1 1 1 13  23 3  o 123.6186 2.925565 1852.810       87.36049 1999.398       127.1329 1721.669       120.2473 128.2443 4.097488 118.9929 4.176877 9.251335       5.851129 
1 1 1 13  23 4  o 123.5558 2.873434 1849.530       85.69246 2033.049       125.4267 1688.883       117.3509 129.2896 4.009812 117.8219 4.116783 11.46767       5.746869 
1 1 1 13  23 5  o 57.71540 3.992447 409.0154       55.46958 396.5686       81.92234 419.5528       75.37740 56.86254 5.954891 58.56827 5.319569 -1.705730      7.984895 
1 1 1 13  23 6  o 117.1954 2.875278 1663.665       81.26353 1815.721       120.8720 1538.245       109.7757 122.0457 4.093558 112.3452 4.038772 9.700439       5.750556 
1 1 1 13  23 7  o 105.1094 3.162731 1347.580       79.78589 1376.430       121.2597 1325.553       105.9518 106.0337 4.726835 104.1852 4.203393 1.848465       6.325462 
1 1 1 13  23 8  o 40.56915 6.445091 214.4972       61.07037 233.5437       94.81293 200.9921       79.83794 41.99139 9.548524 39.14690 8.659242 2.844490       12.89018 
1 1 1 13  23 9  f 52.38933 4.724353 340.3187       59.00710 427.4076       87.44187 267.5013       79.95684 58.62168 6.165366 46.15697 7.160049 12.46471       9.448707 
1 1 1 13  23 10 o 108.1840 3.113589 1440.277       81.47441 1482.615       115.6755 1398.597       114.7743 109.7817 4.355210 106.5863 4.450829 3.195374       6.227177 
1 1 1 13  23 11 o 114.5184 3.075010 1617.972       85.09747 1729.549       122.0693 1512.481       118.6937 118.4025 4.261308 110.6342 4.434412 7.768356       6.150021 
1 1 1 13  23 12 o 23.39294 6.556744 35.92223       59.23383 98.64019       84.42022 -24.89797      83.13319 27.77139 9.927655 19.01449 8.567684 8.756907       13.11349 
1 1 1 13  23 13 o 60.92553 4.499202 486.1076       65.28862 550.3097       89.66433 413.6529       95.25299 65.68485 5.642248 56.16620 7.009729 9.518650       8.998404 
1 1 1 13  23 14 o 42.20139 6.376705 263.4264       63.01563 288.7045       85.80260 233.8259       92.84903 45.16246 8.152725 39.24031 9.807269 5.922150       12.75341 
1 1 1 13  23 15 o 36.02688 7.523094 220.8575       70.13755 200.8941       96.16830 243.5426       102.5145 34.30620 10.55547 37.74756 10.72240 -3.441364      15.04619 
1 1 1 13  25 0  o 147.1663 2.944120 2639.129       104.7809 2707.972       150.8929 2575.020       145.6133 149.0122 4.185474 145.3204 4.141640 3.691788       5.888240 
1 1 1 13  25 1  o 94.52761 3.119853 1090.162       71.31075 1116.534       102.9549 1065.843       98.86652 95.61793 4.450466 93.43729 4.373476 2.180634       6.239706 
1 1 1 13  25 2  o 66.16251 3.921261 539.6490       62.43853 516.4770       91.92651 559.4951       85.07391 64.77911 5.865479 67.54591 5.205890 -2.766808      7.842521 
1 1 1 13  25 3  o 69.95473 3.721300 603.5133       62.64834 568.6874       91.72358 633.9663       85.77186 67.99107 5.576052 71.91840 4.929495 -3.927338      7.442599 
1 1 1 13  25 4  o 67.15615 3.816190 554.0007       61.63039 563.8062       92.70574 546.2350       82.50109 67.62949 5.665890 66.68281 5.113797 0.9466858      7.632380 
1 1 1 13  25 5  o 114.6278 3.012587 1606.790       83.39093 1631.480       122.1072 1585.210       114.1588 115.4164 4.372919 113.8391 4.144914 1.577316       6.025175 
1 1 1 13  25 6  o 108.2989 3.038059 1434.123       79.43807 1494.561       116.9488 1382.350       108.2407 110.3839 4.379131 106.2140 4.212174 4.169830       6.076117 
1 1 1 13  25 7  o 95.48766 3.300273 1105.824       75.63111 1311.816       114.9827 948.7385       100.4094 103.2289 4.603933 87.74642 4.729801 15.48247       6.600547 
1 1 1 13  25 8  o 109.8343 3.211165 1480.990       84.86919 1712.683       124.4782 1279.734       116.0145 117.9039 4.363780 101.7646 4.712086 16.13932       6.422330 
1 1 1 13  25 9  o 97.84852 3.234549 1184.605       76.52065 1245.649       110.1245 1127.616       106.4044 100.3013 4.538111 95.39574 4.610291 4.905563       6.469099 
1 1 1 13  25 10 o 111.5467 3.226907 1545.972       87.03246 1609.978       125.6543 1486.952       120.6624 113.7619 4.565392 109.3314 4.561678 4.430458       6.453814 
1 1 1 13  25 11 o 44.90408 6.003951 277.7267       63.57075 318.8880       90.05524 236.8431       89.75077 49.04355 7.589704 40.76460 9.305165 8.278946       12.00790 
1 1 1 13  25 12 o 62.64585 4.722660 518.7861       71.34365 466.4697       99.15796 574.9365       102.7270 59.17137 6.926497 66.12034 6.421658 -6.948971      9.445319 
1 1 1 13  25 13 o 16.67586 5.603387 -79.03193      63.41506 -24.59661      83.68158 -152.4636      97.19217 18.10151 8.324066 15.25021 7.503446 2.851309       11.20677 
1 1 1 13  27 0  o 59.59458 4.419037 439.9758       63.52127 475.2940       94.41399 410.7677       85.85941 61.74787 6.319927 57.44128 6.178193 4.306587       8.838074 
1 1 1 13  27 1  o 40.36053 6.388865 217.4236       60.58190 210.6821       90.66782 222.8609       81.42674 39.60128 9.569804 41.11979 8.466949 -1.518509      12.77773 
1 1 1 13  27 2  o 19.38081 6.091480 -20.60655      56.62707 -12.11669      86.91016 -26.86957      74.64698 20.56277 9.040773 18.19884 8.166329 2.363930       12.18296 
1 1 1 13  27 3  o 73.76143 3.814335 676.1718       67.74391 660.3237       100.1042 689.5621       92.01491 72.86362 5.678572 74.65924 5.094157 -1.795616      7.628671 
1 1 1 13  27 4  o 100.2619 3.285745 1228.350       79.21419 1434.175       118.3733 1061.429       106.6008 107.8383 4.537103 92.68547 4.753860 15.15281       6.571491 
1 1 1 13  27 5  f 40.54941 6.300786 215.9343       60.10499 288.0114       92.65532 163.5679       78.97651 46.46565 8.557372 34.63317 9.250460 11.83249       12.60157 
1 1 1 13  27 6  o 39.04142 6.564285 202.4070       61.71249 284.5905       95.25143 142.9530       81.01585 45.81881 8.913465 32.26404 9.638957 13.55477       13.12857 
1 1 1 13  27 7  o 42.32594 6.002358 239.3942       60.27914 298.4995       88.69797 188.6677       82.17087 47.85389 7.661154 36.79800 9.242291 11.05589       12.00472 
1 1 1 13  27 8  o 41.64588 7.803144 272.5853       85.19455 156.6924       133.9370 351.3385       110.4095 33.25928 12.40621 50.03248 9.467955 -16.77320      15.60629 
1 1 1 13  27 9  o 27.33227 7.267126 97.13623       65.61531 80.66525       94.33833 112.5712       91.32324 26.12192 10.24322 28.54262 10.31120 -2.420692      14.53425 
1 1 1 13  27 10 o 31.61458 8.801044 156.7038       98.62982 154.7888       147.8544 158.2392       132.3906 31.56908 12.67712 31.66007 12.21164 -0.9098816E-01 17.60209 
1 1 1 13  27 11 o 43.57700 9.424191 365.4431       107.8228 376.9185       170.2854 357.7632       139.3063 42.71712 14.14569 44.43689 12.45636 -1.719769      18.84838 
1 1 1 14  0  0  o 26.54327 2.417417 89.39347       20.95351 89.39347       20.95351 89.39347       20.95351 26.54327 3.418744 26.54327 3.418744 0.000000       0.000000 
1 1 1 14  0  1  o 163.1261 2.563660 3224.334       142.9277 3224.334       142.9277 3224.334       142.9277 163.1261 3.625562 163.1261 3.625562 0.000000       0.000000 
1 1 1 14  0  2  o 224.2085 3.166457 6089.783       242.6901 6089.783       242.6901 6089.783       242.6901 224.2085 4.478046 224.2085 4.478046 0.000000       0.000000 
1 1 1 14  0  3  o 410.0601 5.237108 20371.90       734.2377 20371.90       734.2377 20371.90       734.2377 410.0601 7.406389 410.0601 7.406389 0.000000       0.000000 
1 1 1 14  0  4  o 62.25041 2.040481 471.8125       43.24750 471.8125       43.24750 471.8125       43.24750 62.25041 2.885676 62.25041 2.885676 0.000000       0.000000 
1 1 1 14  0  5  o 780.9263 9.640718 73929.17       2574.176 73929.17       2574.176 73929.17       2574.176 780.9263 13.63403 780.9263 13.63403 0.000000       0.000000 
1 1 1 14  0  6  o 96.04047 2.127798 1119.139       69.76466 1119.139       69.76466 1119.139       69.76466 96.04047 3.009161 96.04047 3.009161 0.000000       0.000000 
1 1 1 14  0  7  o 547.6077 6.853645 36338.99       1283.221 36338.99       1283.221 36338.99       1283.221 547.6077 9.692518 547.6077 9.692518 0.000000       0.000000 
1 1 1 14  0  8  o 962.8097 11.86061 112654.8       3904.519 112654.8       3904.519 112654.8       3904.519 962.8097 16.77344 962.8097 16.77344 0.000000       0.000000 
1 1 1 14  0  9  o 117.5299 2.268346 1675.069       91.06319 1675.069       91.06319 1675.069       91.06319 117.5299 3.207925 117.5299 3.207925 0.000000       0.000000 
1 1 1 14  0  10 o 257.8826 3.544769 8059.689       312.5049 8059.689       312.5049 8059.689       312.5049 257.8826 5.013061 257.8826 5.013061 0.000000       0.000000 
1 1 1 14  0  11 f 24.91441 4.416776 87.91880       32.56785 87.91880       32.56785 87.91880       32.56785 24.91441 6.246264 24.91441 6.246264 0.000000       0.000000 
1 1 1 14  0  12 o 430.6535 5.498689 22513.75       809.6269 22513.75       809.6269 22513.75       809.6269 430.6535 7.776320 430.6535 7.776320 0.000000       0.000000 
1 1 1 14  0  13 o 101.5412 2.358367 1251.982       81.73499 1251.982       81.73499 1251.982       81.73499 101.5412 3.335234 101.5412 3.335234 0.000000       0.000000 
1 1 1 14  0  14 o 81.37366 2.398418 805.7941       66.51308 805.7941       66.51308 805.7941       66.51308 81.37366 3.391875 81.37366 3.391875 0.000000       0.000000 
1 1 1 14  0  15 o 121.6769 2.449858 1797.534       101.8050 1797.534       101.8050 1797.534       101.8050 121.6769 3.464623 121.6769 3.464623 0.000000       0.000000 
1 1 1 14  0  16 o 244.5669 3.462272 7272.411       289.4565 7272.411       289.4565 7272.411       289.4565 244.5669 4.896392 244.5669 4.896392 0.000000       0.000000 
1 1 1 14  0  20 o 13.76011 6.157333 13.70932       62.28962 13.70932       62.28962 13.70932       62.28962 13.76011 8.707785 13.76011 8.707785 0.000000       0.000000 
1 1 1 14  2  0  o 331.0324 4.983945 13381.72       349.4943 13498.79       406.7975 13051.75       682.9424 333.9317 5.035220 328.1331 8.602640 5.798584       9.967891 
1 1 1 14  2  1  o 53.04716 2.290365 347.8829       25.07242 354.9463       28.89403 326.3534       50.44518 54.16478 2.204899 51.92955 4.015160 2.235237       4.580730 
1 1 1 14  2  2  o 332.2524 5.048765 13166.96       344.4336 12991.02       392.6915 13753.72       717.1370 327.6146 4.954342 336.8902 8.798557 -9.275604      10.09753 
1 1 1 14  2  3  o 979.1678 24.24811 117263.5       5744.302 0.000000       0.000000 117263.5       5744.302 ?        ?        979.1678 24.24811 ?              ?        
1 1 1 14  2  4  o 139.9512 2.754810 2363.151       80.39228 2356.661       92.54748 2383.105       162.2746 139.5687 2.740780 140.3336 4.779544 -0.7648926     5.509621 
1 1 1 14  2  5  o 357.7935 5.393129 15235.90       395.0823 15012.74       449.7226 15990.48       826.9847 352.2209 5.277489 363.3661 9.406992 -11.14523      10.78626 
1 1 1 14  2  6  o 299.3756 4.590719 10904.51       289.7527 10963.40       336.1096 10734.09       571.7576 301.0025 4.615392 297.7487 7.937062 3.253754       9.181437 
1 1 1 14  2  7  o 269.1596 4.244638 8621.963       234.6577 8494.073       267.4705 9049.376       488.9690 264.9438 4.172726 273.3754 7.392981 -8.431610      8.489276 
1 1 1 14  2  8  o 377.4412 5.629170 17234.31       443.8203 17205.16       511.5495 17323.02       892.5270 376.9656 5.608976 377.9168 9.761641 -0.9512024     11.25834 
1 1 1 14  2  9  o 228.7481 3.741485 6349.375       179.1237 6361.133       206.8322 6314.099       358.2576 229.2437 3.729224 228.2524 6.487506 0.9913330      7.482970 
1 1 1 14  2  10 o 207.9756 3.511136 5213.176       151.7528 5187.941       174.3363 5292.088       308.2907 207.0181 3.480786 208.9332 6.098887 -1.915161      7.022271 
1 1 1 14  2  11 o 323.3170 4.961639 12538.54       330.2871 12403.78       377.3121 12980.37       683.1789 319.9404 4.874492 326.6935 8.643540 -6.753082      9.923279 
1 1 1 14  2  12 o 257.0766 4.093278 8160.587       224.6242 8329.296       263.4103 7710.887       430.0567 262.2109 4.152214 251.9423 7.055411 10.26857       8.186557 
1 1 1 14  2  13 o 339.8204 5.182916 14006.40       367.2286 13968.54       422.8781 14122.55       740.5904 339.3556 5.150600 340.2852 8.995654 -0.9295349     10.36583 
1 1 1 14  2  14 o 86.65695 3.016754 938.4631       51.89359 960.5102       58.91092 862.1059       109.6339 89.06180 2.734022 84.25211 5.378507 4.809685       6.033508 
1 1 1 14  2  15 o 175.2883 3.944405 3729.071       167.2772 3729.071       167.2772 0.000000       0.000000 175.2883 3.944405 ?        ?        ?              ?        
1 1 1 14  2  16 o 27.03155 3.975549 80.56202       33.40443 198.8555       47.85770 -31.82464      46.64753 40.38218 4.898462 13.68092 6.262990 26.70126       7.951099 
1 1 1 14  2  17 o 30.86802 6.063570 103.9282       44.28346 182.8673       83.35074 72.88293       52.27101 37.35075 9.267878 24.38529 7.821380 12.96546       12.12714 
1 1 1 14  2  18 o 69.18723 4.209921 586.4629       70.46967 0.000000       0.000000 586.4629       70.46967 ?        ?        69.18723 4.209921 ?              ?        
1 1 1 14  2  19 o 29.94765 5.734660 121.2508       42.82497 101.4511       65.14222 136.3211       56.83207 27.81773 8.708772 32.07756 7.463416 -4.259832      11.46932 
1 1 1 14  2  20 o 27.01069 5.988955 98.44997       43.54581 98.12436       62.25127 98.76196       60.93596 26.98109 8.522998 27.04029 8.415989 -0.5920219E-01 11.97791 
1 1 1 14  4  0  o 181.1972 2.749665 3973.120       120.5393 3965.584       169.9906 3980.742       170.9500 181.0245 3.881371 181.3699 3.895844 -0.3453674     5.499331 
1 1 1 14  4  1  o 132.5758 2.318828 2124.494       74.33784 2204.858       107.1585 2049.941       103.2117 134.9901 3.281123 130.1615 3.277512 4.828644       4.637656 
1 1 1 14  4  2  o 313.6412 4.145704 11902.60       314.4927 11700.52       438.4295 12116.79       451.3724 310.9014 5.828742 316.3810 5.896882 -5.479553      8.291408 
1 1 1 14  4  3  o 378.7403 4.886738 17278.11       446.1081 16413.80       600.3130 18344.07       666.6770 368.2227 6.738526 389.2579 7.079062 -21.03525      9.773477 
1 1 1 14  4  4  o 647.5699 8.035915 50767.21       1258.030 51986.52       1822.549 49657.55       1738.661 654.9763 11.50142 640.1636 11.22591 14.81274       16.07183 
1 1 1 14  4  5  o 379.8876 5.674631 17309.48       445.6677 17161.03       510.2606 17787.03       915.1622 376.5688 5.600739 383.2064 9.871042 -6.637604      11.34926 
1 1 1 14  4  6  o 259.0156 4.099654 8149.790       223.1861 8180.509       258.3749 8059.488       442.9858 260.0143 4.107247 258.0169 7.096420 1.997375       8.199308 
1 1 1 14  4  7  o 585.6421 8.431394 41729.96       1038.651 41857.44       1202.856 41356.34       2059.305 587.8158 8.458045 583.4683 14.58818 4.347473       16.86279 
1 1 1 14  4  8  o 362.8068 5.455774 15856.43       410.6065 15764.90       471.2171 16145.15       836.9154 360.8275 5.397829 364.7860 9.482897 -3.958496      10.91155 
1 1 1 14  4  9  o 466.8848 6.856353 26413.48       666.7639 26340.32       767.3702 26638.91       1347.005 466.1078 6.804813 467.6617 11.90516 -1.553894      13.71271 
1 1 1 14  4  10 o 55.15855 3.065892 355.1192       32.40923 347.0031       35.92517 390.6009       75.11513 53.54598 2.773127 56.77111 5.468872 -3.225132      6.131785 
1 1 1 14  4  11 o 25.68078 4.926191 88.26324       26.46436 95.52623       28.57933 44.56871       70.09834 28.08254 4.206427 23.27902 8.909288 4.803520       9.852383 
1 1 1 14  4  12 o 87.26668 3.077230 928.6234       57.87632 935.7868       68.01071 909.8156       110.2019 87.91396 3.197548 86.61938 5.258617 1.294579       6.154459 
1 1 1 14  4  13 o 142.4551 3.037465 2427.944       87.32539 2402.605       98.90502 2517.549       185.9886 140.8671 2.902061 144.0431 5.336929 -3.176041      6.074929 
1 1 1 14  4  14 o 146.5833 3.101733 2608.601       92.45995 2610.207       105.3437 2603.212       192.9408 146.7962 2.966139 146.3703 5.448396 0.4258423      6.203466 
1 1 1 14  4  15 o 53.37635 4.630738 327.9737       57.54958 279.1196       70.61151 424.6282       99.31983 47.83180 6.101779 58.92089 6.967297 -11.08910      9.261476 
1 1 1 14  4  16 o 105.0247 3.162668 1310.431       73.11035 1265.395       86.25554 1425.342       137.7796 102.0491 3.493619 108.0003 5.272998 -5.951210      6.325337 
1 1 1 14  4  17 o 159.7886 3.238204 3065.536       104.6961 3018.113       118.6287 3232.600       222.6565 157.5358 3.112491 162.0415 5.679458 -4.505692      6.476407 
1 1 1 14  4  18 o 95.03694 2.603252 1103.152       59.83236 1061.375       83.52908 1147.177       85.74593 93.18395 3.705051 96.88992 3.657907 -3.705971      5.206504 
1 1 1 14  4  19 o 31.75852 5.591763 134.3786       42.78912 147.6171       62.62403 122.7860       58.60193 33.21855 7.906343 30.29849 7.909549 2.920061       11.18353 
1 1 1 14  4  20 o 44.39793 6.384374 253.2643       68.57776 0.000000       0.000000 253.2643       68.57776 ?        ?        44.39793 6.384374 ?              ?        
1 1 1 14  6  0  o 651.5681 8.091775 51479.59       1275.575 51507.42       1804.276 51451.79       1803.594 651.7443 11.44257 651.3920 11.44443 0.3522949      16.18355 
1 1 1 14  6  1  o 171.3429 2.690898 3550.313       111.5122 3476.198       155.2816 3629.236       160.2394 169.4977 3.786640 173.1881 3.824275 -3.690414      5.381796 
1 1 1 14  6  2  o 354.1191 4.605644 15170.94       394.4351 15459.68       567.4405 14901.00       548.6642 357.3759 6.562855 350.8625 6.463495 6.513397       9.211288 
1 1 1 14  6  3  o 782.2107 9.655184 74170.02       1826.648 75240.03       2622.298 73161.43       2545.935 787.6740 13.76047 776.7473 13.54769 10.92670       19.31037 
1 1 1 14  6  4  o 322.9009 4.255756 12564.95       331.4328 11975.00       447.8075 13279.57       492.8580 314.5588 5.884198 331.2431 6.149965 -16.68433      8.511513 
1 1 1 14  6  5  o 462.3474 5.848155 25878.40       654.0294 25565.88       913.6495 26206.86       936.6538 459.4882 8.218698 465.2067 8.322061 -5.718506      11.69631 
1 1 1 14  6  6  o 455.6282 5.773634 25122.87       636.0471 24600.17       880.8617 25692.28       919.3876 450.6864 8.078505 460.5699 8.250890 -9.883514      11.54727 
1 1 1 14  6  7  o 114.2613 2.326524 1575.454       64.22301 1495.186       88.04518 1666.725       93.88605 111.1598 3.273826 117.3629 3.306496 -6.203102      4.653048 
1 1 1 14  6  8  o 96.34582 2.219902 1121.116       51.67886 1203.104       74.82726 1046.343       71.45894 99.70748 3.101914 92.98415 3.176474 6.723328       4.439804 
1 1 1 14  6  9  o 148.2749 3.005151 2640.039       90.57040 2621.584       102.9638 2703.153       190.4132 147.1788 2.891590 149.3710 5.269006 -2.192108      6.010301 
1 1 1 14  6  10 o 110.5973 2.629277 1480.357       70.35307 1480.357       70.35307 0.000000       0.000000 110.5973 2.629277 ?        ?        ?              ?        
1 1 1 14  6  11 o 196.7427 3.441917 4753.706       142.2696 4819.103       165.1071 4565.140       280.3616 199.5000 3.420743 193.9854 5.973751 5.514557       6.883835 
1 1 1 14  6  12 o 250.0184 4.958547 7594.575       299.8127 7515.765       417.1744 7678.763       431.1704 248.6904 6.933562 251.3465 7.090450 -2.656067      9.917094 
1 1 1 14  6  13 o 161.8727 3.218570 3161.018       105.3431 3147.566       119.5867 3207.615       222.5643 161.2164 3.065994 162.5290 5.660076 -1.312668      6.437141 
1 1 1 14  6  14 o 55.88218 4.176445 382.8500       40.44427 384.0720       43.94581 376.0857       103.3950 56.29536 3.226581 55.46900 7.704540 0.8263588      8.352890 
1 1 1 14  6  15 o 91.28316 3.385128 1079.770       57.45328 1121.094       64.13824 911.9572       129.2501 96.17272 2.756530 86.39359 6.183681 9.779137       6.770256 
1 1 1 14  6  16 o 94.30103 3.170822 1077.531       57.25531 1072.926       63.75365 1096.728       130.1700 94.02347 2.802634 94.57860 5.688734 -0.5551300     6.341644 
1 1 1 14  6  17 o 82.36705 3.476601 810.6399       53.67156 798.0945       59.23484 868.1737       126.8519 81.00233 3.022577 83.73177 6.261873 -2.729439      6.953203 
1 1 1 14  6  18 o 90.53642 3.399264 1007.597       59.99676 1005.507       67.28498 1015.705       132.5416 90.81657 3.062321 90.25627 6.069775 0.5602951      6.798528 
1 1 1 14  6  19 o 33.70926 6.803087 125.0743       44.95474 109.5625       48.63599 216.0619       117.7928 28.72657 7.050415 38.69195 11.63699 -9.965380      13.60617 
1 1 1 14  6  20 o 25.77519 7.158013 72.44674       59.37391 69.05642       68.89175 82.23676       117.0680 23.96239 8.905622 27.58799 11.20886 -3.625597      14.31603 
1 1 1 14  8  0  o 705.3016 8.735852 60215.41       1488.991 58648.92       2048.135 61971.47       2168.521 695.6071 12.17005 714.9961 12.53596 -19.38898      17.47170 
1 1 1 14  8  1  o 492.4973 6.217715 29326.51       739.9365 30220.62       1079.289 28533.56       1016.397 499.5617 8.929897 485.4330 8.654296 14.12878       12.43543 
1 1 1 14  8  2  o 296.2884 3.974155 10620.14       284.8128 10460.72       397.5600 10788.23       408.2240 294.0056 5.589137 298.5712 5.651300 -4.565613      7.948310 
1 1 1 14  8  3  o 580.1171 7.243294 40685.55       1014.918 39394.73       1387.988 42168.77       1487.831 570.2642 10.06022 589.9700 10.42369 -19.70581      14.48659 
1 1 1 14  8  4  o 342.4940 6.340509 14198.73       525.3871 0.000000       0.000000 14198.73       525.3871 ?        ?        342.4940 6.340509 ?              ?        
1 1 1 14  8  5  o 172.5360 2.743218 3600.776       114.4891 3683.435       163.6959 3521.624       160.1851 174.4737 3.877979 170.5984 3.881012 3.875351       5.486435 
1 1 1 14  8  6  o 163.0818 3.238138 3173.285       119.7426 3091.482       144.9341 3349.197       212.5369 159.8328 3.748024 166.3309 5.281523 -6.498047      6.476277 
1 1 1 14  8  7  o 417.0515 5.339625 21003.28       537.1333 22134.07       798.1109 20067.06       726.2119 427.2498 7.721097 406.8531 7.377739 20.39670       10.67925 
1 1 1 14  8  8  o 42.68059 3.034965 220.6231       31.31965 230.4079       44.42043 210.9500       44.16602 43.62265 4.208898 41.73853 4.373698 1.884129       6.069931 
1 1 1 14  8  9  o 139.9445 3.516804 2370.990       119.0711 2370.990       119.0711 0.000000       0.000000 139.9445 3.516804 ?        ?        ?              ?        
1 1 1 14  8  10 o 168.4213 2.711662 3430.845       110.4230 3574.880       159.5074 3298.291       153.0180 171.8113 3.837308 165.0312 3.832428 6.780075       5.423324 
1 1 1 14  8  11 o 100.3475 2.970679 1185.908       57.99645 1163.548       64.66804 1277.811       131.1043 98.04263 2.726292 102.6524 5.278926 -4.609756      5.941358 
1 1 1 14  8  12 o 296.8426 4.645974 10728.46       288.2105 10749.50       332.6274 10665.08       577.3042 297.7654 4.617229 295.9198 8.063590 1.845642       9.291947 
1 1 1 14  8  13 o 109.2762 3.006018 1417.064       64.99636 1394.784       72.96527 1502.677       143.0298 107.3189 2.810204 111.2335 5.314823 -3.914574      6.012037 
1 1 1 14  8  14 o 138.3248 3.154215 2246.502       85.35083 2194.475       95.26950 2458.061       192.1107 134.5671 2.926258 142.0824 5.588677 -7.515289      6.308431 
1 1 1 14  8  15 o 87.32002 3.293487 903.2274       54.54237 888.0455       60.36491 970.7318       127.2883 85.56241 2.916078 89.07764 5.906328 -3.515236      6.586974 
1 1 1 14  8  16 o 96.70033 3.268130 1176.148       60.44951 1198.414       67.70463 1088.638       134.2217 99.33892 2.817063 94.06173 5.898037 5.277191       6.536260 
1 1 1 14  8  17 o 95.50455 3.454312 1148.867       62.16877 1166.304       69.26611 1076.621       140.9906 97.90536 2.924233 93.10373 6.259228 4.801628       6.908623 
1 1 1 14  8  18 o 52.34366 6.112874 463.0884       48.87889 508.7804       53.41086 227.6026       121.2528 64.49542 3.422932 40.19189 11.73680 24.30353       12.22575 
1 1 1 14  8  19 o 16.00476 5.223100 -26.04703      42.03252 3.424042       45.56068 -194.5271      108.9348 15.76382 6.736993 16.24570 7.983484 -0.4818821     10.44620 
1 1 1 14  8  20 o 42.93002 6.517571 233.2748       53.67934 214.4584       59.24319 319.5717       126.8725 40.71971 6.013558 45.14034 11.56512 -4.420635      13.03514 
1 1 1 14  10 0  o 870.2367 13.59520 85228.90       2444.166 105603.8       5233.849 79546.23       2764.075 930.7219 23.24336 809.7515 14.10899 120.9704       27.19040 
1 1 1 14  10 1  o 856.2621 12.82145 90291.59       2567.934 94043.70       3279.243 84342.66       4129.098 880.1484 15.39981 832.3757 20.50376 47.77264       25.64290 
1 1 1 14  10 2  o 586.8568 9.023141 41419.91       1192.679 40825.88       1438.807 42724.57       2132.287 580.4567 10.24543 593.2569 14.85595 -12.80017      18.04628 
1 1 1 14  10 3  o 626.6559 7.810982 47350.56       1179.096 45007.39       1581.355 50284.27       1769.439 609.3311 10.72689 643.9808 11.35692 -34.64966      15.62196 
1 1 1 14  10 4  o 505.3181 6.366093 30939.13       778.1772 31261.42       1111.867 30629.69       1089.492 507.8925 9.048542 502.7438 8.957255 5.148743       12.73219 
1 1 1 14  10 5  o 166.6314 2.757985 3359.087       111.1540 3308.401       154.9501 3412.821       159.5414 165.3374 3.873631 167.9253 3.926947 -2.587860      5.515971 
1 1 1 14  10 6  o 345.6757 4.532714 14460.75       378.6962 14077.67       521.5876 14887.80       550.7133 340.8486 6.325042 350.5027 6.494292 -9.654114      9.065429 
1 1 1 14  10 7  o 151.3001 2.604286 2771.265       95.32680 2788.556       134.5445 2753.835       135.0820 151.7746 3.664077 150.8256 3.701861 0.9489441      5.208573 
1 1 1 14  10 8  o 198.0157 3.695261 4817.547       168.2703 4974.944       209.7096 4533.016       281.9587 202.6770 4.276728 193.3544 6.027387 9.322525       7.390521 
1 1 1 14  10 9  o 359.1091 4.687535 15646.69       407.1710 15451.90       568.6469 15851.64       583.2855 356.8235 6.586987 361.3946 6.671097 -4.571014      9.375070 
1 1 1 14  10 10 o 315.5402 4.204690 12041.67       320.2607 12640.21       472.6836 11533.74       435.4394 322.7482 6.053470 308.3323 5.837224 14.41586       8.409381 
1 1 1 14  10 11 o 312.5286 4.177691 11855.89       315.8734 11792.68       444.4508 11920.40       449.0091 311.6896 5.893849 313.3677 5.922412 -1.678070      8.355383 
1 1 1 14  10 12 o 123.0425 2.544472 1834.103       75.72770 1890.174       107.7798 1779.435       106.4234 124.9012 3.566714 121.1838 3.629864 3.717453       5.088945 
1 1 1 14  10 13 o 60.06124 4.312974 443.2001       43.51601 444.7216       46.98667 434.0273       115.3685 60.57528 3.206099 59.54720 8.007990 1.028080       8.625948 
1 1 1 14  10 14 o 166.5016 3.363720 3448.010       114.7711 3516.676       131.8888 3233.790       232.9529 170.2675 3.201651 162.7357 5.916745 7.531708       6.727439 
1 1 1 14  10 15 o 122.9449 3.237200 1813.517       76.90134 1793.349       85.73959 1896.490       173.9071 121.5426 2.915753 124.3473 5.780679 -2.804710      6.474401 
1 1 1 14  10 16 o 132.0153 3.263949 2098.040       83.81955 2073.289       93.67004 2197.501       187.7720 130.5774 2.965039 133.4531 5.815669 -2.875748      6.527899 
1 1 1 14  10 17 o 34.19911 6.337379 155.7580       42.36507 159.8684       45.64000 130.1606       113.8934 35.95858 5.246151 32.43964 11.53808 3.518936       12.67476 
1 1 1 14  10 18 f 60.99381 4.854714 516.0082       52.25450 540.5966       57.90223 408.0904       121.3044 66.37052 3.605933 55.61710 9.015001 10.75342       9.709429 
1 1 1 14  10 19 o 34.93222 6.714041 114.2569       46.10129 81.60003       49.93686 302.6770       119.9492 24.70667 7.607016 45.15776 11.06556 -20.45108      13.42808 
1 1 1 14  10 20 o 66.04654 5.944326 572.6377       91.75666 433.4325       114.4703 822.8436       153.4667 55.40936 8.539009 76.68371 8.271963 -21.27435      11.88865 
1 1 1 14  12 0  o 667.5853 8.302011 53813.69       1335.784 56850.33       1996.454 51352.50       1797.360 684.5047 12.05537 650.6658 11.41760 33.83887       16.60402 
1 1 1 14  12 1  o 410.2808 5.274343 20376.35       523.3018 20002.08       726.8514 20779.12       754.0168 406.3763 7.392902 414.1852 7.524613 -7.808899      10.54869 
1 1 1 14  12 2  o 294.6808 3.991631 10513.18       284.5735 10462.93       400.7944 10564.26       404.1218 293.9712 5.635268 295.3904 5.654751 -1.419189      7.983261 
1 1 1 14  12 3  o 240.7196 3.432651 7007.213       199.7748 7221.823       289.2076 6811.355       276.2837 244.2393 4.894314 237.1999 4.814359 7.039444       6.865301 
1 1 1 14  12 4  o 363.0251 4.743019 15961.52       416.3734 15668.76       578.0726 16277.16       600.2342 359.5742 6.644948 366.4760 6.769753 -6.901825      9.486037 
1 1 1 14  12 5  o 160.3808 2.741869 3110.477       106.3295 3010.710       147.3929 3218.739       153.5405 157.7026 3.863096 163.0590 3.892027 -5.356445      5.483738 
1 1 1 14  12 6  o 347.2526 4.562860 14618.24       383.2704 14809.00       548.4508 14436.17       535.8221 349.4618 6.486877 345.0435 6.418661 4.418243       9.125721 
1 1 1 14  12 7  o 241.8881 3.431916 7084.849       200.7682 7241.242       288.7451 6938.471       279.3463 244.4686 4.881904 239.3076 4.824853 5.160995       6.863832 
1 1 1 14  12 8  o 317.6924 5.146551 12432.31       381.4513 11568.11       616.5920 12968.12       485.5102 308.4368 8.262841 326.9480 6.137867 -18.51120      10.29310 
1 1 1 14  12 9  o 80.54184 2.652226 781.9401       51.53409 707.0279       70.39448 868.4539       75.64934 76.40324 3.808241 84.68044 3.692493 -8.277199      5.304452 
1 1 1 14  12 10 o 178.6967 2.884747 3862.880       124.6075 4024.196       180.8964 3717.225       171.8914 182.2393 4.102847 175.1541 4.056315 7.085297       5.769493 
1 1 1 14  12 11 o 236.0215 3.412980 6753.689       194.7898 6632.963       270.3368 6884.050       280.9164 233.8358 4.778502 238.2071 4.874386 -4.371307      6.825960 
1 1 1 14  12 12 o 197.9816 3.052148 4753.059       146.1342 4898.746       210.3404 4617.127       203.1758 200.9102 4.327314 195.0530 4.305436 5.857224       6.104295 
1 1 1 14  12 13 o 75.52490 2.759959 691.9154       50.38579 651.9254       70.18880 734.4342       72.37397 73.27144 3.959413 77.77837 3.846106 -4.506935      5.519917 
1 1 1 14  12 14 o 64.82518 2.988090 509.7808       46.77247 552.4429       68.52778 472.5736       63.99694 67.35670 4.205170 62.29366 4.246323 5.063034       5.976179 
1 1 1 14  12 15 o 67.74641 4.379831 551.9877       50.87603 545.9508       55.00328 587.7455       133.8646 66.97393 3.394537 68.51890 8.075197 -1.544968      8.759663 
1 1 1 14  12 16 o 72.09738 3.800491 588.9718       51.99907 559.2034       57.18550 731.1124       124.9588 67.69486 3.491627 76.49991 6.751554 -8.805046      7.600983 
1 1 1 14  12 17 o 20.93579 6.301642 -37.54487      42.31388 -62.04467      45.77615 106.2820       110.9119 11.72238 5.619739 30.14920 11.28102 -18.42682      12.60328 
1 1 1 14  12 18 o 84.09915 4.157963 913.5678       64.33208 924.7088       71.26022 864.4854       149.5715 86.76097 3.394849 81.43733 7.591419 5.323639       8.315927 
1 1 1 14  12 19 f 53.99449 6.015315 423.1753       56.01793 435.2716       62.05229 369.8989       130.2264 58.92755 4.352484 49.06144 11.21570 9.866108       12.03063 
1 1 1 14  12 20 o 19.53463 6.617101 -66.29329      80.47714 -59.38132      94.66613 -84.30696      152.8251 17.69271 8.367411 21.37655 10.25332 -3.683844      13.23420 
1 1 1 14  14 0  o 540.9767 6.827328 35538.14       893.4882 35243.71       1253.022 35842.71       1274.415 538.7065 9.614003 543.2469 9.696421 -4.540344      13.65466 
1 1 1 14  14 1  o 251.2847 3.550402 7615.628       215.2722 7235.157       291.7235 8070.521       318.9808 244.4271 4.933099 258.1422 5.107440 -13.71512      7.100803 
1 1 1 14  14 2  o 322.5706 4.304706 12518.62       334.1864 11772.84       445.7931 13475.41       504.9349 311.6987 5.911476 333.4424 6.259106 -21.74362      8.609411 
1 1 1 14  14 3  o 205.7780 4.410207 5127.684       219.5636 5127.684       219.5636 0.000000       0.000000 205.7780 4.410207 ?        ?        ?              ?        
1 1 1 14  14 5  o 283.3348 3.886909 9727.036       266.3859 9564.038       371.9868 9898.614       381.6524 280.9017 5.473573 285.7679 5.520166 -4.866272      7.773818 
1 1 1 14  14 6  o 303.7624 4.098099 11188.57       301.1571 11270.21       428.7350 11109.04       423.1215 304.8540 5.812926 302.6708 5.778196 2.183228       8.196198 
1 1 1 14  14 7  o 41.32894 4.653743 215.2118       42.97186 122.1779       58.75516 322.2097       63.01051 31.10126 7.817349 51.55662 5.051569 -20.45536      9.307487 
1 1 1 14  14 8  o 104.1362 2.622228 1313.335       66.02999 1372.468       93.99744 1255.728       92.77557 106.4521 3.649720 101.8202 3.766148 4.631874       5.244457 
1 1 1 14  14 9  o 427.5258 5.497945 22211.02       567.9625 22962.10       828.7260 21545.77       779.9332 434.2915 7.887281 420.7602 7.661618 13.53131       10.99589 
1 1 1 14  14 10 o 108.0527 2.717435 1415.177       71.03062 1434.606       100.2035 1395.554       100.7033 108.8001 3.806721 107.3053 3.879005 1.494873       5.434869 
1 1 1 14  14 11 f 86.26425 2.797158 901.5568       58.33480 856.2031       81.00790 950.4077       84.07318 84.01183 3.985517 88.51669 3.925817 -4.504860      5.594317 
1 1 1 14  14 12 o 125.0158 2.640341 1896.424       79.84550 1926.571       114.2429 1867.635       111.6393 125.9853 3.748065 124.0464 3.719895 1.938843       5.280683 
1 1 1 14  14 13 o 188.1082 3.012432 4307.449       137.0777 4366.350       195.8718 4250.912       191.9033 189.3639 4.275358 186.8525 4.245033 2.511337       6.024864 
1 1 1 14  14 14 o 52.33114 3.710640 333.8268       46.78082 380.0490       69.00626 294.5192       63.63575 55.67917 5.122635 48.98310 5.369732 6.696072       7.421281 
1 1 1 14  14 15 o 96.47721 2.795559 1136.760       65.13435 1234.821       93.65553 1044.900       90.64593 100.5289 3.850706 92.42555 4.053721 8.103317       5.591117 
1 1 1 14  14 16 o 17.14183 5.753667 -66.17043      54.67438 -49.23355      62.08453 -124.6877      115.4008 15.14812 7.037559 19.13554 9.104477 -3.987414      11.50733 
1 1 1 14  14 17 o 65.32439 4.423535 481.7820       55.42509 447.1691       60.98183 646.1630       132.8946 60.15218 4.190316 70.49659 7.791783 -10.34441      8.847070 
1 1 1 14  14 18 o 24.03199 6.359882 72.16738       49.92756 97.46737       54.27195 -67.15051      127.3558 26.65285 7.871978 21.41113 9.991215 5.241724       12.71976 
1 1 1 14  14 19 o 23.36049 6.647577 65.81699       54.96201 88.40466       59.18994 -75.56216      148.0829 24.93048 8.342717 21.79050 10.35182 3.139980       13.29515 
1 1 1 14  16 0  o 166.3804 2.859522 3330.029       114.7217 3061.350       154.9310 3656.160       170.6938 159.0004 4.027520 173.7604 4.060362 -14.75995      5.719043 
1 1 1 14  16 1  o 182.2830 2.963845 4016.205       130.5751 3845.950       179.8161 4206.131       189.9200 178.2051 4.170672 186.3609 4.212245 -8.155807      5.927690 
1 1 1 14  16 2  o 85.76549 2.882675 890.8456       59.80476 912.4080       84.77704 869.4858       84.37778 86.79953 4.036998 84.73144 4.116055 2.068092       5.765351 
1 1 1 14  16 3  o 385.6585 5.013234 18056.51       467.7492 17966.35       658.7538 18148.19       664.2754 384.6899 7.077991 386.6271 7.101556 -1.937195      10.02647 
1 1 1 14  16 4  o 213.3517 3.221851 5514.897       166.3001 5546.913       236.2374 5483.446       234.1442 213.9650 4.563559 212.7384 4.549200 1.226517       6.443702 
1 1 1 14  16 5  o 129.2821 2.767404 2021.806       86.49474 2091.460       125.3172 1958.435       119.5319 131.4048 3.941823 127.1595 3.885372 4.245270       5.534807 
1 1 1 14  16 6  o 149.7358 2.801003 2716.058       101.4684 2729.730       143.2446 2702.288       143.7527 150.1149 3.944139 149.3567 3.978222 0.7582397      5.602006 
1 1 1 14  16 7  o 134.1119 2.724423 2178.641       88.37917 2242.997       125.7367 2115.797       124.2506 136.0709 3.819395 132.1530 3.886147 3.917938       5.448845 
1 1 1 14  16 8  o 106.2283 2.765707 1366.420       71.05305 1324.560       98.91155 1411.051       102.1343 104.5486 3.910448 107.9079 3.912153 -3.359344      5.531415 
1 1 1 14  16 9  o 141.0399 2.773185 2407.376       94.48667 2601.557       136.5510 2228.994       130.8781 146.4924 3.852808 135.5874 3.989748 10.90503       5.546371 
1 1 1 14  16 10 o 101.5391 2.763548 1249.923       67.85522 1281.466       97.88327 1220.740       94.14915 102.7692 3.936798 100.3090 3.879485 2.460175       5.527095 
1 1 1 14  16 11 o 23.58848 5.946619 59.09777       42.87787 64.86700       59.68809 52.94590       61.63575 24.13286 8.370859 23.04410 8.448541 1.088755       11.89324 
1 1 1 14  16 12 o 52.95995 3.852818 343.4521       49.31310 331.7690       70.54356 354.6172       68.96185 52.06161 5.600638 53.85829 5.292417 -1.796680      7.705636 
1 1 1 14  16 13 o 27.41400 6.044424 89.11588       45.21902 128.7072       68.80171 59.00904       59.99730 31.50647 8.726540 23.32153 8.365868 8.184938       12.08885 
1 1 1 14  16 14 o 151.8615 2.837296 2804.583       103.9484 3093.124       153.4290 2559.769       141.3262 159.0520 3.987182 144.6711 4.037743 14.38087       5.674591 
1 1 1 14  16 15 o 67.90708 3.543635 569.4020       57.98384 642.2336       83.81937 502.5629       80.29707 72.12534 4.803461 63.68883 5.211156 8.436504       7.087269 
1 1 1 14  16 16 o 86.69571 3.109898 929.6840       65.20442 944.8719       93.79168 915.4772       90.71140 87.36315 4.437452 86.02826 4.358313 1.334892       6.219797 
1 1 1 14  16 17 o 88.47352 3.151823 977.1228       67.37433 913.1042       94.56958 1043.107       96.01013 85.45806 4.573999 91.48898 4.337565 -6.030914      6.303645 
1 1 1 14  16 18 o 45.54698 7.838061 286.5539       59.70595 273.3643       63.20268 395.9548       182.0249 45.86781 5.695412 45.22615 14.60490 0.6416664      15.67612 
1 1 1 14  18 0  o 180.9555 2.996964 3958.691       131.0647 3783.460       180.3693 4154.724       190.7751 176.7228 4.218596 185.1881 4.258006 -8.465332      5.993927 
1 1 1 14  18 1  o 238.4862 3.469721 6878.747       199.9137 7173.566       292.4046 6619.987       273.9393 243.2677 4.968181 233.7047 4.844899 9.563065       6.939443 
1 1 1 14  18 2  o 25.03309 6.183209 67.05304       46.63696 48.45002       68.01917 83.55722       64.06732 23.39911 8.818826 26.66706 8.669292 -3.267950      12.36642 
1 1 1 14  18 4  o 321.8367 4.328307 12573.27       336.9913 12701.77       480.4438 12448.82       472.8034 323.4517 6.139469 320.2217 6.102776 3.229980       8.656613 
1 1 1 14  18 5  o 203.3831 3.185425 5014.347       156.7411 5031.973       221.9746 4996.819       221.3575 203.7397 4.503243 203.0265 4.506498 0.7132111      6.370850 
1 1 1 14  18 6  o 158.8799 2.902783 3059.743       111.5694 3065.357       156.7938 3053.986       158.7912 159.0298 4.075191 158.7299 4.134902 0.2998352      5.805566 
1 1 1 14  18 7  o 58.21494 5.353032 411.6219       75.39395 0.000000       0.000000 411.6219       75.39395 ?        ?        58.21494 5.353032 ?              ?        
1 1 1 14  18 8  o 184.7819 3.026643 4144.406       135.3022 4185.174       191.2547 4103.560       191.4377 185.6950 4.257059 183.8688 4.303453 1.826187       6.053285 
1 1 1 14  18 9  o 119.5602 2.747410 1733.425       79.41348 1690.111       109.7816 1780.969       115.0164 117.9994 3.845454 121.1210 3.924986 -3.121582      5.494819 
1 1 1 14  18 10 o 89.47333 2.959465 974.0106       64.03107 1010.435       90.61976 937.6921       90.48762 91.15319 4.109119 87.79346 4.260148 3.359734       5.918929 
1 1 1 14  18 11 o 91.28923 3.013526 1017.859       66.42149 975.7977       95.71781 1056.925       92.24668 89.43955 4.423447 93.13892 4.093712 -3.699364      6.027052 
1 1 1 14  18 12 o 120.0293 2.800078 1756.352       81.25905 1847.574       116.8417 1670.901       113.0856 123.0540 3.924640 117.0046 3.994865 6.049408       5.600156 
1 1 1 14  18 13 o 140.2716 2.864052 2394.224       96.91821 2631.094       143.3337 2194.703       131.5493 146.6309 4.040366 133.9123 4.060373 12.71858       5.728105 
1 1 1 14  18 14 o 21.52468 6.128350 33.70806       48.64966 29.96071       74.74213 36.46281       64.08325 21.82242 8.921375 21.22695 8.404510 0.5954666      12.25670 
1 1 1 14  18 15 o 95.37073 3.088085 1126.127       71.15598 1114.078       103.0241 1137.117       98.39494 94.82115 4.490877 95.92031 4.239942 -1.099159      6.176170 
1 1 1 14  18 16 o 44.55569 5.436723 264.9388       56.55899 328.3672       82.82315 209.5125       77.42267 50.26768 6.810212 38.84370 8.476606 11.42397       10.87345 
1 1 1 14  18 17 o 28.03487 6.635201 110.6016       55.33054 159.5610       79.80457 65.28146       76.78136 32.53499 9.527763 23.53475 9.237169 9.000235       13.27040 
1 1 1 14  18 18 o 19.81748 6.143025 14.40929       58.69429 -36.46785      87.38758 56.22484       79.22410 17.62993 8.243232 22.00504 9.110222 -4.375107      12.28605 
1 1 1 14  20 0  o 236.2793 3.480141 6749.933       198.5744 7114.489       291.8793 6435.804       270.9413 242.1927 4.981268 230.3658 4.861327 11.82695       6.960283 
1 1 1 14  20 1  o 204.2977 3.234846 5049.982       159.7059 5286.426       232.7521 4839.615       219.5429 208.8038 4.607367 199.7915 4.541924 9.012329       6.469691 
1 1 1 14  20 2  o 118.0992 2.874121 1688.573       82.03998 1651.058       113.0702 1730.277       119.2179 116.7189 4.004096 119.4795 4.124259 -2.760574      5.748243 
1 1 1 14  20 3  o 406.9534 5.292546 20173.70       521.0784 20267.67       739.7546 20081.17       734.1100 407.8896 7.496228 406.0172 7.473335 1.872375       10.58509 
1 1 1 14  20 4  o 293.9434 4.047277 10459.20       287.0824 11057.18       425.0421 9957.564       389.3001 301.6151 5.824739 286.2717 5.620873 15.34344       8.094554 
1 1 1 14  20 5  o 178.1415 3.016988 3850.561       130.0259 3875.859       183.6937 3825.157       184.0758 178.7303 4.248091 177.5527 4.285160 1.177536       6.033977 
1 1 1 14  20 6  o 106.3215 3.029133 1365.744       77.41151 1601.374       113.5422 1161.082       105.8182 114.8663 4.085662 97.77667 4.473248 17.08961       6.058266 
1 1 1 14  20 7  o 101.3122 3.803943 1177.848       83.80222 1094.190       97.36193 1417.014       164.6203 94.90369 4.240370 107.7207 6.316581 -12.81697      7.607886 
1 1 1 14  20 8  o 126.7654 2.820459 1953.287       86.49262 1914.909       121.8300 1992.288       122.8141 125.5064 4.012232 128.0244 3.965091 -2.518028      5.640918 
1 1 1 14  20 9  o 110.2251 2.951222 1475.303       78.56499 1597.183       114.6039 1367.238       107.9131 114.5133 4.136578 105.9369 4.210412 8.576378       5.902444 
1 1 1 14  20 10 f 29.17784 6.301196 107.1168       50.64598 64.39919       74.12151 144.5262       69.36347 25.03164 9.250428 33.32404 8.558614 -8.292406      12.60239 
1 1 1 14  20 11 o 109.6704 3.989199 1469.646       105.8468 1469.646       105.8468 0.000000       0.000000 109.6704 3.989199 ?        ?        ?              ?        
1 1 1 14  20 12 o 25.35950 6.379881 68.27649       52.07849 111.4668       72.52491 22.29785       74.82936 29.34208 9.189515 21.37691 8.852363 7.965168       12.75976 
1 1 1 14  20 13 o 28.17687 6.516068 102.2210       51.51805 119.5458       73.22576 85.24028       72.49480 29.96793 9.209073 26.38582 9.221145 3.582111       13.03214 
1 1 1 14  20 14 o 40.16892 6.227391 221.5427       58.74413 217.0211       86.10845 225.4792       80.34424 39.59327 9.169588 40.74458 8.428537 -1.151310      12.45478 
1 1 1 14  20 15 o 27.52618 6.868444 98.51322       57.67537 133.1447       85.38702 69.45535       78.21470 30.52804 10.01242 24.52432 9.404974 6.003719       13.73689 
1 1 1 14  20 16 o 63.30045 4.494910 537.8530       67.50882 600.4575       91.38303 462.6395       100.1638 68.06338 5.549447 58.53753 7.072518 9.525848       8.989820 
1 1 1 14  20 17 o 23.45041 6.846320 70.66110       63.81115 91.93085       87.59686 46.61245       93.14352 24.83782 9.828711 22.06300 9.533355 2.774828       13.69264 
1 1 1 14  22 0  o 276.7817 3.885454 9296.731       259.7884 9711.597       380.4476 8934.283       355.6021 282.5336 5.565733 271.0299 5.423065 11.50369       7.770908 
1 1 1 14  22 1  o 98.16350 3.060434 1169.971       72.61555 1104.802       102.0906 1236.704       103.3080 95.38860 4.423714 100.9384 4.230340 -5.549797      6.120868 
1 1 1 14  22 2  o 76.65298 3.416914 713.0748       63.31042 755.6219       91.43224 673.8854       87.75014 78.84917 4.792917 74.45681 4.871257 4.392357       6.833828 
1 1 1 14  22 3  o 134.3991 2.870644 2189.286       93.23883 2337.234       134.8123 2053.625       129.0928 138.7494 4.016021 130.0489 4.102922 8.700577       5.741288 
1 1 1 14  22 4  o 65.45871 3.665390 522.5845       57.76173 513.8763       85.66355 529.8448       78.21808 64.93453 5.452781 65.98289 4.899746 -1.048355      7.330780 
1 1 1 14  22 5  o 168.9269 2.970894 3468.560       121.3913 3543.739       173.9537 3397.198       169.4803 170.7081 4.211890 167.1456 4.191040 3.562531       5.941787 
1 1 1 14  22 6  o 122.1024 2.846660 1804.003       83.86116 1970.330       124.0797 1664.135       113.7833 127.2542 4.030196 116.9506 4.021369 10.30362       5.693319 
1 1 1 14  22 7  o 61.08223 4.105885 459.7072       60.16952 443.2688       90.18916 472.8921       80.77257 60.03085 6.209800 62.13362 5.373224 -2.102776      8.211769 
1 1 1 14  22 8  o 144.3759 2.956296 2538.078       103.1231 2680.172       150.6385 2412.755       141.4692 148.1621 4.202391 140.5896 4.159165 7.572464       5.912592 
1 1 1 14  22 9  o 182.2029 3.131958 4043.956       137.6770 4368.209       204.1429 3773.428       186.4651 188.8477 4.468072 175.5582 4.390099 13.28955       6.263916 
1 1 1 14  22 10 f 66.06841 3.959964 540.4704       63.27658 559.3528       89.96796 521.9868       89.01289 67.22890 5.531330 64.90791 5.668302 2.320999       7.919928 
1 1 1 14  22 11 o 111.1338 3.099128 1520.769       83.03710 1690.835       118.9790 1359.268       115.9442 117.2743 4.193390 104.9934 4.564412 12.28090       6.198256 
1 1 1 14  22 12 o 24.62781 6.291773 40.22501       56.96239 140.0181       81.72543 -54.05824      79.43726 31.97767 9.710032 17.27795 8.003804 14.69972       12.58355 
1 1 1 14  22 13 o 34.06202 5.586181 145.0399       57.64929 304.6675       82.68921 -5.928435      80.41516 48.47192 7.051090 19.65212 8.666245 28.81980       11.17236 
1 1 1 14  22 14 o 22.69053 6.623244 40.04545       59.10199 17.73557       79.50369 67.60384       88.36202 20.63106 8.860412 24.75000 9.846955 -4.118938      13.24649 
1 1 1 14  22 15 o 28.04344 6.604218 104.0868       63.46191 205.5961       87.03890 -11.12718      92.72844 36.35978 9.710933 19.72709 8.953245 16.63269       13.20844 
1 1 1 14  24 0  o 221.7429 3.377680 5934.271       180.0915 6552.356       273.8927 5463.527       239.0281 231.7703 4.884503 211.7154 4.666530 20.05487       6.755359 
1 1 1 14  24 1  o 129.9501 2.904232 2050.767       91.18816 2200.175       132.2901 1915.512       125.8685 134.4573 4.066684 125.4429 4.147330 9.014412       5.808465 
1 1 1 14  24 2  o 147.4581 2.925624 2625.253       103.9227 2927.089       155.7101 2382.812       139.5517 155.0322 4.151382 139.8841 4.123486 15.14813       5.851248 
1 1 1 14  24 3  o 226.3291 3.421273 6252.854       187.2141 6414.219       270.8599 6105.248       259.0558 229.0998 4.886724 223.5584 4.789609 5.541351       6.842545 
1 1 1 14  24 4  o 52.86645 4.352718 346.4390       55.06353 326.7380       82.81940 362.0471       73.71628 51.43128 6.655834 54.30161 5.611105 -2.870327      8.705437 
1 1 1 14  24 5  o 125.9988 2.888353 1930.957       87.87556 2045.305       129.3156 1832.850       119.7810 129.4404 4.129323 122.5571 4.039680 6.883270       5.776705 
1 1 1 14  24 6  o 81.28655 3.361796 806.7859       65.68726 839.5988       99.47273 781.4130       87.47174 82.69459 4.971926 79.87852 4.526218 2.816071       6.723593 
1 1 1 14  24 7  o 141.9293 3.032909 2415.817       103.0434 2894.056       159.7744 2075.243       134.8311 153.6998 4.296666 130.1587 4.281684 23.54108       6.065818 
1 1 1 14  24 8  o 119.9997 3.072004 1757.783       88.89512 1962.184       131.2132 1584.372       120.8577 126.4320 4.289614 113.5673 4.398641 12.86465       6.144008 
1 1 1 14  24 9  o 27.69224 6.076482 63.20795       56.75064 196.6046       83.67215 -50.43679      77.22948 38.11660 9.182202 17.26787 7.961262 20.84873       12.15296 
1 1 1 14  24 10 o 61.98092 4.467418 486.3265       66.87288 477.9417       96.93250 493.9417       92.37695 61.37949 6.527453 62.58235 6.101119 -1.202862      8.934836 
1 1 1 14  24 11 f 19.12986 5.933138 -51.87415      58.70766 -149.2514      81.05136 55.60204       85.15059 14.03604 6.895321 24.22369 9.657281 -10.18765      11.86628 
1 1 1 14  24 12 o 43.76207 6.255332 273.8475       64.96667 371.1918       91.55495 175.1225       92.20194 53.10674 7.125737 34.41739 10.28302 18.68935       12.51066 
1 1 1 14  24 13 o 28.21672 7.094317 115.7832       62.16620 144.3429       86.05592 84.61314       89.90276 30.77796 10.04949 25.65548 10.01625 5.122486       14.18863 
1 1 1 14  24 14 o 23.05768 6.883910 58.05096       65.81715 64.86539       88.05990 49.42625       99.06863 23.25953 9.615186 22.85583 9.853988 0.4036980      13.76782 
1 1 1 14  26 0  o 88.63329 3.280653 963.6631       70.25513 946.6867       101.4758 979.2913       97.36324 87.84875 4.774466 89.41783 4.500581 -1.569077      6.561307 
1 1 1 14  26 1  f 37.71977 6.262696 183.8079       57.08474 252.7550       85.03733 127.2528       77.01723 44.12835 8.268909 31.31118 9.408008 12.81717       12.52539 
1 1 1 14  26 2  o 34.27166 6.500794 158.1500       56.02723 117.4916       84.75025 189.7135       74.67213 30.48741 9.973851 38.05590 8.340478 -7.568499      13.00159 
1 1 1 14  26 3  o 40.07529 6.193895 209.6571       58.19529 238.3224       87.30965 186.7407       78.06522 42.55797 8.771330 37.59262 8.747636 4.965351       12.38779 
1 1 1 14  26 4  o 134.2583 2.972647 2190.487       96.10941 2425.352       144.5891 2004.571       128.6426 140.6296 4.249684 127.8870 4.157728 12.74255       5.945293 
1 1 1 14  26 5  o 67.51453 3.987844 559.7809       64.47263 610.1776       100.0227 523.9581       84.32902 69.99934 5.906118 65.02971 5.359977 4.969635       7.975687 
1 1 1 14  26 6  o 84.30667 3.457594 875.5391       70.19408 917.0839       105.3738 842.3969       94.11625 86.02950 5.062707 82.58385 4.710502 3.445648       6.915189 
1 1 1 14  26 7  o 68.83699 4.067774 593.6253       67.64577 596.6564       98.44772 590.9142       93.10670 68.94057 5.902398 68.73341 5.599004 0.2071533      8.135549 
1 1 1 14  26 8  o 92.52773 3.580362 1069.609       80.08735 1030.223       113.8234 1108.227       112.7060 90.77084 5.183022 94.28463 4.940876 -3.513794      7.160724 
1 1 1 14  26 9  o 66.01385 4.324866 558.9792       68.59696 494.5148       98.01221 620.8748       96.03938 62.02157 6.531834 70.00614 5.670363 -7.984573      8.649733 
1 1 1 14  26 10 o 24.50537 6.832153 60.15350       61.47241 100.4859       87.28462 20.46067       86.58978 27.45536 10.05570 21.55539 9.251819 5.899971       13.66431 
1 1 1 14  26 11 f 17.31059 5.802751 -74.85770      65.14505 -84.49702      91.43539 -64.92023      92.83865 16.88457 8.052976 17.73661 8.356870 -0.8520336     11.60550 
1 1 1 14  26 12 o 40.32365 8.941153 311.8937       100.8596 241.4039       148.2493 372.6353       137.6173 35.02007 13.05437 45.62724 12.22130 -10.60717      17.88231 
1 1 1 14  28 0  o 54.78821 4.917737 377.9461       64.91914 427.2905       96.30915 336.8548       87.88685 58.07802 6.854147 51.49839 7.053877 6.579624       9.835473 
1 1 1 14  28 1  o 129.0957 3.089078 2032.853       95.85765 2381.126       143.7615 1754.061       128.6244 138.9933 4.275100 119.1982 4.460173 19.79518       6.178157 
1 1 1 14  28 2  o 58.00829 4.808628 433.9052       66.22727 378.8529       99.19390 478.1826       88.95882 54.31634 7.548353 61.70025 5.959362 -7.383911      9.617256 
1 1 1 14  28 3  o 60.27383 4.516219 453.4131       65.30654 513.2345       100.6291 409.8841       85.83893 63.59311 6.540505 56.95456 6.229504 6.638546       9.032437 
1 1 1 14  28 4  o 51.49362 5.222717 343.6208       64.37687 332.7794       97.26131 352.0739       85.88212 50.50513 7.959802 52.48210 6.763776 -1.976967      10.44543 
1 1 1 14  28 5  o 25.35382 6.948550 66.28588       61.12468 44.27820       83.09912 92.23082       90.22681 23.25223 9.445060 27.45541 10.19413 -4.203175      13.89710 
1 1 1 14  28 6  o 71.93917 6.532349 768.9866       97.90391 454.0155       150.0031 1002.737       129.2232 55.24980 11.59171 88.62855 6.026491 -33.37875      13.06470 
1 1 1 14  28 7  o 58.22240 6.069521 457.7216       83.29486 486.4962       134.8635 439.9763       105.9092 58.97991 9.451225 57.46489 7.617788 1.515018       12.13904 
1 1 1 14  28 8  o 37.97287 8.685386 243.1859       93.37182 192.6234       144.3105 279.5955       122.4592 34.27483 12.85943 41.67091 11.67814 -7.396080      17.37077 
1 1 1 15  1  0  o 264.8393 3.592404 8489.996       230.1681 8555.854       327.6482 8425.833       323.4070 265.8527 5.094063 263.8259 5.066753 2.026764       7.184808 
1 1 1 15  1  1  o 527.6364 6.623481 33682.29       844.0238 34901.54       1238.571 32625.24       1153.250 536.5096 9.542039 518.7630 9.188663 17.74664       13.24696 
1 1 1 15  1  2  o 189.9492 2.821375 4364.879       129.6345 4301.666       181.2151 4431.134       185.5226 188.5414 3.972697 191.3571 4.007283 -2.815674      5.642751 
1 1 1 15  1  3  o 595.8266 7.417087 43029.27       1069.183 43127.08       1515.618 42932.38       1508.515 596.4992 10.50213 595.1540 10.47654 1.345215       14.83417 
1 1 1 15  1  4  o 772.6715 9.536327 72361.40       1781.736 73781.14       2571.013 71049.50       2471.447 779.9380 13.62517 765.4050 13.34620 14.53302       19.07265 
1 1 1 15  1  5  o 482.4234 6.076948 28175.48       709.1802 28463.05       1013.106 27899.18       993.0596 484.8343 8.636922 480.0125 8.551068 4.821808       12.15390 
1 1 1 15  1  6  o 330.1046 4.323136 13188.72       345.2575 13136.17       486.3139 13242.13       490.2454 329.4420 6.101483 330.7672 6.126166 -1.325195      8.646272 
1 1 1 15  1  7  o 409.9614 5.250581 20246.99       518.8140 21518.25       775.6176 19217.61       697.9418 421.5371 7.605181 398.3857 7.241244 23.15146       10.50116 
1 1 1 15  1  8  o 102.2815 2.544420 1245.150       53.86518 1226.288       61.60723 1306.365       110.9872 100.6742 2.529362 103.8887 4.415725 -3.214531      5.088841 
1 1 1 15  1  9  o 81.46283 2.626970 788.7476       48.72287 761.8624       59.09719 845.8061       86.09345 79.34273 3.078629 83.58293 4.257456 -4.240204      5.253941 
1 1 1 15  1  10 o 396.9023 5.910914 19066.07       488.6272 18998.64       562.2161 19274.24       987.8835 395.8926 5.869803 397.9121 10.26163 -2.019440      11.82183 
1 1 1 15  1  11 o 212.5481 3.580988 5458.896       158.4564 5443.199       182.2862 5507.436       320.5460 212.0262 3.553547 213.0700 6.218216 -1.043793      7.161976 
1 1 1 15  1  12 o 167.7112 3.145006 3453.032       110.6318 3499.434       128.2711 3318.263       218.6037 170.0125 3.118500 165.4099 5.462529 4.602615       6.290013 
1 1 1 15  1  13 o 426.7503 6.713926 22298.27       655.6079 22428.18       807.1542 22046.40       1123.935 429.2374 7.772427 424.2632 10.94973 4.974182       13.42785 
1 1 1 15  1  14 o 124.6528 3.453827 1882.883       104.1610 1882.883       104.1610 0.000000       0.000000 124.6528 3.453827 ?        ?        ?              ?        
1 1 1 15  1  15 o 29.69696 7.042531 112.1378       49.83211 0.000000       0.000000 112.1378       49.83211 ?        ?        29.69696 7.042531 ?              ?        
1 1 1 15  1  16 o 109.8922 2.454259 1462.544       65.12531 1344.665       89.56245 1594.805       94.86860 105.2015 3.518859 114.5829 3.422160 -9.381439      4.908518 
1 1 1 15  1  17 f 44.07553 3.761028 239.0173       39.97459 232.2155       58.44332 244.9971       54.79783 43.45474 5.558983 44.69632 5.067448 -1.241577      7.522056 
1 1 1 15  1  18 o 51.87021 3.506012 331.3048       43.97105 335.2848       63.45606 327.6285       60.98637 52.15635 5.028791 51.58406 4.886691 0.5722923      7.012025 
1 1 1 15  1  19 o 47.23989 3.879972 278.6841       44.20479 276.8371       64.99061 280.2743       60.30235 47.03331 5.711401 47.44648 5.253249 -0.4131622     7.759944 
1 1 1 15  1  20 o 27.46630 5.868333 98.12180       45.20889 151.1968       65.28038 49.20723       62.66956 33.12195 8.191942 21.81065 8.404845 11.31130       11.73667 
1 1 1 15  3  0  o 477.4277 6.022007 27585.01       694.8229 26855.53       956.0264 28401.74       1011.581 470.7591 8.393998 484.0964 8.637074 -13.33731      12.04401 
1 1 1 15  3  1  o 271.4414 3.668988 8911.944       240.8273 8722.318       334.1783 9116.834       347.3668 268.4409 5.145496 274.4419 5.231613 -6.000946      7.337977 
1 1 1 15  3  2  o 262.0687 4.368397 8366.473       263.0828 8484.192       325.9228 8146.342       445.6863 264.7629 5.088096 259.3745 7.102313 5.388489       8.736794 
1 1 1 15  3  3  o 530.1649 7.635240 34362.47       859.4103 34691.84       1001.776 33444.38       1672.531 535.2623 7.735734 525.0674 13.16609 10.19482       15.27048 
1 1 1 15  3  4  o 576.8705 8.388077 39631.45       987.6235 39043.89       1122.705 41641.88       2076.748 567.8661 8.171794 585.8748 14.65132 -18.00861      16.77615 
1 1 1 15  3  5  o 492.1069 7.101783 29715.28       746.8353 30160.87       874.9133 28518.74       1433.709 499.1528 7.244846 485.0609 12.21694 14.09189       14.20357 
1 1 1 15  3  6  o 470.9218 6.842615 27038.99       681.7258 27225.72       792.5854 26508.03       1336.517 474.2343 6.907976 467.6094 11.81378 6.624878       13.68523 
1 1 1 15  3  7  o 115.2322 2.692631 1622.521       64.08324 1637.324       73.66122 1576.443       129.9599 116.3326 2.617190 114.1318 4.706524 2.200775       5.385262 
1 1 1 15  3  8  o 163.6284 3.044008 3284.268       104.7496 3329.999       121.6212 3152.885       206.1450 165.8896 3.030316 161.3672 5.280259 4.522385       6.088017 
1 1 1 15  3  9  o 247.1109 3.976864 7378.960       204.4622 7360.531       235.1577 7436.050       413.9007 246.5774 3.941881 247.6444 6.908209 -1.066925      7.953727 
1 1 1 15  3  10 o 336.3259 5.120411 13604.18       355.9160 13491.05       407.5264 13967.88       730.7122 333.6882 5.047921 338.9637 8.910271 -5.275482      10.24082 
1 1 1 15  3  11 o 220.5771 3.690715 5804.007       166.8677 5723.356       190.0874 6074.956       348.4102 217.4077 3.613901 223.7464 6.436243 -6.338760      7.381429 
1 1 1 15  3  12 o 105.8256 2.881927 1263.432       66.81322 1151.541       77.76705 1578.822       130.5631 97.52044 3.296080 114.1308 4.728410 -16.61037      5.763853 
1 1 1 15  3  13 o 101.9167 3.018795 1313.340       61.09289 1357.610       69.55829 1163.950       127.7789 105.8957 2.714989 97.93768 5.392710 7.958038       6.037590 
1 1 1 15  3  14 o 58.93946 4.195572 415.7375       58.92543 386.1987       75.93803 460.4402       93.41779 56.36909 5.568214 61.50982 6.277443 -5.140728      8.391145 
1 1 1 15  3  15 o 32.85754 5.475999 141.4072       35.13747 146.6615       38.64431 116.3355       84.41566 34.73423 4.598599 30.98085 9.939775 3.753386       10.95200 
1 1 1 15  3  16 o 105.6717 3.010687 1347.705       62.83246 1338.809       70.65891 1381.321       137.3542 105.0500 2.780151 106.2934 5.341134 -1.243301      6.021375 
1 1 1 15  3  17 o 86.69708 2.595410 916.7418       54.39891 941.3642       76.20009 891.1505       77.68475 87.90035 3.583130 85.49382 3.755768 2.406532       5.190820 
1 1 1 15  3  18 o 22.44827 5.601076 56.23717       38.50619 38.51435       54.85276 73.45631       54.06768 20.53390 7.875777 24.36263 7.966201 -3.828730      11.20215 
1 1 1 15  3  19 o 66.97162 3.185836 555.4421       51.54082 530.4759       73.71582 579.3196       72.09081 65.44779 4.655468 68.49545 4.350267 -3.047653      6.371673 
1 1 1 15  3  20 o 19.91798 5.733469 23.82855       44.13361 54.69859       65.89954 -1.277325      59.42942 22.53046 8.634638 17.30551 7.545444 5.224955       11.46694 
1 1 1 15  5  0  o 330.2146 4.332238 13143.79       345.0126 13890.51       513.2605 12528.26       465.9992 338.7281 6.263026 321.7010 5.987291 17.02713       8.664476 
1 1 1 15  5  1  o 323.7982 4.258765 12691.14       333.6235 12651.47       470.6197 12731.22       473.0193 323.2898 6.016942 324.3067 6.028659 -1.016907      8.517530 
1 1 1 15  5  2  o 447.5798 5.673506 24240.10       614.0100 23759.09       851.1328 24762.07       886.6376 442.9579 7.942049 452.2016 8.104229 -9.243744      11.34701 
1 1 1 15  5  3  o 396.9475 5.087842 19059.89       488.3423 18673.26       677.0140 19479.24       705.0815 392.7569 7.124781 401.1381 7.265127 -8.381195      10.17568 
1 1 1 15  5  4  o 222.2246 3.168564 5973.400       170.3180 5881.581       237.8255 6070.070       244.0264 220.4724 4.458633 223.9768 4.503306 -3.504333      6.337127 
1 1 1 15  5  5  o 477.2384 6.019662 27576.79       694.9671 27341.71       974.3618 27820.22       991.5269 475.1707 8.475557 479.3062 8.550454 -4.135559      12.03932 
1 1 1 15  5  6  o 349.9520 4.554859 14821.29       385.5580 14632.87       538.4585 15019.54       552.3286 347.6718 6.401480 352.2322 6.481360 -4.560364      9.109718 
1 1 1 15  5  7  o 453.4513 6.696586 24582.32       622.9067 24279.88       710.1070 25591.91       1297.390 447.7597 6.555057 459.1428 11.67939 -11.38306      13.39317 
1 1 1 15  5  8  o 365.1983 5.489022 16077.68       416.2106 15988.02       477.8909 16359.31       846.9845 363.3294 5.436581 367.0671 9.537349 -3.737701      10.97804 
1 1 1 15  5  9  o 220.4481 3.686764 5799.659       166.7272 5723.748       190.0254 6053.540       347.5146 217.4454 3.612095 223.4507 6.428194 -6.005341      7.373528 
1 1 1 15  5  10 o 69.46034 3.236560 596.8599       40.73039 603.3644       44.79944 565.8537       97.81060 70.60782 2.622512 68.31287 5.918083 2.294945       6.473120 
1 1 1 15  5  11 f 38.44374 4.575308 184.9093       30.97592 185.9960       34.02853 179.6550       74.82729 39.19157 3.588792 37.69592 8.417503 1.495644       9.150617 
1 1 1 15  5  12 o 204.5052 4.313265 5077.486       213.3848 5158.834       301.4927 4995.836       302.0513 206.1531 6.044837 202.8574 6.154427 3.295731       8.626531 
1 1 1 15  5  13 o 221.7630 3.777658 5757.486       167.6672 5600.711       188.5556 6349.792       366.4999 215.0058 3.624824 228.5202 6.628984 -13.51437      7.555315 
1 1 1 15  5  14 o 276.6235 4.417549 9255.308       252.3491 9196.710       289.0348 9443.188       517.5480 275.2770 4.339881 277.9701 7.695739 -2.693024      8.835098 
1 1 1 15  5  15 o 20.09887 5.805811 -3.808117      32.77041 -16.46731      35.22885 77.51339       89.28905 12.50235 5.610128 27.69539 10.16643 -15.19304      11.61162 
1 1 1 15  5  16 o 85.76840 3.249147 896.7184       53.07828 896.1215       59.05819 899.2267       121.0532 85.92495 2.840917 85.61186 5.844401 0.3130875      6.498294 
1 1 1 15  5  17 o 33.50460 6.033927 122.1756       38.33625 110.2774       41.62940 188.5782       98.34496 29.35606 6.062151 37.65315 10.43472 -8.297089      12.06785 
1 1 1 15  5  18 o 69.52109 3.903848 597.5397       51.64497 596.3551       57.48363 602.4985       117.6105 69.87717 3.400217 69.16500 7.028417 0.7121658      7.807696 
1 1 1 15  5  19 o 72.73502 4.297097 667.1166       64.97155 666.7286       74.92516 668.2927       130.4539 73.47732 4.214752 71.99271 7.489729 1.484604       8.594194 
1 1 1 15  5  20 o 30.09107 6.219340 128.5841       49.11166 99.16251       72.64703 153.3477       66.64874 27.05407 9.241629 33.12807 8.325448 -6.073997      12.43868 
1 1 1 15  7  0  o 553.0973 6.922685 36920.07       923.6096 35381.00       1249.601 38773.30       1371.216 540.4576 9.556687 565.7369 10.01818 -25.27930      13.84537 
1 1 1 15  7  1  o 683.8965 8.490686 56644.68       1403.989 57927.64       2029.331 55466.79       1944.469 691.3040 12.13337 676.4890 11.88059 14.81506       16.98137 
1 1 1 15  7  2  o 601.6443 7.506968 43839.52       1092.457 43300.35       1525.181 44407.61       1565.543 597.8525 10.54448 605.4362 10.68795 -7.583679      15.01394 
1 1 1 15  7  3  o 215.0649 4.401202 5596.591       229.0040 5596.591       229.0040 0.000000       0.000000 215.0649 4.401202 ?        ?        ?              ?        
1 1 1 15  7  4  o 623.3348 7.759977 47085.38       1170.264 47099.32       1654.252 47071.42       1655.755 623.4278 10.96764 623.2418 10.98088 0.1859741      15.51995 
1 1 1 15  7  5  o 256.9987 3.547044 7947.264       219.6977 7495.702       295.3216 8506.876       328.7605 248.8734 4.904721 265.1240 5.125406 -16.25055      7.094088 
1 1 1 15  7  6  o 200.3241 2.987660 4845.444       144.5954 4656.179       198.1565 5060.995       211.4696 196.1505 4.175578 204.4977 4.274224 -8.347153      5.975319 
1 1 1 15  7  7  o 32.15675 4.053761 127.0070       30.43432 125.0105       39.84353 129.8037       47.15584 32.13139 5.125380 32.18212 6.281909 -0.5072784E-01 8.107521 
1 1 1 15  7  8  o 422.2429 5.407358 21623.89       552.2524 21887.97       791.7831 21373.72       770.6514 424.7433 7.705084 419.7426 7.588792 5.000702       10.81472 
1 1 1 15  7  9  o 127.3744 2.407746 1960.974       74.13662 1887.918       102.3390 2041.653       107.5446 124.8823 3.387178 129.8665 3.422863 -4.984177      4.815492 
1 1 1 15  7  10 o 212.1817 3.626668 5267.046       154.7840 5123.093       174.3945 5801.309       335.9694 205.6990 3.504275 218.6644 6.350666 -12.96542      7.253337 
1 1 1 15  7  11 o 203.6713 3.554125 4829.715       144.8585 4683.253       162.7765 5387.270       317.5942 196.6616 3.421133 210.6810 6.230817 -14.01942      7.108251 
1 1 1 15  7  12 o 144.5690 3.067170 2442.029       88.21765 2376.569       98.98259 2694.824       194.5160 140.1039 2.920157 149.0341 5.394702 -8.930130      6.134340 
1 1 1 15  7  13 o 64.58470 4.022212 558.5984       45.12138 584.9233       49.66068 434.0274       108.0282 69.49558 2.953610 59.67382 7.482575 9.821758       8.044423 
1 1 1 15  7  14 o 178.8001 3.385906 3865.905       123.0351 3849.536       139.9875 3921.475       257.9328 178.1974 3.247026 179.4028 5.942580 -1.205429      6.771812 
1 1 1 15  7  15 o 133.2215 3.104059 2080.457       81.06666 2026.948       90.51185 2297.442       182.2682 129.2760 2.893911 137.1670 5.492358 -7.891022      6.208117 
1 1 1 15  7  16 o 165.0175 3.316741 3382.087       111.9661 3430.738       128.4154 3227.841       228.6543 168.0037 3.159338 162.0314 5.832809 5.972275       6.633482 
1 1 1 15  7  17 o 106.4244 3.133716 1276.101       63.91328 1210.803       70.47002 1578.822       151.7327 99.76234 2.919681 113.0865 5.545824 -13.32416      6.267432 
1 1 1 15  7  18 o 34.73848 6.367079 107.0726       42.72861 77.59731       46.25589 278.5247       111.5602 24.50084 7.275055 44.97613 10.45143 -20.47529      12.73416 
1 1 1 15  7  19 o 26.48587 6.912488 56.87436       46.05458 38.05597       50.31563 154.0750       114.3526 19.70127 7.546213 33.27047 11.58381 -13.56920      13.82498 
1 1 1 15  7  20 o 32.61414 7.098128 148.2121       52.88290 144.1361       58.53001 166.3296       123.3994 32.23943 7.623747 32.98885 11.97548 -0.7494202     14.19626 
1 1 1 15  9  0  o 663.5974 8.239559 53257.86       1320.657 51589.03       1806.245 55174.80       1935.866 652.4720 11.44228 674.7227 11.85899 -22.25073      16.47912 
1 1 1 15  9  1  o 450.9800 5.732333 24624.57       625.4281 24532.71       880.3879 24718.17       888.6476 450.1320 8.084104 451.8279 8.129320 -1.695923      11.46467 
1 1 1 15  9  2  o 429.5418 7.753513 22339.16       805.7610 0.000000       0.000000 22339.16       805.7610 ?        ?        429.5418 7.753513 ?              ?        
1 1 1 15  9  3  o 351.5374 5.562935 15221.61       461.1229 16315.60       602.1603 13670.43       717.0295 367.1176 6.779609 335.9571 8.821671 31.16046       11.12587 
1 1 1 15  9  4  o 425.0531 5.440902 21856.72       559.0103 21378.09       771.1431 22386.80       811.5213 420.1606 7.586077 429.9456 7.801608 -9.784943      10.88180 
1 1 1 15  9  5  o 139.2782 2.544452 2344.568       85.68768 2252.976       118.8425 2443.740       123.6626 136.4485 3.599983 142.1079 3.596813 -5.659363      5.088903 
1 1 1 15  9  6  o 268.2601 3.682455 8707.045       238.8679 8921.198       344.8451 8509.519       331.1890 271.4261 5.251339 265.0941 5.163849 6.332062       7.364910 
1 1 1 15  9  7  o 440.2286 5.611336 23515.36       597.6315 23394.47       841.1813 23638.58       849.2333 439.0891 7.918349 441.3681 7.952869 -2.279022      11.22267 
1 1 1 15  9  8  o 182.0461 2.844797 4011.460       125.2706 3940.512       175.0511 4085.932       179.3458 180.3973 4.010812 183.6948 4.035450 -3.297424      5.689594 
1 1 1 15  9  9  o 221.7097 3.210373 5954.104       172.1901 6033.636       245.3647 5876.927       241.7038 223.1680 4.544413 220.2515 4.535889 2.916565       6.420746 
1 1 1 15  9  10 o 171.8352 3.911451 3576.387       162.6120 3576.387       162.6120 0.000000       0.000000 171.8352 3.911451 ?        ?        ?              ?        
1 1 1 15  9  11 o 174.7300 2.808644 3697.136       118.6926 3635.466       165.3002 3762.775       170.5355 173.2284 3.944137 176.2316 3.999712 -3.003250      5.617287 
1 1 1 15  9  12 o 73.57925 3.514781 594.1847       47.81493 563.2862       52.13562 757.7632       119.9579 68.19772 3.159820 78.96079 6.279354 -10.76307      7.029562 
1 1 1 15  9  13 o 123.3779 3.238596 1845.365       76.72651 1843.636       85.55882 1852.469       173.3937 123.3656 2.866608 123.3902 5.808319 -0.2455902E-01 6.477191 
1 1 1 15  9  14 o 35.95002 5.679084 148.7463       37.29201 142.9035       40.47631 181.5586       95.91974 34.26832 4.882091 37.63172 10.25540 -3.363400      11.35817 
1 1 1 15  9  15 o 61.19968 4.217878 407.0159       43.97204 387.7789       47.09564 537.7751       122.7857 56.48668 3.446135 65.91267 7.699749 -9.425995      8.435757 
1 1 1 15  9  16 o 75.53497 3.687750 719.6807       51.67960 730.8877       57.32365 671.0292       119.4367 77.52493 3.056259 73.54500 6.712472 3.979935       7.375500 
1 1 1 15  9  17 o 50.30984 5.533895 339.5440       45.29904 345.8678       49.21274 304.4616       115.9124 53.17172 3.825555 47.44796 10.38562 5.723763       11.06779 
1 1 1 15  9  18 o 59.11525 5.463869 492.2208       51.33741 509.6957       55.92806 398.6913       129.3887 64.46727 3.585817 53.76322 10.32266 10.70405       10.92774 
1 1 1 15  9  19 o 60.47603 5.123988 484.9527       54.49645 489.4930       59.74461 462.4628       132.9696 62.89059 3.926547 58.06147 9.465899 4.829121       10.24798 
1 1 1 15  9  20 f 65.59496 5.701563 744.2037       97.89314 1541.939       137.4530 -76.90661      139.4522 109.7048 5.178766 21.48511 10.15932 88.21968       11.40313 
1 1 1 15  11 0  o 333.6330 4.412252 13397.44       354.6755 14294.69       531.7403 12678.32       476.0426 343.6328 6.395916 323.6333 6.079815 19.99948       8.824505 
1 1 1 15  11 1  o 561.7217 9.952158 38238.80       1352.511 0.000000       0.000000 38238.80       1352.511 ?        ?        561.7217 9.952158 ?              ?        
1 1 1 15  11 2  o 367.2131 4.778382 16327.19       424.5190 16299.07       598.8430 16355.60       601.8898 366.8958 6.746335 367.5304 6.768951 -0.6345520     9.556764 
1 1 1 15  11 3  o 228.5235 3.307096 6311.260       182.6521 6120.316       251.3945 6524.757       265.8273 224.8695 4.620861 232.1774 4.732355 -7.307892      6.614192 
1 1 1 15  11 4  o 585.2237 7.325256 41411.19       1033.778 39622.37       1395.818 43584.54       1538.546 571.3345 10.09801 599.1129 10.61450 -27.77832      14.65051 
1 1 1 15  11 5  o 32.89000 4.571418 136.8476       36.05959 57.43729       49.61174 225.7830       52.50290 22.60104 7.637562 43.17896 5.025842 -20.57791      9.142836 
1 1 1 15  11 6  o 331.1467 4.377429 13221.38       349.3458 12537.94       469.6519 14067.91       522.6929 321.6339 6.035480 340.6595 6.341964 -19.02554      8.754857 
1 1 1 15  11 7  o 73.53810 2.622281 654.6325       46.64506 649.7202       65.21249 659.7787       66.74641 73.25616 3.679462 73.82005 3.737243 -0.5638885     5.244562 
1 1 1 15  11 8  o 241.9793 4.862745 7023.315       282.3163 6493.754       371.3056 7748.959       434.6454 231.3242 6.634497 252.6343 7.111160 -21.31007      9.725490 
1 1 1 15  11 9  o 195.5849 4.236600 4634.278       200.4727 0.000000       0.000000 4634.278       200.4727 ?        ?        195.5849 4.236600 ?              ?        
1 1 1 15  11 10 o 69.47055 2.781552 584.5306       46.72163 588.5012       67.37861 580.8531       64.84303 69.69611 3.995868 69.24498 3.870550 0.4511337      5.563104 
1 1 1 15  11 11 o 216.5705 4.539516 5687.010       237.8544 0.000000       0.000000 5687.010       237.8544 ?        ?        216.5705 4.539516 ?              ?        
1 1 1 15  11 12 o 218.3150 3.221030 5783.159       170.1163 5871.067       242.3395 5697.756       238.8597 219.9506 4.554040 216.6795 4.556410 3.271088       6.442061 
1 1 1 15  11 13 o 60.25820 3.122061 442.7979       45.32114 484.1504       63.60912 400.1608       64.58968 63.14076 4.163967 57.37564 4.653003 5.765121       6.244122 
1 1 1 15  11 14 o 73.94269 3.968049 694.7405       52.01046 707.9686       57.05811 629.7442       126.4777 76.37839 3.087767 71.50699 7.310769 4.871399       7.936098 
1 1 1 15  11 15 o 118.4590 3.314085 1684.933       75.35892 1665.189       83.83853 1767.995       171.9579 117.0708 2.960007 119.8471 5.930513 -2.776314      6.628170 
1 1 1 15  11 16 o 40.59863 6.314197 209.5401       43.76914 208.3897       46.96789 217.1327       120.6666 41.19610 4.712405 40.00117 11.71621 1.194931       12.62839 
1 1 1 15  11 17 o 68.74412 4.179302 534.0635       51.74129 508.2359       56.14169 679.7145       133.3215 64.43168 3.601502 73.05656 7.542907 -8.624878      8.358604 
1 1 1 15  11 18 o 29.32956 7.079812 84.83911       46.48340 67.94852       50.41150 180.7258       120.1119 23.16426 7.697864 35.49487 11.88435 -12.33061      14.15962 
1 1 1 15  11 19 o 34.78767 7.052243 167.4135       51.11355 163.7124       55.57141 187.7454       130.2484 34.86738 6.831975 34.70795 12.33939 0.1594315      14.10449 
1 1 1 15  11 20 f 65.33937 7.095958 677.8144       97.09107 730.6365       118.7547 571.3266       168.6137 73.40426 6.686936 57.27449 12.51780 16.12977       14.19192 
1 1 1 15  13 0  o 273.2956 3.800060 9034.373       251.0782 8808.461       347.1104 9282.287       363.6213 269.7186 5.319299 276.8726 5.428339 -7.154022      7.600119 
1 1 1 15  13 1  o 380.5765 4.950762 17529.02       455.3902 18042.39       662.1168 17068.19       627.3284 385.8485 7.092763 375.3045 6.908900 10.54407       9.901525 
1 1 1 15  13 2  o 703.0789 8.752028 60065.15       1486.642 58325.04       2038.637 62041.49       2172.611 692.2937 12.17159 713.8641 12.57952 -21.57043      17.50406 
1 1 1 15  13 3  f 246.7409 4.943943 7373.035       295.1324 7373.035       295.1324 0.000000       0.000000 246.7409 4.943943 ?        ?        ?              ?        
1 1 1 15  13 4  o 366.1506 4.778098 16255.81       423.2522 16346.62       601.8711 16166.97       595.3206 367.1597 6.775575 365.1414 6.738878 2.018280       9.556196 
1 1 1 15  13 5  o 364.8701 4.770068 16093.63       420.0436 15413.37       570.2728 16900.38       621.0305 356.4898 6.612005 373.2504 6.877179 -16.76056      9.540136 
1 1 1 15  13 6  f 165.8863 3.949956 3332.373       158.5277 0.000000       0.000000 3332.373       158.5277 ?        ?        165.8863 3.949956 ?              ?        
1 1 1 15  13 7  o 76.03647 2.746491 700.7009       50.47366 735.9451       71.31058 665.3182       71.45068 77.95618 3.780952 74.11676 3.984627 3.839417       5.492982 
1 1 1 15  13 8  o 208.2820 3.141210 5256.453       158.2873 5232.250       223.2119 5280.936       224.4977 207.7999 4.439865 208.7641 4.444817 -0.9641266     6.282420 
1 1 1 15  13 9  o 306.9916 4.131828 11430.55       306.7434 11680.01       441.9607 11198.69       426.0766 310.2133 5.888720 303.7699 5.797499 6.443481       8.263657 
1 1 1 15  13 10 o 187.2921 2.982334 4251.908       135.1299 4317.962       191.6813 4186.645       190.5291 188.7400 4.197721 185.8443 4.237501 2.895691       5.964669 
1 1 1 15  13 11 o 246.9368 3.525671 7394.425       210.4772 7671.774       304.9309 7142.038       290.8850 251.3481 5.014453 242.5256 4.957487 8.822495       7.051342 
1 1 1 15  13 12 o 240.1074 3.449353 7009.076       200.3534 6965.488       280.9014 7054.211       285.8483 239.3545 4.850764 240.8603 4.905329 -1.505814      6.898707 
1 1 1 15  13 13 o 119.9868 2.622550 1748.364       76.10963 1805.804       108.8419 1693.403       106.4679 121.9171 3.690026 118.0566 3.727571 3.860451       5.245100 
1 1 1 15  13 14 o 115.8191 2.656197 1633.091       74.42393 1655.874       105.9705 1610.916       104.5467 116.6162 3.755983 115.0220 3.756876 1.594170       5.312394 
1 1 1 15  13 15 o 85.53389 4.426780 1000.572       74.88884 1091.206       86.80772 736.8234       148.0837 94.54900 3.794889 76.51879 7.999021 18.03020       8.853559 
1 1 1 15  13 16 o 71.18623 4.689966 707.7691       56.90667 744.7683       62.61223 532.0643       136.4442 78.10431 3.313461 64.26816 8.775199 13.83615       9.379932 
1 1 1 15  13 17 o 38.04665 6.214036 136.6318       46.70229 96.32784       51.26324 333.3730       113.2608 26.92896 7.559002 49.16434 9.865011 -22.23538      12.42807 
1 1 1 15  13 18 o 47.01939 6.597647 290.4835       53.88223 282.3727       58.46416 336.2285       138.8454 47.35195 5.103281 46.68682 12.16850 0.6651344      13.19529 
1 1 1 15  13 19 o 62.05187 5.531909 483.3048       60.81994 461.1285       66.06584 606.5438       155.7422 60.34295 4.525308 63.76080 10.09602 -3.417858      11.06382 
1 1 1 15  15 1  o 513.0844 6.497818 31971.27       806.0237 32687.27       1166.635 31317.37       1114.903 518.5463 9.299192 507.6224 9.078081 10.92383       12.99564 
1 1 1 15  15 2  o 619.0676 7.760519 46610.85       1160.604 45221.91       1590.076 48194.57       1697.911 609.2910 10.78675 628.8443 11.16013 -19.55334      15.52104 
1 1 1 15  15 3  f 253.2786 3.582320 7759.239       219.2697 7492.496       301.4919 8058.757       319.4774 248.6704 5.011288 257.8869 5.120456 -9.216507      7.164641 
1 1 1 15  15 4  o 78.37473 2.823903 743.8334       53.54231 756.4973       76.06556 731.3968       75.37964 79.03621 3.977953 77.71326 4.009190 1.322952       5.647806 
1 1 1 15  15 5  o 155.0606 2.807221 2910.087       105.2759 2814.786       146.8232 3010.928       151.0312 152.4491 3.980774 157.6722 3.959217 -5.223114      5.614443 
1 1 1 15  15 6  o 241.6262 3.475250 7070.918       203.0646 7268.330       292.6248 6887.553       282.0221 244.8741 4.939307 238.3783 4.890059 6.495804       6.950499 
1 1 1 15  15 7  o 71.44109 3.147843 620.0905       54.26962 655.9124       75.70699 582.2267       77.83489 73.57446 4.253110 69.30771 4.641843 4.266747       6.295685 
1 1 1 15  15 8  o 117.6333 2.700604 1676.284       76.82099 1748.555       109.3320 1605.811       107.9635 120.1400 3.761466 115.1266 3.876135 5.013382       5.401208 
1 1 1 15  15 9  o 129.5179 2.702487 2027.150       84.50854 2219.502       122.8774 1854.511       116.4109 135.3355 3.752822 123.7002 3.889741 11.63529       5.404975 
1 1 1 15  15 10 o 111.1950 2.711789 1497.274       72.90213 1563.740       105.4156 1436.345       100.9290 113.5569 3.836978 108.8332 3.833119 4.723633       5.423578 
1 1 1 15  15 11 o 148.6126 2.753626 2681.522       98.98125 2732.572       139.4083 2629.625       140.5601 150.0463 3.840264 147.1789 3.947428 2.867416       5.507252 
1 1 1 15  15 12 o 69.75246 3.076795 590.3846       51.82956 641.4233       75.48686 544.8644       71.28925 72.60116 4.297595 66.90377 4.404242 5.697388       6.153590 
1 1 1 15  15 13 o 148.8973 2.815074 2701.602       101.4062 2677.058       143.4306 2726.131       143.3896 148.2160 3.999856 149.5786 3.962287 -1.362564      5.630148 
1 1 1 15  15 14 o 117.4203 2.787022 1677.988       79.03690 1805.027       115.6920 1566.807       108.2308 121.5757 3.933273 113.2650 3.949598 8.310738       5.574044 
1 1 1 15  15 15 o 25.72215 6.011063 81.13441       43.80930 98.51555       63.32714 65.18145       60.66966 27.64594 8.575430 23.79836 8.425764 3.847586       12.02213 
1 1 1 15  15 16 o 59.27329 3.693165 434.2050       52.57865 513.9301       77.81812 367.2372       71.32086 64.31210 5.001333 54.23449 5.435490 10.07760       7.386331 
1 1 1 15  15 17 o 48.35357 6.712122 309.8094       55.81398 303.3600       60.51121 346.5794       144.4845 49.15692 5.088021 47.55022 12.42266 1.606701       13.42424 
1 1 1 15  15 18 o 32.61094 7.212253 162.1546       55.02613 168.4023       59.30634 123.4979       147.5206 34.96315 7.249063 30.25873 12.47066 4.704420       14.42451 
1 1 1 15  15 19 o 24.74851 7.152430 85.07568       61.59178 101.7934       65.39278 -46.31767      183.3275 25.87899 8.768430 23.61802 11.30237 2.260965       14.30486 
1 1 1 15  17 0  o 371.4901 4.865393 16693.69       436.1210 17532.99       645.9330 15990.54       591.2278 380.0133 7.025648 362.9669 6.732641 17.04636       9.730785 
1 1 1 15  17 1  o 224.7433 3.340065 6114.488       181.5028 6287.924       262.3045 5955.160       251.4095 227.7952 4.759473 221.6914 4.687384 6.103806       6.680131 
1 1 1 15  17 2  o 115.2080 3.914129 1607.534       109.0989 1607.534       109.0989 0.000000       0.000000 115.2080 3.914129 ?        ?        ?              ?        
1 1 1 15  17 3  o 282.8957 3.903771 9704.269       267.1675 9797.120       380.5466 9614.021       375.1746 284.2283 5.533988 281.5631 5.507511 2.665131       7.807541 
1 1 1 15  17 4  o 240.0360 3.474023 6973.156       201.5548 7240.292       293.0182 6733.250       277.6828 244.3880 4.955784 235.6840 4.869862 8.704041       6.948047 
1 1 1 15  17 5  o 333.7831 4.448957 13519.15       359.1006 13263.82       498.5790 13794.38       517.6473 330.5215 6.234935 337.0446 6.348108 -6.523041      8.897915 
1 1 1 15  17 6  o 300.9078 4.102661 10978.74       298.4477 11297.08       432.5167 10689.40       412.3431 305.0564 5.860307 296.7592 5.743178 8.297272       8.205321 
1 1 1 15  17 7  o 61.95687 3.575027 465.5414       53.55575 443.1306       74.90425 488.9800       76.60284 60.42962 5.123353 63.48412 4.987438 -3.054501      7.150055 
1 1 1 15  17 8  o 256.6652 3.648304 7990.809       226.3451 7784.510       312.1994 8219.397       328.6333 253.1894 5.096643 260.1409 5.221564 -6.951492      7.296608 
1 1 1 15  17 9  o 222.9359 3.322027 6035.166       179.1357 6177.405       256.7049 5900.155       250.0965 225.4936 4.705411 220.3782 4.690690 5.115341       6.644055 
1 1 1 15  17 10 f 65.91562 3.457073 532.6879       54.68084 463.4059       78.35399 598.4642       76.34587 61.67598 5.251009 70.15527 4.498036 -8.479286      6.914147 
1 1 1 15  17 11 o 91.27083 2.897533 1013.901       63.95554 1051.877       90.73975 976.4113       90.15666 92.97783 4.033813 89.56383 4.160666 3.414001       5.795066 
1 1 1 15  17 12 o 67.36109 3.431386 552.1558       55.67160 631.2891       81.84226 484.0058       75.95052 71.85089 4.708072 62.87129 4.993166 8.979599       6.862773 
1 1 1 15  17 13 o 67.89680 3.467296 566.1945       56.94557 552.2011       80.35140 580.3153       80.71622 67.04340 4.953762 68.75020 4.852713 -1.706795      6.934593 
1 1 1 15  17 14 o 64.83076 3.525191 517.7916       55.23431 550.4520       80.01320 488.0593       76.34225 66.78870 4.951723 62.87281 5.018798 3.915882       7.050383 
1 1 1 15  17 15 o 22.93961 6.293875 50.08463       50.10298 40.56346       71.52656 59.25710       70.20455 22.19024 8.849650 23.68898 8.951824 -1.498745      12.58775 
1 1 1 15  17 16 o 38.53445 5.800541 206.0819       53.36531 253.9865       72.71083 150.1472       78.56904 44.38873 6.770552 32.68017 9.420443 11.70856       11.60108 
1 1 1 15  17 17 o 29.11993 6.756347 121.7901       54.98001 136.9038       80.67509 108.6833       75.12791 30.52915 9.708879 27.71072 9.398434 2.818422       13.51269 
1 1 1 15  17 18 o 52.20451 8.024167 389.8494       65.84021 369.0788       69.72152 560.9756       200.1246 53.04076 5.433189 51.36827 15.10065 1.672489       16.04833 
1 1 1 15  19 0  o 203.3521 3.171988 5007.041       155.9536 4885.828       215.8256 5139.484       225.6024 200.7828 4.442978 205.9213 4.528351 -5.138535      6.343975 
1 1 1 15  19 1  o 400.7814 5.218925 19492.52       505.2652 18850.29       691.6809 20227.33       739.8551 393.7515 7.260746 407.8114 7.498683 -14.05991      10.43785 
1 1 1 15  19 2  o 121.9028 2.843451 1800.547       83.86011 1791.276       118.6761 1809.793       118.5163 121.5887 4.034294 122.2168 4.008157 -0.6281204     5.686902 
1 1 1 15  19 3  o 183.8980 3.043855 4098.205       135.4129 4155.389       193.1606 4042.942       189.8869 185.1586 4.311937 182.6374 4.297373 2.521194       6.087710 
1 1 1 15  19 4  o 144.8521 2.873183 2543.222       100.6633 2551.890       140.8507 2534.172       143.9175 145.1078 4.012046 144.5963 4.113905 0.5115051      5.746367 
1 1 1 15  19 5  o 306.6114 4.177102 11366.03       308.7775 12105.47       460.7313 10763.09       416.0359 315.5879 6.034276 297.6349 5.777562 17.95294       8.354203 
1 1 1 15  19 6  o 195.8771 3.132314 4654.980       148.4288 4721.122       211.4350 4590.714       208.4175 197.2486 4.430581 194.5055 4.428941 2.743088       6.264628 
1 1 1 15  19 7  o 58.35655 3.877377 413.2754       54.61899 454.5974       79.31534 376.0066       75.32489 61.13096 5.362825 55.58213 5.601457 5.548828       7.754754 
1 1 1 15  19 8  o 164.1475 4.111429 3272.746       163.2786 3272.746       163.2786 0.000000       0.000000 164.1475 4.111429 ?        ?        ?              ?        
1 1 1 15  19 9  o 65.90855 3.596170 534.0162       56.57321 636.6729       80.27274 432.7097       79.74310 72.30232 4.588952 59.51477 5.538167 12.78755       7.192341 
1 1 1 15  19 10 o 50.97938 4.348340 319.6109       53.60424 324.3012       74.98260 314.7083       76.66096 51.37742 6.032341 50.58134 6.264431 0.7960815      8.696679 
1 1 1 15  19 11 f 134.8947 2.875127 2220.084       93.78880 2259.200       135.1318 2183.729       130.2762 136.0284 4.106065 133.7610 4.025625 2.267441       5.750254 
1 1 1 15  19 12 f 69.35842 3.496992 594.8180       58.04323 700.3370       82.62772 492.0239       81.55385 75.55798 4.520049 63.15886 5.337131 12.39912       6.993983 
1 1 1 15  19 13 o 49.67502 4.438843 308.7868       52.96321 358.4321       76.34943 262.7372       73.53255 53.62438 5.884929 45.72566 6.646873 7.898720       8.877686 
1 1 1 15  19 14 o 68.57783 3.789037 580.8696       62.28614 703.4804       93.12172 481.6068       83.78761 75.14737 5.121945 62.00828 5.585059 13.13909       7.578074 
1 1 1 15  19 15 o 84.72141 3.398112 894.5934       69.39938 1007.207       101.1928 794.5919       95.35801 89.82254 4.656525 79.62028 4.950296 10.20226       6.796223 
1 1 1 15  19 16 o 38.72602 6.218686 223.9256       59.81221 296.6016       80.67678 135.2265       89.12767 47.20796 7.063680 30.24409 10.23683 16.96387       12.43737 
1 1 1 15  19 17 o 34.87316 5.803255 188.1353       63.71441 339.7331       85.65261 0.3279484      95.33458 49.50768 7.150983 20.23864 9.141909 29.26904       11.60651 
1 1 1 15  21 0  o 82.05214 3.256984 816.2194       64.58639 870.8322       92.62692 764.5419       90.10325 84.72595 4.518752 79.37833 4.691764 5.347626       6.513967 
1 1 1 15  21 1  o 295.0074 4.067888 10578.46       290.3362 10567.80       409.7634 10589.20       411.4366 294.8604 5.744001 295.1544 5.761709 -0.2940674     8.135776 
1 1 1 15  21 2  o 286.4587 3.981197 9965.835       275.7432 10258.69       398.7091 9697.350       381.7623 290.4774 5.673374 282.4400 5.586819 8.037445       7.962394 
1 1 1 15  21 3  o 282.4462 3.934570 9697.261       268.7632 9909.432       386.6742 9498.952       373.8282 285.4236 5.599548 279.4688 5.528871 5.954803       7.869139 
1 1 1 15  21 4  o 174.7475 3.006455 3703.887       127.0396 3606.166       176.1953 3809.693       183.3398 172.3529 4.225454 177.1420 4.277922 -4.789108      6.012909 
1 1 1 15  21 5  o 99.70834 2.951850 1207.669       71.19271 1231.869       100.4423 1183.238       100.9229 100.7173 4.122021 98.69942 4.226419 2.017853       5.903700 
1 1 1 15  21 6  o 237.2815 3.484179 6854.457       199.9877 6962.965       285.8211 6750.381       279.9218 239.1166 4.940630 235.4465 4.914079 3.670074       6.968357 
1 1 1 15  21 7  o 71.59457 4.510607 674.1068       70.57198 511.0054       121.2430 757.6825       86.78963 64.32701 7.790424 78.86214 4.548801 -14.53513      9.021214 
1 1 1 15  21 8  o 259.9279 3.732993 8266.945       234.6770 8434.464       337.1971 8109.586       326.8131 262.4621 5.310250 257.3937 5.248065 5.068359       7.465986 
1 1 1 15  21 9  o 86.37335 3.147207 911.5996       65.73738 950.8296       93.94042 873.9550       92.02264 88.20334 4.402153 84.54337 4.498967 3.659966       6.294415 
1 1 1 15  21 10 o 62.20857 3.885662 478.7685       58.17789 534.1650       82.30577 423.4521       82.24619 65.88616 5.163376 58.53098 5.808015 7.355183       7.771325 
1 1 1 15  21 11 o 66.90930 3.848017 552.9929       62.22041 524.4493       85.65967 584.8730       90.52791 65.08630 5.439820 68.73230 5.444015 -3.646004      7.696033 
1 1 1 15  21 12 o 25.51155 6.524641 67.49693       53.77409 26.70983       73.13763 115.4904       79.33607 21.34671 8.787260 29.67638 9.647167 -8.329674      13.04928 
1 1 1 15  21 13 o 18.41981 5.867929 -26.26097      55.32545 -45.89925      82.48064 -10.19777      74.59615 17.97927 8.266469 18.86034 8.330416 -0.8810768     11.73586 
1 1 1 15  21 14 o 51.15928 5.462320 353.7312       63.41490 469.3528       91.38988 246.3651       88.06681 60.41734 6.252221 41.90123 8.958654 18.51611       10.92464 
1 1 1 15  21 15 o 38.71449 6.769771 224.1268       63.07631 231.5726       89.32172 216.7204       89.08549 39.45073 9.476937 37.97826 9.669893 1.472462       13.53954 
1 1 1 15  21 16 o 32.44388 7.181581 173.4527       62.51936 155.9828       84.47385 194.6118       92.96649 30.83503 9.948481 34.05273 10.35993 -3.217693      14.36316 
1 1 1 15  23 0  o 201.7886 3.208505 4933.138       156.3083 5239.780       230.3947 4671.634       212.7631 207.5651 4.587921 196.0122 4.486535 11.55293       6.417010 
1 1 1 15  23 1  o 89.75455 3.149135 978.0225       68.32131 1034.256       98.86304 926.6156       94.52476 92.22232 4.430937 87.28677 4.476049 4.935547       6.298271 
1 1 1 15  23 2  o 20.63397 6.102127 8.662973       51.69749 -15.35707      75.59269 29.76903       70.85923 19.35171 8.471747 21.91623 8.784834 -2.564518      12.20425 
1 1 1 15  23 3  o 133.8463 2.894900 2166.070       93.46261 2392.530       138.2046 1975.221       126.8734 140.2587 4.072775 127.4338 4.115129 12.82486       5.789800 
1 1 1 15  23 4  o 115.1297 2.894803 1612.314       80.55084 1716.214       115.4090 1513.622       112.4797 118.7572 4.016772 111.5022 4.169543 7.255043       5.789607 
1 1 1 15  23 5  o 88.39442 3.130752 949.7919       66.83165 1011.350       98.16230 896.6037       91.24481 91.05015 4.456170 85.73871 4.398746 5.311440       6.261503 
1 1 1 15  23 6  o 59.68874 3.956561 436.8179       56.60925 443.9677       86.39346 431.4384       74.93818 60.05693 5.945870 59.32054 5.221505 0.7363853      7.913121 
1 1 1 15  23 7  o 34.80796 6.508077 151.5763       56.16193 215.0849       87.61151 107.2743       73.17394 40.45477 9.163843 29.16116 9.243606 11.29361       13.01615 
1 1 1 15  23 8  o 111.8685 3.073721 1528.123       83.05634 1636.852       121.4775 1432.677       113.8154 115.5942 4.343675 108.1428 4.350119 7.451462       6.147442 
1 1 1 15  23 9  o 117.0821 3.002910 1680.767       84.85148 1846.667       121.9236 1524.948       118.1611 122.7347 4.105990 111.4295 4.383004 11.30516       6.005820 
1 1 1 15  23 10 o 138.3984 3.015618 2357.256       100.9665 2391.237       143.7960 2324.211       141.8014 139.3823 4.264192 137.4144 4.265263 1.967911       6.031236 
1 1 1 15  23 11 o 84.87085 3.520182 895.7994       72.24261 933.6491       104.0428 860.5620       100.3882 86.60635 4.965465 83.13535 4.991080 3.471008       7.040364 
1 1 1 15  23 12 o 31.40376 6.869447 137.6223       58.14526 111.8781       81.43735 164.3935       83.04588 28.76752 9.784993 34.04000 9.644226 -5.272488      13.73889 
1 1 1 15  23 13 o 57.82557 4.814070 441.2876       66.89614 489.7625       93.87883 391.2823       95.34917 61.38351 6.321405 54.26762 7.262294 7.115883       9.628140 
1 1 1 15  23 14 o 26.28727 6.714185 93.70217       62.05854 154.7653       80.22674 2.729622       97.92300 31.67414 9.621197 20.90040 9.367695 10.77374       13.42837 
1 1 1 15  25 0  o 103.2724 3.074890 1301.980       76.77981 1240.699       107.7852 1365.110       109.3989 100.7899 4.420177 105.7550 4.275726 -4.965034      6.149780 
1 1 1 15  25 1  o 84.30385 3.333203 866.4995       67.86687 925.8315       99.50959 814.9011       92.79803 86.98990 4.728178 81.61780 4.699499 5.372101       6.666405 
1 1 1 15  25 2  o 113.5964 2.973387 1570.096       81.47780 1648.366       120.9326 1505.032       110.2596 116.1541 4.303348 111.0387 4.104305 5.115349       5.946774 
1 1 1 15  25 3  o 41.68301 5.736690 224.9103       55.38597 224.0177       83.73016 225.6048       73.85178 41.45090 8.629759 41.91511 7.560799 -0.4642067     11.47338 
1 1 1 15  25 4  o 122.3644 2.954753 1804.012       86.82068 2086.144       132.6703 1592.690       114.8208 130.6019 4.198771 114.1270 4.158434 16.47488       5.909505 
1 1 1 15  25 5  o 100.8883 3.124059 1237.737       75.80333 1339.078       115.0309 1159.948       100.7811 104.4678 4.551240 97.30884 4.280795 7.158951       6.248119 
1 1 1 15  25 6  o 115.7861 2.997534 1637.522       83.72512 1731.896       124.3094 1559.166       113.2696 118.7941 4.325206 112.7782 4.151317 6.015923       5.995068 
1 1 1 15  25 7  f 82.69675 3.570527 845.4777       71.22138 853.5056       105.0684 838.6531       96.87437 82.99182 5.232802 82.40169 4.859263 0.5901337      7.141055 
1 1 1 15  25 8  o 36.76236 7.154722 186.0325       65.66606 205.9512       95.98003 168.5044       90.03635 38.54344 10.15178 34.98129 10.08472 3.562149       14.30944 
1 1 1 15  25 9  f 61.59685 4.338372 480.1769       64.63738 489.7060       91.16488 470.5442       91.65926 62.24741 6.053464 60.94629 6.216226 1.301121       8.676744 
1 1 1 15  25 10 o 73.16104 3.902027 677.7349       68.89871 714.1101       96.16147 639.3627       98.76571 75.31580 5.277311 71.00627 5.749196 4.309532       7.804054 
1 1 1 15  25 11 o 35.45488 6.752334 183.6669       62.16129 116.0507       87.76743 251.7223       88.05194 28.79173 10.14059 42.11803 8.918774 -13.32630      13.50467 
1 1 1 15  25 12 o 22.04466 6.681278 26.55156       64.91488 -10.01574      91.17329 64.14767       92.44696 19.85304 8.956471 24.23628 9.916630 -4.383240      13.36256 
1 1 1 15  25 13 o 22.54990 6.786150 50.94073       65.17082 64.69485       87.61687 33.90696       97.50498 23.20372 9.591447 21.89608 9.602680 1.307632       13.57230 
1 1 1 15  27 0  o 149.0200 2.995822 2715.515       107.8218 2923.104       157.7851 2533.660       147.6819 154.3501 4.225291 143.6898 4.248143 10.66032       5.991644 
1 1 1 15  27 1  o 65.57365 4.115325 530.3115       63.76239 701.7115       94.95540 389.5585       86.04841 75.32512 5.210477 55.82218 6.371383 19.50294       8.230650 
1 1 1 15  27 2  o 60.12745 4.419313 455.7158       63.71655 409.9408       93.08727 496.0675       87.39909 57.10415 6.737834 63.15075 5.720396 -6.046604      8.838627 
1 1 1 15  27 3  o 41.52772 6.222392 225.4574       60.35871 284.7596       92.44740 181.3961       79.68714 46.37276 8.555228 36.68267 9.037738 9.690090       12.44478 
1 1 1 15  27 4  o 128.8110 3.061291 2041.827       95.25780 2097.940       139.2904 1992.525       130.5625 130.4239 4.414299 127.1980 4.242637 3.225914       6.122581 
1 1 1 15  27 5  o 106.1325 3.184324 1374.560       81.18432 1615.109       122.7513 1187.531       108.2374 114.3092 4.438565 97.95589 4.567144 16.35330       6.368647 
1 1 1 15  27 6  o 109.4896 3.125000 1482.794       82.70759 1544.130       120.0620 1427.400       114.0982 111.6256 4.445693 107.3536 4.392983 4.271950       6.249999 
1 1 1 15  27 7  o 34.23888 6.767345 165.6011       57.91621 162.0294       88.91624 168.2332       76.32891 33.75343 10.10120 34.72434 9.008530 -0.9709129     13.53469 
1 1 1 15  27 8  o 64.07970 5.989083 553.5234       91.70493 565.0208       141.2785 545.1517       120.5539 64.12825 9.105930 64.03114 7.781934 0.9710693E-01  11.97817 
1 1 1 15  27 9  o 61.54574 6.891802 529.1409       96.37498 766.8055       149.0124 358.2391       126.3611 74.79718 8.234455 48.29429 11.05357 26.50289       13.78360 
1 1 1 15  27 10 o 28.31766 8.516483 83.13503       99.47031 186.4366       164.6050 23.71208       124.8437 32.81707 13.30620 23.81826 10.63330 8.998810       17.03297 
1 1 1 15  27 11 f 64.87996 7.180437 677.6688       105.8893 581.7966       160.2729 751.9334       141.0602 57.81881 11.85546 71.94111 8.104482 -14.12230      14.36087 
1 1 1 16  0  0  o 30.63320 2.317639 117.3810       23.59002 117.3810       23.59002 117.3810       23.59002 30.63320 3.277636 30.63320 3.277636 0.000000       0.000000 
1 1 1 16  0  1  o 77.89235 1.972478 736.8304       52.41541 736.8304       52.41541 736.8304       52.41541 77.89235 2.789505 77.89235 2.789505 0.000000       0.000000 
1 1 1 16  0  3  o 146.8897 2.435554 2614.647       122.2550 2614.647       122.2550 2614.647       122.2550 146.8897 3.444393 146.8897 3.444393 0.000000       0.000000 
1 1 1 16  0  4  o 375.3916 4.841946 17069.18       621.4351 17069.18       621.4351 17069.18       621.4351 375.3916 6.847546 375.3916 6.847546 0.000000       0.000000 
1 1 1 16  0  5  o 200.0258 2.939166 4846.809       200.9574 4846.809       200.9574 4846.809       200.9574 200.0258 4.156608 200.0258 4.156608 0.000000       0.000000 
1 1 1 16  0  6  o 377.9510 4.869837 17303.49       629.2770 17303.49       629.2770 17303.49       629.2770 377.9510 6.886989 377.9510 6.886989 0.000000       0.000000 
1 1 1 16  0  7  o 352.9226 4.592159 15088.70       554.0921 15088.70       554.0921 15088.70       554.0921 352.9226 6.494294 352.9226 6.494294 0.000000       0.000000 
1 1 1 16  0  8  f 208.6721 3.035855 5275.750       216.5448 5275.750       216.5448 5275.750       216.5448 208.6721 4.293347 208.6721 4.293347 0.000000       0.000000 
1 1 1 16  0  9  o 13.54691 5.165945 31.48086       33.26692 31.48086       33.26692 31.48086       33.26692 13.54691 7.305749 13.54691 7.305749 0.000000       0.000000 
1 1 1 16  0  10 o 317.5063 4.200944 12221.10       456.0091 12221.10       456.0091 12221.10       456.0091 317.5063 5.941032 317.5063 5.941032 0.000000       0.000000 
1 1 1 16  0  11 o 8.087644 3.814732 -9.675298      28.75986 -9.675298      28.75986 -9.675298      28.75986 8.087644 5.394845 8.087644 5.394845 0.000000       0.000000 
1 1 1 16  0  12 o 344.5133 4.512105 14398.21       531.4549 14398.21       531.4549 14398.21       531.4549 344.5133 6.381080 344.5133 6.381080 0.000000       0.000000 
1 1 1 16  0  14 o 25.94537 5.901056 103.5191       46.23730 103.5191       46.23730 103.5191       46.23730 25.94537 8.345354 25.94537 8.345354 0.000000       0.000000 
1 1 1 16  0  15 o 44.18524 3.571226 245.9414       52.16616 245.9414       52.16616 245.9414       52.16616 44.18524 5.050476 44.18524 5.050476 0.000000       0.000000 
1 1 1 16  0  16 o 129.1210 2.503158 2026.122       110.3986 2026.122       110.3986 2026.122       110.3986 129.1210 3.539999 129.1210 3.539999 0.000000       0.000000 
1 1 1 16  0  17 o 133.4346 2.569202 2166.593       117.0996 2166.593       117.0996 2166.593       117.0996 133.4346 3.633400 133.4346 3.633400 0.000000       0.000000 
1 1 1 16  0  18 o 128.9155 2.605324 2025.949       114.7046 2025.949       114.7046 2025.949       114.7046 128.9155 3.684485 128.9155 3.684485 0.000000       0.000000 
1 1 1 16  0  19 o 64.01617 3.241855 508.9670       70.17011 508.9670       70.17011 508.9670       70.17011 64.01617 4.584675 64.01617 4.584675 0.000000       0.000000 
1 1 1 16  0  20 o 29.96822 7.400345 149.8094       68.65705 149.8094       68.65705 149.8094       68.65705 29.96822 10.46567 29.96822 10.46567 0.000000       0.000000 
1 1 1 16  2  0  o 243.4919 3.908857 7047.768       195.3102 6936.119       222.4799 7422.963       407.8434 239.4104 3.841011 247.5735 6.809059 -8.163040      7.817713 
1 1 1 16  2  1  o 301.8812 4.594478 11212.24       296.8539 11423.78       348.4196 10651.99       567.0134 307.2284 4.687474 296.5339 7.903449 10.69449       9.188956 
1 1 1 16  2  2  o 376.1597 5.512776 17601.19       453.1956 18271.32       541.6993 16038.07       827.3221 388.5157 5.762984 363.8036 9.399511 24.71210       11.02555 
1 1 1 16  2  3  o 504.2383 7.307176 30911.20       775.7811 31017.52       898.8917 30600.83       1535.797 506.1538 7.340447 502.3229 12.63713 3.830902       14.61435 
1 1 1 16  2  4  o 101.7687 2.628381 1258.830       60.82895 1270.114       74.44871 1236.169       105.5042 102.4612 3.003278 101.0763 4.314379 1.384888       5.256762 
1 1 1 16  2  5  o 376.5123 5.597744 17196.01       442.7641 17229.51       512.2189 17096.97       880.6010 377.3185 5.611064 375.7061 9.687876 1.612305       11.19549 
1 1 1 16  2  6  o 226.4558 3.690400 6294.961       177.8629 6396.165       207.9384 6019.037       343.3462 229.9196 3.738146 222.9920 6.364154 6.927643       7.380799 
1 1 1 16  2  7  o 370.0307 5.460240 16968.60       438.4690 17486.37       520.6039 15704.94       813.3106 380.0742 5.661568 359.9872 9.338284 20.08710       10.92048 
1 1 1 16  2  8  o 96.58063 2.530684 1106.674       50.29141 1087.335       57.33405 1171.208       104.7325 94.79776 2.499840 98.36349 4.400937 -3.565727      5.061368 
1 1 1 16  2  9  o 101.4952 2.597688 1247.023       54.00248 1247.068       61.70057 1246.877       111.6449 101.5173 2.512156 101.4731 4.547637 0.4425049E-01  5.195376 
1 1 1 16  2  10 o 242.0778 3.899405 7204.728       200.4834 7319.697       234.1334 6888.757       388.1471 245.8646 3.936090 238.2910 6.732656 7.573608       7.798811 
1 1 1 16  2  11 o 95.12112 2.724540 1101.072       52.34620 1105.442       59.51615 1086.139       110.0069 95.57000 2.574014 94.67225 4.802803 0.8977509      5.449080 
1 1 1 16  2  12 o 299.0939 4.634380 10842.36       335.3525 10842.36       335.3525 0.000000       0.000000 299.0939 4.634380 ?        ?        ?              ?        
1 1 1 16  2  13 f 359.3955 6.670112 15715.58       578.2185 15014.87       781.8314 16561.57       859.0630 350.6679 9.215411 368.1231 9.645608 -17.45520      13.34022 
1 1 1 16  2  14 o 98.88945 2.885504 1160.229       57.18681 1140.556       64.49305 1232.600       123.6951 97.04242 2.746939 100.7365 5.075319 -3.694054      5.771008 
1 1 1 16  2  15 o 253.9802 3.552808 7850.311       218.3100 7864.686       308.8408 7835.955       308.6332 254.2135 5.021503 253.7469 5.027354 0.4665680      7.105617 
1 1 1 16  2  16 o 130.1038 2.502023 2057.527       78.75237 2085.181       111.6864 2030.180       111.0616 130.9757 3.524579 129.2319 3.552156 1.743805       5.004045 
1 1 1 16  2  17 o 137.4162 2.607479 2298.753       86.62418 2207.955       119.7970 2398.251       125.4055 134.5788 3.679314 140.2536 3.695732 -5.674774      5.214958 
1 1 1 16  2  18 o 20.27689 5.527821 33.10581       39.59141 7.246585       56.68721 57.73205       55.31926 17.95403 7.587548 22.59974 8.040915 -4.645712      11.05564 
1 1 1 16  2  19 o 27.32871 5.113956 88.60801       42.29392 182.2264       59.88642 -4.550444      59.73912 37.31930 6.886435 17.33813 7.562223 19.98117       10.22791 
1 1 1 16  2  20 o 59.54482 3.656928 448.4569       52.41635 397.8287       74.00217 499.4306       74.25430 56.02278 5.459810 63.06687 4.866514 -7.044094      7.313856 
1 1 1 16  4  0  o 261.2383 3.569040 8230.586       225.0103 7867.330       305.3589 8662.166       332.8392 254.9563 4.950426 267.5202 5.142515 -12.56389      7.138079 
1 1 1 16  4  1  f 638.7006 7.937358 49343.14       1224.055 47647.16       1668.666 51318.91       1801.056 626.8783 11.00231 650.5229 11.44359 -23.64465      15.87472 
1 1 1 16  4  2  o 484.8489 6.113461 28449.85       716.6660 29063.84       1036.061 27886.54       992.3870 489.8542 8.742104 479.8436 8.548287 10.01065       12.22692 
1 1 1 16  4  3  o 351.7067 4.570075 14967.52       388.7825 15181.38       557.1027 14764.49       542.8185 354.1537 6.501913 349.2597 6.423976 4.894043       9.140150 
1 1 1 16  4  4  o 355.9915 5.420471 14795.04       386.1160 14391.36       434.1172 16323.62       844.7543 344.8562 5.203153 367.1268 9.510690 -22.27054      10.84094 
1 1 1 16  4  5  o 399.4938 5.901971 19397.26       496.6433 19472.17       575.6191 19179.06       982.3864 401.1077 5.931600 397.8800 10.20535 3.227753       11.80394 
1 1 1 16  4  6  o 337.1342 5.144804 13445.58       352.6490 13187.98       399.7967 14348.60       748.5386 330.1089 5.005870 344.1595 8.989842 -14.05066      10.28961 
1 1 1 16  4  7  o 427.9359 6.271356 22378.27       568.9184 22576.92       662.5035 21820.35       1110.277 431.7914 6.341790 424.0804 10.82134 7.711029       12.54271 
1 1 1 16  4  8  o 131.6106 2.762450 2032.820       73.99834 1981.208       83.80981 2215.348       157.6105 127.9572 2.707246 135.2641 4.816154 -7.306816      5.524899 
1 1 1 16  4  9  o 241.6985 3.911819 7168.102       199.8836 7265.691       232.7082 6893.516       390.3457 244.9747 3.926343 238.4223 6.767064 6.552399       7.823638 
1 1 1 16  4  10 o 191.5571 3.584433 4264.615       150.0571 4041.755       175.4820 4870.910       289.4399 182.6913 3.970200 200.4229 5.969099 -17.73160      7.168865 
1 1 1 16  4  11 o 262.0286 4.178987 8324.069       228.4486 8319.538       263.2412 8337.895       459.7830 262.0686 4.151801 261.9886 7.253844 0.8001709E-01  8.357973 
1 1 1 16  4  12 o 145.1021 3.167773 2558.472       103.8444 2570.611       126.1970 2533.016       182.7531 145.6862 3.580372 144.5179 5.226861 1.168320       6.335546 
1 1 1 16  4  13 o 268.5175 4.298827 8700.337       238.7559 8645.376       273.6300 8875.669       488.7284 267.0526 4.235108 269.9822 7.482213 -2.929596      8.597653 
1 1 1 16  4  14 o 167.2221 3.213919 3405.573       111.3239 3415.656       127.9606 3374.182       225.7741 167.8895 3.150288 166.5547 5.602926 1.334808       6.427837 
1 1 1 16  4  15 o 109.4488 3.021617 1384.028       64.50732 1337.425       71.76817 1580.012       147.1765 105.0374 2.824135 113.8601 5.342746 -8.822670      6.043233 
1 1 1 16  4  16 o 55.83910 3.996913 354.5124       41.33961 340.2548       45.22238 427.0078       101.9731 52.89681 3.533634 58.78138 7.170403 -5.884571      7.993825 
1 1 1 16  4  17 o 176.6567 3.407516 3778.866       122.1882 3737.786       138.8054 3920.286       257.5379 175.2118 3.274468 178.1016 5.976830 -2.889816      6.815031 
1 1 1 16  4  18 f 62.52979 3.106697 480.2142       46.87943 434.9959       65.21665 528.5596       67.43399 59.45435 4.533907 65.60523 4.248524 -6.150883      6.213394 
1 1 1 16  4  19 o 51.30898 3.872219 330.2766       47.67062 384.7229       68.40354 278.8634       66.47087 55.54710 5.089967 47.07087 5.836827 8.476231       7.744438 
1 1 1 16  4  20 o 59.21625 3.987634 453.6848       55.79153 350.2605       79.48763 554.1119       78.32742 52.07940 6.308576 66.35310 4.879219 -14.27371      7.975269 
1 1 1 16  6  0  o 930.8460 16.26923 105617.1       3661.701 107804.9       5290.197 103605.0       5073.454 940.0074 23.26153 921.6846 22.75197 18.32288       32.53846 
1 1 1 16  6  1  o 596.2548 7.441582 43056.43       1073.073 42414.97       1492.769 43742.34       1543.616 591.6702 10.42823 600.8395 10.61888 -9.169312      14.88316 
1 1 1 16  6  2  o 304.9884 4.058608 11254.85       299.4319 11128.81       419.0904 11386.29       427.9706 303.2451 5.712308 306.7318 5.767038 -3.486725      8.117216 
1 1 1 16  6  3  o 937.9789 11.54231 106651.3       2616.336 103870.0       3598.410 109770.6       3810.836 925.0719 16.07803 950.8859 16.56493 -25.81396      23.08463 
1 1 1 16  6  4  o 837.2971 10.32404 84951.39       2089.108 82786.86       2875.197 87372.16       3040.628 826.0504 14.38662 848.5438 14.81108 -22.49341      20.64808 
1 1 1 16  6  5  o 711.5677 8.809690 61323.05       1514.934 59753.12       2084.156 63081.75       2205.904 701.9517 12.27215 721.1838 12.64266 -19.23212      17.61938 
1 1 1 16  6  6  o 70.93086 3.376921 608.7651       57.95068 0.000000       0.000000 608.7651       57.95068 ?        ?        70.93086 3.376921 ?              ?        
1 1 1 16  6  7  o 483.4377 6.119216 28186.57       712.5283 29948.97       1070.100 26782.83       955.0247 496.9027 8.901241 469.9726 8.399234 26.93008       12.23843 
1 1 1 16  6  8  o 132.1440 2.783332 2113.143       88.98461 2113.143       88.98461 0.000000       0.000000 132.1440 2.783332 ?        ?        ?              ?        
1 1 1 16  6  9  o 232.4129 4.046391 6665.351       218.4665 7009.892       277.1482 6099.940       355.0368 240.5591 4.761984 224.2668 6.543441 16.29234       8.092782 
1 1 1 16  6  10 o 244.0723 3.949044 7311.204       204.1744 7408.829       237.9494 7038.667       397.5724 247.3363 3.976440 240.8082 6.824055 6.528076       7.898088 
1 1 1 16  6  11 f 111.6860 2.915080 1555.513       65.47263 1593.027       74.70754 1431.291       135.9454 114.7207 2.691661 108.6513 5.171627 6.069397       5.830159 
1 1 1 16  6  12 o 102.9429 3.044957 1346.218       62.40853 1397.840       71.22138 1175.491       129.5222 107.4555 2.739550 98.43031 5.438926 9.025238       6.089914 
1 1 1 16  6  13 o 166.0746 3.264472 3283.825       108.7859 3236.152       122.8149 3457.466       234.3904 163.4562 3.105613 168.6931 5.743019 -5.236877      6.528943 
1 1 1 16  6  14 o 111.5476 3.064148 1516.955       67.25401 1521.400       75.69551 1500.297       146.5504 112.0591 2.792033 111.0360 5.455325 1.023094       6.128297 
1 1 1 16  6  15 o 187.2263 3.488358 4194.445       131.3508 4133.822       148.4655 4412.850       281.7972 184.5468 3.325192 189.9059 6.133323 -5.359192      6.976715 
1 1 1 16  6  16 o 101.2887 3.186755 1245.215       62.04311 1240.181       69.17836 1265.913       140.2674 101.0612 2.829331 101.5163 5.711088 -0.4551163     6.373511 
1 1 1 16  6  17 o 79.97684 3.545645 775.7993       53.74501 769.2309       59.62063 804.2832       124.1558 79.49042 3.100127 80.46326 6.377744 -0.9728470     7.091290 
1 1 1 16  6  18 o 76.50206 4.382760 802.7135       67.83222 880.1718       79.54840 596.3117       129.8537 84.71300 3.881317 68.29113 7.859370 16.42187       8.765519 
1 1 1 16  6  19 o 20.75512 5.509151 36.57202       45.24947 83.91378       49.48713 -204.8781      111.7593 25.17729 7.536039 16.33296 8.038101 8.844336       11.01830 
1 1 1 16  6  20 o 30.88662 7.521884 136.0069       62.86813 135.2843       72.28349 138.2510       127.3915 30.65810 9.092317 31.11514 11.98519 -0.4570446     15.04377 
1 1 1 16  8  0  o 594.5663 7.412697 42756.48       1064.933 41558.16       1462.206 44110.11       1554.075 585.7219 10.31846 603.4108 10.64527 -17.68890      14.82539 
1 1 1 16  8  1  o 284.8199 3.851663 9817.086       265.4120 9817.082       375.6238 9817.090       375.0752 284.8198 5.451056 284.8200 5.443090 -0.2746582E-03 7.703327 
1 1 1 16  8  2  o 269.6071 3.692716 8762.769       240.2307 8360.491       325.6378 9243.135       355.8430 262.8458 5.120727 276.3684 5.321913 -13.52261      7.385432 
1 1 1 16  8  3  o 315.1541 4.191926 11987.71       318.9947 11515.58       434.8555 12537.76       469.3723 308.4575 5.827032 321.8507 6.027824 -13.39325      8.383851 
1 1 1 16  8  4  o 255.3865 4.337839 7878.445       252.2893 7944.081       439.2506 7846.133       308.1958 256.1505 7.087856 254.6225 5.002966 1.528030       8.675677 
1 1 1 16  8  5  o 186.0535 3.498930 4212.989       149.6881 4114.218       253.4693 4265.883       185.4882 184.3536 5.682919 187.7534 4.083439 -3.399826      6.997860 
1 1 1 16  8  6  o 151.0994 3.254151 2793.183       111.3226 2849.460       136.0876 2679.358       193.5412 153.4436 3.665789 148.7552 5.377730 4.688446       6.508301 
1 1 1 16  8  7  f 312.3682 4.151488 11820.84       313.7183 11728.21       440.3830 11916.28       447.0209 311.1276 5.850455 313.6088 5.891654 -2.481140      8.302977 
1 1 1 16  8  8  o 124.9060 3.436332 1888.569       103.8438 1888.569       103.8438 0.000000       0.000000 124.9060 3.436332 ?        ?        ?              ?        
1 1 1 16  8  9  o 176.7616 2.781957 3783.626       118.9633 3779.431       167.2584 3787.922       169.2382 176.6634 3.913263 176.8597 3.955187 -0.1963043     5.563914 
1 1 1 16  8  10 o 363.1456 4.728305 16006.76       415.3603 15830.99       581.4017 16189.99       593.6046 361.1161 6.654681 365.1751 6.718832 -4.059052      9.456611 
1 1 1 16  8  11 o 325.4515 5.019610 12794.27       338.2688 12720.61       387.9378 13027.96       690.9574 323.9042 4.950432 326.9987 8.733794 -3.094482      10.03922 
1 1 1 16  8  12 o 98.41106 3.152057 1130.238       59.28994 1103.816       65.66277 1246.877       137.9626 95.47983 2.842531 101.3423 5.626887 -5.862457      6.304113 
1 1 1 16  8  13 o 90.63170 3.283246 943.2829       55.41278 914.7083       60.80535 1083.284       134.5912 86.89809 2.892206 94.36530 5.895249 -7.467201      6.566493 
1 1 1 16  8  14 o 161.5502 3.276926 3182.232       107.2546 3189.851       122.0804 3156.455       224.5525 162.2001 3.110946 160.9002 5.768447 1.299911       6.553852 
1 1 1 16  8  15 f 68.67426 3.943433 605.5628       47.28971 619.3046       51.75697 536.1095       116.3576 71.43108 2.994879 65.91744 7.296119 5.513634       7.886866 
1 1 1 16  8  16 o 25.93483 6.323679 75.86509       37.16770 78.64196       39.60999 55.40749       107.5113 24.76378 6.521208 27.10588 10.83649 -2.342100      12.64736 
1 1 1 16  8  17 o 59.75350 4.497135 439.4937       46.75200 437.0659       50.79634 452.9447       119.5634 59.83283 3.509058 59.67418 8.281509 0.1586533      8.994269 
1 1 1 16  8  18 o 54.81336 5.909605 447.0741       51.20000 471.5538       55.93750 320.6425       127.1240 61.98541 3.730021 47.64132 11.21520 14.34409       11.81921 
1 1 1 16  8  19 o 61.81011 4.750237 485.1472       54.20393 481.1575       59.83803 503.3908       127.9568 62.35627 3.966385 61.26396 8.632890 1.092312       9.500473 
1 1 1 16  8  20 o 34.95269 7.836019 202.4706       79.64555 251.1600       99.83326 117.2278       132.0951 40.57241 10.18563 29.33297 11.91074 11.23944       15.67204 
1 1 1 16  10 0  o 574.7712 7.183871 40027.05       998.9765 40065.07       1414.188 39989.18       1411.348 575.0432 10.16493 574.4993 10.15412 0.5438843      14.36774 
1 1 1 16  10 1  o 391.1296 5.049273 18521.18       477.8047 18543.67       676.7365 18498.84       674.7039 391.3660 7.147171 390.8932 7.134323 0.4728088      10.09855 
1 1 1 16  10 2  o 284.5039 3.868967 9796.235       266.3003 9859.710       378.4679 9733.994       374.7702 285.4164 5.480850 283.5914 5.462226 1.824921       7.737935 
1 1 1 16  10 3  o 585.1931 7.313770 41485.39       1034.870 42376.89       1494.839 40664.86       1434.102 591.2127 10.45078 579.1735 10.23456 12.03925       14.62754 
1 1 1 16  10 4  o 500.4127 6.319823 30358.82       765.1298 30376.33       1082.909 30341.36       1081.207 500.5562 8.942043 500.2691 8.933114 0.2870789      12.63965 
1 1 1 16  10 5  o 411.3943 5.286929 20442.89       524.7870 21474.59       777.5727 19579.84       711.1846 420.8742 7.636359 401.9145 7.313856 18.95975       10.57386 
1 1 1 16  10 6  o 150.2752 2.614570 2733.067       95.04803 2787.846       135.3975 2679.845       133.4599 151.7598 3.687667 148.7906 3.707428 2.969147       5.229140 
1 1 1 16  10 7  o 49.88217 3.132039 303.8913       37.31225 360.0140       52.79163 247.8711       52.74339 54.52831 4.001665 45.23604 4.819269 9.292263       6.264078 
1 1 1 16  10 8  o 230.4127 4.100647 6222.581       207.8527 5942.551       244.5257 6951.814       394.5987 221.4825 4.563340 239.3428 6.814482 -17.86032      8.201295 
1 1 1 16  10 9  o 63.57732 2.645008 489.4899       40.67949 488.6940       57.05122 490.3130       58.02000 63.52528 3.712069 63.62936 3.768928 -0.1040764     5.290017 
1 1 1 16  10 10 o 100.3675 2.457996 1219.976       59.68243 1203.663       84.41377 1236.281       84.39365 99.69581 3.499727 101.0391 3.452375 -1.343300      4.915992 
1 1 1 16  10 11 o 328.5598 4.357244 13111.65       346.3604 13128.86       490.1935 13094.50       489.4626 328.7750 6.162635 328.3446 6.161511 0.4303589      8.714487 
1 1 1 16  10 12 o 54.31849 3.136257 358.2851       41.16910 347.4196       59.04773 368.5634       57.42978 53.51192 4.560897 55.12505 4.306118 -1.613125      6.272514 
1 1 1 16  10 13 o 176.4063 3.415546 3599.268       118.5545 3475.704       132.2852 4103.510       267.2301 169.3226 3.229192 183.4899 6.019645 -14.16722      6.831091 
1 1 1 16  10 14 o 68.02777 4.122794 587.4753       49.44301 598.1702       54.15933 533.9679       121.1412 70.20828 3.188472 65.84726 7.604168 4.361023       8.245588 
1 1 1 16  10 15 o 63.81396 4.623383 544.5430       48.59438 562.1913       52.73485 445.2112       125.1098 68.00780 3.205063 59.62013 8.673536 8.387676       9.246765 
1 1 1 16  10 16 o 68.93645 4.074115 555.7730       49.80810 541.5809       54.07431 635.2172       127.9378 66.66858 3.352490 71.20433 7.426605 -4.535751      8.148230 
1 1 1 16  10 17 o 29.87389 6.339695 120.6313       41.80504 127.8397       45.15205 77.34682       110.6432 31.48857 6.147425 28.25920 11.08946 3.229374       12.67939 
1 1 1 16  10 18 o 54.54188 5.362863 371.8112       51.46880 362.9289       56.41102 415.9429       125.7409 54.16359 4.304812 54.92017 9.823938 -0.7565765     10.72573 
1 1 1 16  10 19 o 56.53100 5.509661 414.3102       54.96355 405.9713       60.44473 454.1345       132.0923 56.99524 4.383465 56.06676 10.10993 0.9284821      11.01932 
1 1 1 16  10 20 o 26.99523 7.613335 2.200958       80.61345 -117.3825      97.18726 265.9131       144.3241 16.26842 7.894351 37.72204 13.02040 -21.45362      15.22667 
1 1 1 16  12 0  o 415.2880 5.334200 20878.12       535.6603 20481.66       743.0535 21307.08       772.9042 411.1920 7.469184 419.3840 7.617483 -8.192047      10.66840 
1 1 1 16  12 1  o 36.82289 4.775424 170.4224       41.02653 135.6798       59.49681 201.9182       56.64848 32.80878 7.638314 40.83701 5.733661 -8.028233      9.550848 
1 1 1 16  12 2  o 340.0765 4.487257 14002.57       369.0923 14245.58       529.7748 13773.36       514.5104 342.9397 6.385152 337.2133 6.306482 5.726471       8.974513 
1 1 1 16  12 3  o 187.9136 4.160491 4274.447       189.1495 4274.447       189.1495 0.000000       0.000000 187.9136 4.160491 ?        ?        ?              ?        
1 1 1 16  12 4  o 411.5545 5.293720 20527.62       526.8213 20984.83       760.1157 20104.97       730.8229 415.9518 7.553259 407.1573 7.419039 8.794556       10.58744 
1 1 1 16  12 5  o 244.6594 3.485901 7247.880       206.3009 7399.111       295.0935 7103.307       288.5245 247.1545 4.935019 242.1644 4.924592 4.990112       6.971802 
1 1 1 16  12 6  o 314.9839 4.215648 12024.40       321.1870 11841.27       448.4707 12217.23       460.2108 312.5262 5.931238 317.4416 5.992260 -4.915405      8.431296 
1 1 1 16  12 7  o 213.0833 3.161227 5500.194       162.9673 5534.899       231.2342 5465.944       229.7144 213.7511 4.471379 212.4155 4.469919 1.335556       6.322453 
1 1 1 16  12 8  o 251.0466 4.325018 7572.117       245.6439 7857.228       436.0868 7439.607       297.2967 254.3453 7.086746 247.7478 4.959956 6.597488       8.650037 
1 1 1 16  12 10 o 147.3162 2.679636 2625.353       95.42588 2534.337       131.7066 2725.929       138.4510 144.6340 3.763872 149.9984 3.815111 -5.364395      5.359273 
1 1 1 16  12 11 o 69.88124 2.979021 593.7401       50.19401 646.9414       70.74363 539.8063       71.22897 73.05021 4.002797 66.71227 4.413149 6.337936       5.958042 
1 1 1 16  12 12 o 127.6861 2.631978 1975.769       81.26987 1908.602       112.9846 2047.777       116.9856 125.4395 3.722911 129.9327 3.721446 -4.493195      5.263956 
1 1 1 16  12 13 o 90.84496 2.696100 1004.267       59.09886 1087.316       83.51297 920.9563       83.64401 94.62980 3.647738 87.06010 3.971123 7.569695       5.392200 
1 1 1 16  12 14 o 26.40119 6.904449 63.24282       49.53768 55.17231       55.58947 94.37240       109.1764 22.60048 8.058465 30.20191 11.21369 -7.601433      13.80890 
1 1 1 16  12 15 o 78.96254 4.111211 748.2447       56.23609 739.2554       60.91409 800.1190       146.3293 77.93429 3.230627 79.99080 7.561170 -2.056511      8.222423 
1 1 1 16  12 16 o 46.73498 5.897614 247.3700       46.24625 233.2187       49.66478 339.6788       126.8444 43.52828 4.716011 49.94168 10.81141 -6.413399      11.79523 
1 1 1 16  12 17 o 55.82188 5.428459 409.1335       51.36189 411.3814       56.20058 397.7394       126.5283 57.81398 4.017960 53.82979 10.08606 3.984196       10.85692 
1 1 1 16  12 18 o 40.48747 6.484487 192.1272       50.49757 168.8192       55.58223 302.3200       120.8535 35.71881 6.677366 45.25613 11.11787 -9.537315      12.96897 
1 1 1 16  12 19 o 19.52225 6.257280 1.691727       52.62090 17.01326       57.27342 -81.28495      133.2846 18.08929 7.634708 20.95520 9.915919 -2.865913      12.51456 
1 1 1 16  12 20 o 39.01670 8.764120 298.7094       91.53719 297.9179       108.5775 300.6544       170.1997 41.75042 10.70003 36.28298 13.88339 5.467442       17.52824 
1 1 1 16  14 0  o 338.5663 4.476231 13862.50       366.0809 14404.30       536.2366 13389.58       500.9918 344.7387 6.429306 332.3940 6.229816 12.34476       8.952462 
1 1 1 16  14 1  o 61.96845 3.090689 464.2825       46.29334 493.2317       66.80219 437.5347       64.21195 63.82480 4.326123 60.11211 4.415213 3.712696       6.181379 
1 1 1 16  14 2  o 201.7226 3.088138 4926.186       150.6936 5003.032       215.2817 4852.359       211.0084 203.2642 4.377678 200.1810 4.356870 3.083237       6.176275 
1 1 1 16  14 3  o 494.1187 6.269525 29656.71       749.2726 30135.88       1075.597 29204.96       1044.356 497.9794 8.927627 490.2581 8.804841 7.721252       12.53905 
1 1 1 16  14 4  o 279.5607 3.836052 9471.778       259.4539 9445.340       366.1126 9498.451       367.7392 279.1693 5.420568 279.9522 5.429423 -0.7829590     7.672105 
1 1 1 16  14 5  o 65.54681 3.185200 519.8967       50.48336 499.3694       70.10540 542.0062       72.75692 64.20425 4.513209 66.88939 4.495881 -2.685143      6.370400 
1 1 1 16  14 6  o 314.7908 4.226977 11930.30       320.1732 11209.11       426.6618 12859.89       484.4009 304.0083 5.800909 325.5732 6.149700 -21.56497      8.453955 
1 1 1 16  14 7  o 296.1206 5.679484 10636.51       406.8926 10636.51       406.8926 0.000000       0.000000 296.1206 5.679484 ?        ?        ?              ?        
1 1 1 16  14 8  o 231.5700 3.368771 6493.082       188.5892 6307.810       260.4873 6697.165       273.3912 228.1074 4.720032 235.0326 4.807886 -6.925217      6.737541 
1 1 1 16  14 9  o 182.3405 2.953622 4029.692       130.2884 4099.718       184.7633 3960.431       183.7521 183.9183 4.152299 180.7628 4.201661 3.155426       5.907245 
1 1 1 16  14 10 o 244.2960 3.501258 7237.732       206.8288 7461.846       298.5070 7030.792       286.8419 247.9255 4.976581 240.6664 4.926344 7.259064       7.002515 
1 1 1 16  14 11 o 120.9973 2.682785 1777.014       78.49258 1830.711       110.4851 1722.295       111.5329 122.8507 3.717268 119.1438 3.869270 3.706810       5.365569 
1 1 1 16  14 12 o 93.95329 3.869241 1072.274       87.95087 1072.274       87.95087 0.000000       0.000000 93.95329 3.869241 ?        ?        ?              ?        
1 1 1 16  14 13 f 259.7958 3.688188 8249.526       231.7135 8455.520       333.8927 8058.154       321.8252 262.9035 5.249382 256.6881 5.182174 6.215424       7.376377 
1 1 1 16  14 14 o 138.5249 2.703416 2338.038       90.55554 2435.805       130.4001 2246.973       125.8507 141.3218 3.813875 135.7280 3.832516 5.593796       5.406831 
1 1 1 16  14 15 o 70.57849 3.174921 612.0377       54.15838 581.4843       76.67326 642.4611       76.51005 68.79187 4.606855 72.36510 4.370056 -3.573235      6.349843 
1 1 1 16  14 16 o 74.72476 4.089516 672.1564       57.13411 657.5031       62.98034 740.2737       135.7890 73.26332 3.553170 76.18620 7.366922 -2.922882      8.179032 
1 1 1 16  14 17 o 82.07865 4.262542 849.5084       64.43378 846.7369       71.10942 862.2249       152.3196 82.96376 3.542717 81.19354 7.754109 1.770218       8.525084 
1 1 1 16  14 18 o 34.26026 7.209636 163.8436       53.22172 159.5861       58.02013 186.4366       133.6548 34.14577 7.247471 34.37475 12.46554 -0.2289772     14.41927 
1 1 1 16  14 19 o 27.01170 7.648558 78.76576       56.99063 59.20174       61.65079 193.6942       149.4250 21.71282 8.344420 32.31058 12.82078 -10.59776      15.29712 
1 1 1 16  16 0  o 362.2010 4.749808 15915.75       416.1897 16040.79       593.2407 15794.55       584.0297 363.5975 6.743848 360.8045 6.690532 2.792999       9.499616 
1 1 1 16  16 1  o 117.8681 2.684130 1682.707       76.51881 1638.892       108.4152 1726.198       108.0139 116.3371 3.851851 119.3991 3.739178 -3.062019      5.368259 
1 1 1 16  16 2  o 517.4577 6.552218 32576.68       820.0184 33083.98       1177.936 32099.66       1142.250 521.3400 9.338955 513.5754 9.192941 7.764648       13.10444 
1 1 1 16  16 3  o 179.4082 2.942392 3898.090       127.7053 3844.564       179.2361 3953.280       182.0009 178.1577 4.158326 180.6588 4.164013 -2.501083      5.884784 
1 1 1 16  16 4  o 254.6726 3.606401 7861.200       222.1886 7932.037       316.7398 7792.571       311.7636 255.8002 5.117991 253.5451 5.082389 2.255096       7.212802 
1 1 1 16  16 5  o 296.7522 4.045030 10658.15       289.9434 10274.93       396.5506 11098.34       425.0109 291.0467 5.631623 302.4577 5.808088 -11.41098      8.090059 
1 1 1 16  16 6  f 135.4774 2.756491 2221.912       90.29597 2332.681       129.4289 2116.877       126.0343 138.7668 3.855170 132.1880 3.940892 6.578812       5.512982 
1 1 1 16  16 7  o 126.2284 2.758542 1927.253       84.07986 2104.414       121.4447 1764.163       116.5217 131.7950 3.808707 120.6619 3.991485 11.13306       5.517083 
1 1 1 16  16 8  o 296.6255 4.049319 10684.65       290.5413 10556.85       406.0645 10818.71       415.8864 294.8157 5.693013 298.4353 5.759995 -3.619629      8.098639 
1 1 1 16  16 9  o 146.0141 2.783208 2586.013       98.30396 2631.838       138.7358 2539.807       139.3116 147.3174 3.892532 144.7107 3.979093 2.606720       5.566416 
1 1 1 16  16 10 o 172.5105 2.940493 3604.539       122.5730 3833.225       178.4579 3400.307       168.6468 177.6785 4.151437 167.3426 4.165522 10.33595       5.880987 
1 1 1 16  16 11 o 128.8883 2.713561 2018.400       84.58081 2097.952       120.2562 1940.523       118.9846 131.4095 3.782494 126.3671 3.891836 5.042488       5.427122 
1 1 1 16  16 12 o 37.29544 5.449605 178.4887       47.50411 178.9267       68.85160 178.0908       65.62630 37.30351 7.876074 37.28737 7.533940 0.1613998E-01  10.89921 
1 1 1 16  16 13 o 104.8965 2.852701 1337.935       72.24454 1454.815       105.9785 1236.469       98.74323 109.1638 4.012698 100.6291 4.055845 8.534714       5.705403 
1 1 1 16  16 14 o 92.97495 2.922760 1060.359       65.53549 1163.805       93.11102 958.8008       92.25725 97.52643 3.946176 88.42347 4.312515 9.102959       5.845519 
1 1 1 16  16 15 o 29.76060 5.814235 114.2100       47.38198 181.5837       67.26714 47.86354       66.75233 37.06365 7.750854 22.45755 8.668655 14.60610       11.62847 
1 1 1 16  16 16 o 26.13026 6.404460 85.39498       50.53732 57.64708       72.47702 111.6534       70.50490 23.51642 9.045115 28.74411 9.069418 -5.227690      12.80892 
1 1 1 16  16 17 o 23.34959 7.244138 17.00761       50.03846 8.018003       52.88794 93.75372       154.5305 17.01458 7.264702 29.68460 12.53532 -12.67002      14.48828 
1 1 1 16  16 18 o 24.84461 7.880137 27.66661       59.86244 13.23561       62.96532 163.3551       193.0745 18.20428 7.852184 31.48494 13.66490 -13.28066      15.76027 
1 1 1 16  18 0  o 275.9840 3.840710 9236.008       256.4315 9162.887       360.2330 9311.124       365.1140 274.8786 5.416769 277.0894 5.446360 -2.210815      7.681420 
1 1 1 16  18 1  o 45.54092 4.420277 251.6697       48.49510 283.8061       69.73409 221.5720       67.48601 48.36261 5.959819 42.71923 6.529622 5.643387       8.840554 
1 1 1 16  18 2  o 175.6576 2.960346 3736.443       125.7739 3823.541       180.4778 3654.201       175.3743 177.6460 4.199195 173.6692 4.173888 3.976761       5.920691 
1 1 1 16  18 3  o 130.6851 2.812821 2068.639       88.90184 2148.236       126.6848 1991.407       124.7890 133.1637 3.932208 128.2064 4.023131 4.957230       5.625641 
1 1 1 16  18 4  o 392.1736 5.104186 18693.69       484.1242 19017.69       695.8260 18389.70       674.0054 395.4502 7.272882 388.8969 7.163521 6.553284       10.20837 
1 1 1 16  18 5  o 82.78378 3.119327 831.7164       62.37548 885.2863       88.17162 778.0478       88.25293 85.46101 4.264406 80.10654 4.553642 5.354477       6.238655 
1 1 1 16  18 6  o 72.80658 3.374041 642.0985       59.13794 558.1797       81.79523 734.0101       85.60194 67.82034 4.985006 77.79282 4.548223 -9.972481      6.748082 
1 1 1 16  18 7  o 58.26266 3.765541 412.4833       53.06902 412.5786       74.35133 412.3842       75.77065 58.27203 5.273831 58.25328 5.376235 0.1875305E-01  7.531082 
1 1 1 16  18 8  o 171.2537 2.934578 3557.654       121.5014 3498.137       168.1549 3622.671       175.7549 169.7641 4.094128 172.7433 4.205367 -2.979263      5.869156 
1 1 1 16  18 9  o 61.79118 3.608433 464.2778       53.87841 451.2525       74.02064 478.9549       78.57423 60.87712 5.025698 62.70523 5.179336 -1.828114      7.216866 
1 1 1 16  18 10 o 20.42666 5.682454 10.01438       44.75470 71.15850       66.79829 -39.79008      60.28679 25.26637 8.850233 15.58695 7.129833 9.679421       11.36491 
1 1 1 16  18 11 o 19.70298 5.779737 14.37566       45.31693 -1.933618      69.35963 26.52347       59.86023 19.22735 8.267229 20.17860 8.079256 -0.9512463     11.55947 
1 1 1 16  18 12 o 47.83242 4.624220 286.7003       52.80670 236.7399       75.21406 335.2663       74.15706 43.56687 7.135761 52.09797 5.883414 -8.531094      9.248440 
1 1 1 16  18 13 o 36.96994 5.499994 180.4563       48.66400 122.3922       69.75450 235.5138       67.92455 30.51305 8.899659 43.42683 6.464968 -12.91377      10.99999 
1 1 1 16  18 14 o 49.26711 4.464165 303.7069       53.03407 326.4827       79.04226 285.0583       71.52318 50.90594 6.417836 47.62828 6.206968 3.277653       8.928330 
1 1 1 16  18 15 o 81.45132 3.310994 826.2572       65.04762 747.2476       91.26911 907.8176       92.73074 77.39574 4.874212 85.50691 4.482499 -8.111168      6.621989 
1 1 1 16  18 16 o 84.15337 3.431484 889.5740       69.75690 832.4918       95.75968 954.1116       101.8214 81.27387 4.870006 87.03286 4.835637 -5.758987      6.862969 
1 1 1 16  18 17 o 17.96653 5.744609 -24.00859      54.45446 -64.32131      74.75869 21.55476       79.47829 15.55674 7.380153 20.37632 8.805424 -4.819585      11.48922 
1 1 1 16  20 0  o 283.5744 5.564833 9761.586       381.7874 9761.586       381.7874 0.000000       0.000000 283.5744 5.564833 ?        ?        ?              ?        
1 1 1 16  20 1  o 150.3164 2.898161 2738.073       105.3769 2816.124       150.1298 2662.277       147.9450 152.4294 4.070951 148.2034 4.126101 4.226028       5.796322 
1 1 1 16  20 2  o 48.98066 4.957943 301.2951       55.64896 379.5767       78.64786 222.8076       78.75127 55.89917 5.815394 42.06214 8.031562 13.83703       9.915886 
1 1 1 16  20 3  o 311.3157 4.236403 11778.35       319.0341 11937.86       455.9767 11625.37       446.5361 313.3742 6.014190 309.2571 5.968079 4.117035       8.472806 
1 1 1 16  20 4  o 235.8090 3.473891 6749.588       198.1560 6883.324       283.3139 6621.512       277.2541 238.0940 4.918325 233.5240 4.907316 4.569992       6.947782 
1 1 1 16  20 5  o 76.41235 3.269998 709.4193       60.39142 748.7619       85.64974 670.5208       85.16505 78.52761 4.508181 74.29709 4.737915 4.230522       6.539995 
1 1 1 16  20 6  o 41.19985 5.540308 212.7871       53.71820 263.8616       77.26372 164.9982       74.73727 46.46618 6.872843 35.93353 8.691609 10.53265       11.08062 
1 1 1 16  20 7  o 111.0083 3.839702 1495.474       93.86599 1485.666       111.5018 1519.334       173.9107 110.5648 4.168334 111.4517 6.449671 -0.8868179     7.679405 
1 1 1 16  20 8  o 66.40234 3.649818 540.9918       58.15377 514.3760       86.73215 562.7304       78.38378 64.86674 5.526571 67.93796 4.768826 -3.071220      7.299636 
1 1 1 16  20 9  o 48.21599 4.547183 286.5410       52.99991 282.4030       76.18025 290.4226       73.78357 47.85809 6.579377 48.57389 6.278478 -0.7158089     9.094366 
1 1 1 16  20 10 o 50.72646 4.338415 317.9813       53.11585 346.1175       75.68539 290.6745       74.56153 52.97733 5.904997 48.47559 6.357545 4.501747       8.676830 
1 1 1 16  20 11 o 45.87136 4.932163 265.6175       52.64244 209.8550       72.10854 329.2516       77.03025 40.24199 7.686668 51.50073 6.182237 -11.25874      9.864326 
1 1 1 16  20 12 o 65.31044 3.887879 529.8448       61.37242 509.8759       87.47777 549.2012       86.12545 64.05288 5.644907 66.56801 5.347659 -2.515129      7.775759 
1 1 1 16  20 13 o 80.89830 3.384918 811.0286       66.22504 829.1731       95.28954 794.0768       92.10438 81.76041 4.817257 80.03619 4.756544 1.724213       6.769836 
1 1 1 16  20 14 o 50.57178 4.888207 329.4521       59.38110 382.9495       86.02443 280.7599       82.07018 54.66925 6.503937 46.47430 7.299115 8.194950       9.776414 
1 1 1 16  20 15 o 85.91281 3.497896 935.2660       72.41467 957.1149       98.90370 910.0187       106.3173 87.18632 4.688802 84.63931 5.191940 2.547012       6.995792 
1 1 1 16  20 16 o 25.48325 6.739331 81.19093       58.50502 31.18331       78.76826 142.7267       87.37693 20.85696 8.884515 30.10955 10.13606 -9.252584      13.47866 
1 1 1 16  22 0  o 119.7926 2.929420 1741.800       84.90063 1732.621       119.9074 1751.029       120.2285 119.4756 4.148246 120.1096 4.137396 -0.6340485     5.858839 
1 1 1 16  22 1  o 51.75433 4.576516 332.4451       56.07267 258.1433       80.22584 403.4090       78.40305 45.94865 7.216709 57.56000 5.630019 -11.61134      9.153032 
1 1 1 16  22 2  o 128.5977 2.867061 2005.195       89.14400 2095.739       128.6955 1921.684       123.5964 131.3855 4.048682 125.8100 4.060582 5.575493       5.734121 
1 1 1 16  22 3  o 96.85737 3.014491 1141.046       70.56200 1101.133       100.9500 1179.176       98.66859 95.18732 4.383538 98.52741 4.139229 -3.340088      6.028982 
1 1 1 16  22 4  o 59.73429 3.894554 434.9876       56.26418 447.6893       80.84998 423.0599       78.34812 60.57847 5.516446 58.89011 5.499003 1.688362       7.789108 
1 1 1 16  22 5  f 46.71604 4.956182 278.5783       53.13396 230.0924       79.75321 317.2756       71.24935 42.49870 8.051318 50.93338 5.781974 -8.434689      9.912363 
1 1 1 16  22 6  o 38.14508 5.669889 188.5105       50.43728 170.8093       75.20188 202.9832       67.99895 36.33630 8.674411 39.95385 7.303778 -3.617554      11.33978 
1 1 1 16  22 7  o 67.74668 4.005169 576.3020       64.09323 481.5611       96.20118 651.9210       85.94629 62.49357 6.362719 72.99979 4.866348 -10.50622      8.010339 
1 1 1 16  22 8  o 42.56299 5.825211 248.1302       57.27643 143.2127       85.56779 333.2996       77.09531 33.18918 9.903932 51.93680 6.135507 -18.74762      11.65042 
1 1 1 16  22 9  o 49.21345 4.759518 301.4321       56.29457 257.2929       77.78634 349.9742       81.57372 45.35675 7.088579 53.07016 6.353274 -7.713409      9.519036 
1 1 1 16  22 10 o 60.67647 4.263650 461.2935       62.15976 509.3903       86.59811 410.1745       89.27745 64.08279 5.585533 57.27015 6.443342 6.812645       8.527300 
1 1 1 16  22 11 o 23.71992 6.492845 40.09525       56.49185 -13.46112      77.96810 99.28292       81.96474 19.26043 8.511393 28.17941 9.807361 -8.918974      12.98569 
1 1 1 16  22 12 o 31.26442 6.666129 130.5470       56.01690 89.82370       76.35239 178.0193       82.43674 26.74621 9.454085 35.78263 9.400499 -9.036417      13.33226 
1 1 1 16  22 13 o 32.86807 6.638625 150.7937       58.42465 90.07565       81.22001 215.9024       84.10538 26.59023 9.705948 39.14591 9.059798 -12.55568      13.27725 
1 1 1 16  22 14 o 34.98484 6.608348 189.5467       60.72315 247.1696       79.96266 111.0485       93.32960 41.89438 8.182641 28.07529 10.37909 13.81909       13.21670 
1 1 1 16  22 15 o 37.40229 7.049428 226.7692       67.25899 291.1048       95.30861 162.9442       94.92966 43.49704 9.335955 31.30754 10.56493 12.18950       14.09886 
1 1 1 16  24 0  o 154.0793 2.936809 2887.065       109.3947 3045.836       157.5675 2739.321       151.9977 158.1725 4.117498 149.9861 4.188745 8.186447       5.873617 
1 1 1 16  24 1  o 115.3408 2.958241 1620.639       82.51770 1613.012       118.2153 1627.887       115.2369 115.0641 4.246506 115.6175 4.119701 -0.5534439     5.916481 
1 1 1 16  24 2  o 113.5757 2.944468 1562.836       80.67516 1713.276       119.4337 1436.592       109.4082 118.5737 4.163287 108.5776 4.164925 9.996101       5.888935 
1 1 1 16  24 3  o 115.1245 2.953369 1617.126       82.20229 1585.977       117.7494 1646.739       114.8095 114.0219 4.268429 116.2269 4.082900 -2.204994      5.906738 
1 1 1 16  24 4  o 86.77327 3.207259 920.3937       67.09937 920.9514       99.09022 919.9215       91.18730 86.75991 4.720732 86.78663 4.342894 -0.2671814E-01 6.414518 
1 1 1 16  24 5  o 96.71523 3.092498 1136.054       72.11143 1258.619       107.1899 1034.721       97.46437 101.4492 4.367199 91.98128 4.379697 9.467896       6.184996 
1 1 1 16  24 6  o 110.0176 3.000716 1469.730       79.51001 1603.430       119.6030 1363.853       106.4339 114.4435 4.319651 105.5918 4.166271 8.851730       6.001432 
1 1 1 16  24 7  o 52.06518 5.217872 345.5461       64.25405 315.9175       99.25077 366.9235       84.30541 49.87463 8.225302 54.25572 6.422552 -4.381088      10.43574 
1 1 1 16  24 8  o 43.42517 6.381321 251.6311       64.85434 249.3521       91.68500 253.9135       91.75082 43.20887 9.059943 43.64147 8.989020 -0.4326019     12.76264 
1 1 1 16  24 9  o 54.96375 4.798231 382.6039       63.70956 410.3849       90.98735 355.8821       89.23602 56.98795 6.599267 52.93954 6.967191 4.048405       9.596461 
1 1 1 16  24 10 o 81.90222 3.626645 840.3104       71.27692 970.0533       101.5750 714.4490       100.0440 88.33216 4.752975 75.47228 5.479001 12.85988       7.253290 
1 1 1 16  24 11 o 30.07455 7.144809 125.2954       61.39535 121.5867       86.15509 129.1218       87.51311 29.71376 10.06464 30.43535 10.14378 -0.7215843     14.28962 
1 1 1 16  24 12 f 36.32323 7.200280 197.3978       66.31786 168.3170       92.59338 228.0288       95.02927 33.48002 10.36674 39.16645 9.995340 -5.686428      14.40056 
1 1 1 16  24 13 o 38.24399 6.348105 238.1175       65.53695 341.1750       85.76257 93.46948       101.6048 50.09163 7.076693 26.39636 10.54107 23.69527       12.69621 
1 1 1 16  24 14 o 53.00964 5.413474 406.8666       68.54077 411.4145       90.93900 400.8853       104.2892 54.12149 6.945093 51.89780 8.305930 2.223698       10.82695 
1 1 1 16  26 0  o 62.98910 4.030827 486.8575       61.20594 546.4240       90.53389 436.7147       83.06425 66.53173 5.624450 59.44646 5.775451 7.085270       8.061654 
1 1 1 16  26 1  o 69.63637 3.835569 596.6379       64.42525 616.3847       95.47531 580.1298       87.29532 70.65120 5.585592 68.62154 5.258092 2.029655       7.671139 
1 1 1 16  26 2  o 64.35542 4.029730 510.6679       62.55819 533.9219       92.80578 491.3025       84.69128 65.65724 5.842384 63.05359 5.551708 2.603657       8.059461 
1 1 1 16  26 3  o 28.79294 6.174020 99.18777       56.87534 -21.42357      88.87223 182.8495       74.01769 20.35514 9.036508 37.23074 8.415201 -16.87559      12.34804 
1 1 1 16  26 4  o 143.1202 3.008939 2504.852       103.9103 2639.789       153.9257 2391.872       140.8465 146.6067 4.339652 139.6337 4.169207 6.973038       6.017879 
1 1 1 16  26 5  o 109.8194 3.067400 1462.865       80.91621 1711.183       122.7864 1272.241       107.5809 117.9571 4.302527 101.6818 4.373104 16.27537       6.134800 
1 1 1 16  26 6  o 76.44896 3.624738 724.4794       66.87121 744.2592       98.66357 707.6725       90.94733 77.35510 5.271881 75.54282 4.976161 1.812279       7.249476 
1 1 1 16  26 7  o 68.54438 4.082469 593.3331       67.30260 536.3746       96.87039 646.4829       93.57561 65.17927 6.142982 71.90949 5.378660 -6.730225      8.164938 
1 1 1 16  26 8  o 70.45833 8.609951 660.2023       146.7693 660.2023       146.7693 0.000000       0.000000 70.45833 8.609951 ?        ?        ?              ?        
1 1 1 16  26 9  o 25.46309 6.698534 64.88801       60.21311 133.8097       85.42429 -3.168919      84.88666 30.74090 10.01133 20.18527 8.902511 10.55563       13.39707 
1 1 1 16  26 10 o 26.10609 7.179214 83.74377       65.39887 96.28722       89.59865 69.44097       95.67615 26.97341 10.13018 25.23878 10.17565 1.734621       14.35843 
1 1 1 16  26 11 o 35.64850 8.817320 213.0818       94.21962 301.0113       146.7791 151.4575       122.8776 40.56836 13.11639 30.72865 11.78732 9.839708       17.63464 
1 1 1 16  26 12 o 31.22536 8.578214 171.3655       94.97589 270.0773       144.8809 96.97799       125.7698 36.25164 13.00063 26.19908 11.19494 10.05256       17.15643 
1 1 1 16  28 0  o 54.92500 4.959523 388.0145       65.03950 330.4456       94.10442 440.6625       89.99276 50.71581 7.669452 59.13420 6.290230 -8.418385      9.919046 
1 1 1 16  28 1  o 55.22308 4.857621 387.7331       64.12961 467.1755       92.86767 315.3194       88.66422 60.84192 6.308982 49.60423 7.388008 11.23768       9.715241 
1 1 1 16  28 2  o 56.61960 4.835869 412.9738       65.24929 373.4750       97.86415 444.5842       87.54811 53.85959 7.510318 59.37961 6.094066 -5.520020      9.671739 
1 1 1 16  28 3  o 17.58800 5.747035 -50.74644      57.20424 -64.74911      86.44842 -39.83923      76.29721 17.67417 8.242132 17.50183 8.011298 0.1723423      11.49407 
1 1 1 16  28 4  o 22.08020 6.961535 -18.48704      71.27161 24.53302       122.8114 -40.33314      87.51653 25.35640 10.95165 18.80401 8.597284 6.552397       13.92307 
1 1 1 16  28 5  o 19.89980 6.417261 -37.11112      68.52126 -118.7388      119.5886 2.785247       83.60605 19.29218 9.203589 20.50741 8.945327 -1.215235      12.83452 
1 1 1 16  28 6  o 58.42851 7.604780 451.8739       107.5013 0.000000       0.000000 451.8739       107.5013 ?        ?        58.42851 7.604780 ?              ?        
1 1 1 17  1  0  o 361.7313 4.680277 15840.89       409.5200 16053.64       586.2272 15638.10       572.3207 364.1008 6.654907 359.3617 6.582720 4.739105       9.360555 
1 1 1 17  1  1  o 184.5636 2.771538 4113.990       123.6207 3953.076       170.0230 4294.465       180.0608 180.7426 3.888166 188.3845 3.950678 -7.641907      5.543076 
1 1 1 17  1  2  o 300.4747 3.989617 10904.95       289.5904 10531.13       396.5174 11332.26       423.9420 294.9705 5.556246 305.9790 5.726806 -11.00858      7.979234 
1 1 1 17  1  3  o 287.4069 3.845711 9996.564       267.4042 9963.057       376.7985 10030.56       379.5497 286.9219 5.428040 287.8919 5.449253 -0.9699402     7.691422 
1 1 1 17  1  4  o 227.0945 3.206405 6240.255       176.1681 6242.061       249.0959 6238.448       249.1827 227.1274 4.533094 227.0616 4.535988 0.6578064E-01  6.412809 
1 1 1 17  1  5  o 346.8707 4.516101 14498.26       377.7592 15338.72       562.4419 13807.54       509.8814 355.9838 6.530479 337.7575 6.239674 18.22632       9.032203 
1 1 1 17  1  6  o 256.6153 3.519758 7964.958       218.4487 8125.521       313.9844 7814.327       304.1181 259.1198 5.008471 254.1107 4.946715 5.009109       7.039515 
1 1 1 17  1  7  o 494.3315 6.226016 29581.23       744.0002 30347.88       1078.907 28886.12       1027.337 500.4213 8.911399 488.2416 8.697129 12.17969       12.45203 
1 1 1 17  1  8  o 370.2057 5.482772 16902.10       436.1069 17253.49       513.3220 15990.48       826.7998 377.4379 5.621369 362.9735 9.415061 14.46436       10.96554 
1 1 1 17  1  9  o 288.8102 4.500842 9992.851       268.1779 9886.465       306.6234 10339.08       553.1552 285.7343 4.435480 291.8860 7.833059 -6.151733      9.001683 
1 1 1 17  1  10 o 309.4439 4.771745 11479.80       304.4377 11356.07       347.9869 11883.40       628.5010 306.1704 4.697831 312.7174 8.307140 -6.547028      9.543489 
1 1 1 17  1  11 o 328.3577 5.325623 12974.76       393.7845 12761.72       474.7743 13444.38       704.9061 324.3375 6.050450 332.3780 8.765904 -8.040436      10.65125 
1 1 1 17  1  12 o 222.8839 3.952843 6002.051       199.6373 5956.590       242.5392 6097.561       351.5504 221.6921 4.521987 224.0756 6.484712 -2.383499      7.905685 
1 1 1 17  1  13 o 217.2866 3.881056 5733.850       192.0907 5739.351       235.0408 5722.784       333.3396 217.5701 4.465209 217.0030 6.349197 0.5670776      7.762113 
1 1 1 17  1  14 o 230.0629 3.295190 6424.039       183.3717 6328.587       256.0421 6524.550       262.7410 228.3135 4.635297 231.8124 4.684777 -3.498901      6.590381 
1 1 1 17  1  15 o 63.95736 2.795072 496.7569       43.24228 483.9386       60.87465 509.8130       61.43686 63.12245 3.986119 64.79227 3.919254 -1.669827      5.590143 
1 1 1 17  1  16 o 113.5691 2.459241 1567.157       67.55394 1525.569       94.32664 1610.949       96.79247 112.0226 3.480377 115.1155 3.475405 -3.092857      4.918482 
1 1 1 17  1  17 o 36.21104 4.593822 176.3104       38.81212 306.4940       55.98177 55.82085       53.85712 50.01727 4.626200 22.40480 7.937952 27.61247       9.187644 
1 1 1 17  1  18 o 53.69993 3.571688 356.2285       46.39852 353.6905       65.94043 358.7173       65.29910 53.50093 5.094342 53.89893 5.007543 -0.3980026     7.143375 
1 1 1 17  1  19 o 54.50671 3.707844 370.9725       48.89480 374.0822       69.16894 367.8667       69.12645 54.74183 5.222633 54.27158 5.264649 0.4702415      7.415688 
1 1 1 17  1  20 o 26.98075 6.154486 96.65166       48.37975 140.1868       67.93430 51.85077       68.91484 31.55518 8.643621 22.40631 8.763482 9.148872       12.30897 
1 1 1 17  3  0  o 351.2948 4.569066 14928.03       388.0400 14607.38       536.4462 15279.93       561.9873 347.3455 6.383550 355.2442 6.538787 -7.898712      9.138132 
1 1 1 17  3  1  o 700.5430 10.00824 59828.56       1477.373 60072.79       1713.039 59119.57       2918.676 704.0114 10.05739 697.0745 17.30630 6.936951       20.01647 
1 1 1 17  3  2  o 664.5392 9.474766 54063.61       1337.920 54604.26       1560.563 52563.95       2599.093 671.3443 9.608012 657.7341 16.33312 13.61017       18.94953 
1 1 1 17  3  3  o 810.2938 11.47807 80519.48       1980.849 81434.45       2314.334 78013.09       3830.436 819.7034 11.66990 800.8842 19.76861 18.81921       22.95614 
1 1 1 17  3  4  o 486.8668 7.125246 28383.97       714.5455 28092.03       816.4177 29339.68       1477.176 481.7442 7.004765 491.9894 12.41007 -10.24515      14.25049 
1 1 1 17  3  5  o 544.6655 7.956747 35225.74       881.0997 34631.22       999.4659 37299.23       1866.530 534.8237 7.724226 554.5073 13.91315 -19.68359      15.91349 
1 1 1 17  3  6  o 306.8443 4.719498 11284.93       299.4812 11181.36       342.8856 11618.08       614.9788 303.9675 4.662511 309.7211 8.207048 -5.753662      9.438996 
1 1 1 17  3  7  o 282.6410 4.400646 9715.419       261.4935 9758.767       302.8256 9588.341       518.4982 283.9566 4.407967 281.3255 7.617910 2.631104       8.801291 
1 1 1 17  3  8  o 165.2156 3.065293 3388.884       107.4673 3485.914       125.8692 3127.900       206.4301 169.7223 3.065339 160.7090 5.309217 9.013229       6.130586 
1 1 1 17  3  9  o 333.2859 5.097763 13225.20       346.8805 13015.21       394.3012 13944.08       729.5614 327.7903 4.971984 338.7817 8.901017 -10.99142      10.19553 
1 1 1 17  3  10 o 126.4368 2.798020 1793.139       69.22509 1702.512       76.82484 2184.414       159.6302 118.6050 2.677296 134.2685 4.914037 -15.66355      5.596041 
1 1 1 17  3  11 o 233.0853 4.680583 6594.367       263.9305 6680.547       375.7190 6510.411       370.8369 234.5884 6.619944 231.5821 6.618745 3.006302       9.361167 
1 1 1 17  3  12 o 146.5600 2.994625 2624.697       90.94647 2645.585       104.6780 2560.381       183.6834 147.8248 2.926887 145.2951 5.225365 2.529678       5.989249 
1 1 1 17  3  13 o 113.2909 2.879664 1572.674       66.52531 1587.583       76.05136 1524.093       137.2820 114.5081 2.745166 112.0737 5.062995 2.434395       5.759328 
1 1 1 17  3  14 o 52.41515 3.930223 332.3017       38.52462 331.2165       42.59457 337.1803       90.31010 52.27297 3.368021 52.55734 7.102326 -0.2843704     7.860446 
1 1 1 17  3  15 f 100.6434 3.008973 1242.448       60.80534 1251.494       69.04420 1211.184       128.3557 101.6053 2.808722 99.68149 5.322289 1.923775       6.017947 
1 1 1 17  3  16 o 34.57769 5.279526 210.4109       38.17311 248.8901       42.01060 28.18560       91.42191 45.21608 3.840286 23.93930 9.835942 21.27678       10.55905 
1 1 1 17  3  17 o 19.45041 5.061676 23.07555       36.06059 73.93186       50.06847 -31.73808      51.97999 24.34089 7.637374 14.55994 6.644755 9.780947       10.12335 
1 1 1 17  3  18 o 35.94070 5.218916 168.9542       43.86303 179.5309       62.10371 158.4264       61.95993 37.15364 7.168704 34.72776 7.586702 2.425873       10.43783 
1 1 1 17  3  19 o 20.83158 5.795004 38.04073       43.04598 27.09785       62.83076 47.72050       59.09340 20.08841 8.192307 21.57476 8.198439 -1.486353      11.59001 
1 1 1 17  3  20 f 31.09098 6.288604 138.0486       51.23742 98.66228       74.09962 174.1332       70.92585 26.96882 9.328405 35.21313 8.436054 -8.244303      12.57721 
1 1 1 17  5  0  o 388.0359 4.986706 18229.69       468.1526 18263.49       662.7441 18196.03       661.3934 388.3949 7.052937 387.6770 7.051597 0.7179565      9.973412 
1 1 1 17  5  1  o 144.6705 2.452923 2530.480       85.82223 2465.883       119.3799 2599.573       123.4651 142.7611 3.456359 146.5798 3.481510 -3.818710      4.905847 
1 1 1 17  5  2  o 513.8817 6.454750 31878.91       800.4788 33367.74       1183.771 30624.55       1086.561 524.8885 9.321772 502.8748 8.930833 22.01364       12.90950 
1 1 1 17  5  3  o 168.0741 2.666999 3404.876       108.2095 3227.156       147.1675 3614.040       159.6571 163.3182 3.724560 172.8300 3.818270 -9.511795      5.333999 
1 1 1 17  5  4  o 565.0580 7.057221 38663.44       964.4927 38127.36       1344.365 39232.02       1384.519 561.0293 9.904424 569.0866 10.05584 -8.057312      14.11444 
1 1 1 17  5  5  o 683.5497 8.470258 56625.75       1400.272 55788.03       1949.146 57519.23       2012.963 678.3408 11.87666 688.7587 12.07999 -10.41797      16.94052 
1 1 1 17  5  6  o 65.16482 2.775839 499.8932       37.23154 487.8648       42.38728 540.5116       77.89215 63.50089 2.759011 66.82874 4.817571 -3.327854      5.551678 
1 1 1 17  5  7  o 304.6653 4.715078 11110.97       295.8239 10992.25       337.9346 11500.30       611.9379 301.3384 4.635279 307.9922 8.212309 -6.653870      9.430156 
1 1 1 17  5  8  o 93.67931 2.572659 1061.928       58.30801 1061.928       58.30801 0.000000       0.000000 93.67931 2.572659 ?        ?        ?              ?        
1 1 1 17  5  9  o 193.5940 3.593648 4598.368       159.4479 4728.236       197.7345 4356.931       269.6081 197.6021 4.136076 189.5859 5.877932 8.016159       7.187295 
1 1 1 17  5  10 o 223.5051 3.707434 6160.546       176.2669 6281.669       206.2350 5832.243       339.5367 227.7617 3.742652 219.2484 6.401001 8.513214       7.414868 
1 1 1 17  5  11 o 277.2413 4.394114 9177.470       249.5496 9048.022       284.2013 9613.325       521.4965 273.2762 4.298549 281.2063 7.665209 -7.930115      8.788228 
1 1 1 17  5  12 o 57.33943 3.755216 413.2591       39.43367 421.3434       43.59977 376.9185       92.44003 58.99012 3.054940 55.68874 6.861045 3.301380       7.510433 
1 1 1 17  5  13 o 301.7722 4.758718 10792.08       289.7035 10565.23       327.3293 11612.14       622.3602 295.1239 4.584354 308.4205 8.340581 -13.29660      9.517436 
1 1 1 17  5  14 f 107.0789 3.029709 1380.956       63.45933 1373.244       71.12375 1411.065       140.5320 106.4655 2.761236 107.6924 5.393712 -1.226921      6.059418 
1 1 1 17  5  15 o 133.1915 3.092423 2135.427       82.46288 2117.604       93.16904 2199.881       177.1786 132.1370 2.914371 134.2460 5.455159 -2.109039      6.184846 
1 1 1 17  5  16 o 151.5953 3.195905 2770.348       97.43954 2741.483       110.2574 2873.290       208.2186 150.2147 3.033844 152.9760 5.625924 -2.761368      6.391809 
1 1 1 17  5  17 o 27.54411 6.558432 74.36756       39.31605 65.36250       42.42782 129.0898       104.5898 22.82388 7.009218 32.26434 11.08706 -9.440454      13.11686 
1 1 1 17  5  18 o 50.13037 5.526477 338.1970       47.49369 345.0125       52.23038 305.6514       114.1358 52.99988 4.073296 47.26086 10.27502 5.739017       11.05295 
1 1 1 17  5  19 o 19.58219 5.686809 24.01909       43.20086 21.77966       61.20769 26.24215       60.98342 19.41031 8.019487 19.75406 8.065173 -0.3437481     11.37362 
1 1 1 17  5  20 o 30.35825 6.531515 132.2742       52.06054 141.4302       77.67243 124.8057       70.15031 31.18116 9.465756 29.53535 9.002344 1.645815       13.06303 
1 1 1 17  7  0  o 131.4851 3.479102 2091.679       110.6741 0.000000       0.000000 2091.679       110.6741 ?        ?        131.4851 3.479102 ?              ?        
1 1 1 17  7  1  o 614.7994 7.655519 45789.98       1138.626 46073.37       1621.505 45514.33       1599.247 616.6722 10.86830 612.9268 10.78461 3.745422       15.31104 
1 1 1 17  7  2  o 863.3406 10.64156 90181.41       2217.576 86933.60       3015.266 94007.67       3272.791 846.5131 14.72277 880.1682 15.36916 -33.65503      21.28312 
1 1 1 17  7  3  o 438.6415 5.583780 23287.52       592.4102 22955.18       826.2313 23639.14       849.8572 435.4245 7.843076 441.8584 7.949879 -6.433929      11.16756 
1 1 1 17  7  4  o 225.6907 3.237852 6163.362       176.7880 6123.483       248.5664 6204.185       251.4913 224.9522 4.567199 226.4292 4.590798 -1.477066      6.475703 
1 1 1 17  7  5  o 671.2594 10.19220 54973.60       1571.998 53944.08       2668.345 55520.86       1945.447 665.9868 16.56053 676.5320 11.88581 -10.54529      20.38439 
1 1 1 17  7  6  o 27.28979 4.625646 99.40149       32.71655 37.29923       51.87019 140.4303       42.16077 20.52123 7.707572 34.05836 5.116613 -13.53712      9.251291 
1 1 1 17  7  7  o 224.8648 3.967925 6072.943       201.1057 5983.997       242.7228 6267.698       359.1631 222.3149 4.512733 227.4147 6.527860 -5.099762      7.935851 
1 1 1 17  7  8  o 173.1043 2.739121 3627.071       114.7031 3570.263       160.8324 3685.875       163.6332 171.7253 3.871122 174.4833 3.876281 -2.758041      5.478243 
1 1 1 17  7  9  o 271.3038 4.314300 8870.770       242.2085 8819.534       277.6495 9033.908       495.4397 269.8497 4.252778 272.7580 7.507771 -2.908325      8.628600 
1 1 1 17  7  10 o 160.1888 3.127033 3004.130       100.5169 2925.471       113.1711 3298.037       218.7601 155.4558 3.009029 164.9217 5.482617 -9.465927      6.254066 
1 1 1 17  7  11 o 210.2237 3.636771 5270.118       155.9229 5195.637       177.2244 5525.283       328.0280 207.1255 3.536614 213.3219 6.355845 -6.196411      7.273541 
1 1 1 17  7  12 o 261.4068 4.267139 8028.603       223.5472 7825.483       251.6458 8788.816       486.8348 254.1062 4.093285 268.7073 7.488586 -14.60109      8.534278 
1 1 1 17  7  13 o 158.7589 3.260402 2912.332       100.9562 2817.381       112.3338 3311.124       230.2147 152.5010 3.044637 165.0167 5.766375 -12.51569      6.520804 
1 1 1 17  7  14 o 172.2785 3.342257 3588.364       116.7048 3571.382       132.6231 3646.639       245.6828 171.6209 3.194086 172.9360 5.872013 -1.315063      6.684513 
1 1 1 17  7  15 o 157.8963 3.261653 2964.973       102.2349 2910.948       114.8753 3170.732       224.1837 154.8604 3.066084 160.9321 5.757833 -6.071716      6.523306 
1 1 1 17  7  16 o 94.47316 3.175118 1051.975       57.98783 1026.855       64.47850 1158.239       132.6168 91.92591 2.899177 97.02040 5.649803 -5.094490      6.350236 
1 1 1 17  7  17 o 52.53121 4.327637 295.9944       43.77815 269.2352       48.04507 426.8888       106.2607 46.86763 4.237147 58.19479 7.547208 -11.32716      8.655273 
1 1 1 17  7  18 o 19.78522 6.168719 -7.166776      42.48304 -14.84753      46.27650 34.00357       107.1398 14.54950 6.486206 25.02094 10.49483 -10.47144      12.33744 
1 1 1 17  7  19 o 50.39539 5.246735 281.0837       51.93528 249.2097       57.27352 428.5544       123.1937 44.49140 5.320782 56.29938 9.044456 -11.80798      10.49347 
1 1 1 17  7  20 o 25.48358 7.040317 77.73168       53.81340 78.11831       59.52596 76.00238       125.8900 24.08583 8.359203 26.88133 11.33084 -2.795502      14.08063 
1 1 1 17  9  0  o 422.9797 5.405053 21654.98       553.0106 21391.19       772.7141 21931.94       791.7847 420.3419 7.598254 425.6175 7.689274 -5.275574      10.81011 
1 1 1 17  9  1  o 332.6715 5.347209 13510.96       410.9485 13016.06       686.3994 13787.46       513.0621 327.8396 8.653927 337.5035 6.283322 -9.663910      10.69442 
1 1 1 17  9  2  o 535.8136 8.317441 34172.75       990.9381 33242.05       1179.415 36406.90       1827.338 523.8531 9.305825 547.7741 13.78843 -23.92096      16.63488 
1 1 1 17  9  3  o 884.4814 10.90616 95038.59       2333.682 94507.23       3280.969 95582.68       3320.026 881.9912 15.37572 886.9717 15.47140 -4.980469      21.81231 
1 1 1 17  9  4  o 95.79720 2.424066 1109.018       56.14414 1071.041       77.68340 1150.548       81.23526 94.08254 3.412848 97.51186 3.443379 -3.429314      4.848133 
1 1 1 17  9  5  o 331.7590 4.383437 13330.86       351.8342 13372.29       497.5606 13289.42       497.5768 332.2752 6.189361 331.2427 6.208855 1.032440       8.766873 
1 1 1 17  9  6  o 395.8251 5.098650 18995.92       488.2634 18938.11       688.2199 19054.51       692.8206 395.2204 7.197565 396.4299 7.223573 -1.209534      10.19730 
1 1 1 17  9  7  o 268.1545 3.678376 8709.748       238.6136 8811.604       340.5732 8611.544       334.4122 269.6927 5.219621 266.6162 5.184337 3.076508       7.356751 
1 1 1 17  9  8  o 466.0016 5.937749 26354.88       668.7974 27177.57       972.0554 25615.37       921.6045 472.8723 8.496593 459.1308 8.296709 13.74158       11.87550 
1 1 1 17  9  9  o 125.3783 2.474036 1903.390       75.03843 1940.152       106.3392 1866.928       105.9029 126.5850 3.472233 124.1716 3.525197 2.413429       4.948071 
1 1 1 17  9  10 o 169.0910 2.743053 3462.792       112.2090 3516.317       159.6485 3410.536       157.7435 170.3825 3.872910 167.7995 3.885606 2.583084       5.486106 
1 1 1 17  9  11 o 331.0960 5.067690 13459.35       355.1232 13599.99       413.4437 13063.65       693.4963 334.8533 5.103397 327.3386 8.756784 7.514709       10.13538 
1 1 1 17  9  12 o 196.8000 3.584314 4435.968       138.0778 4263.407       153.6287 5161.214       314.9521 187.5905 3.385004 206.0095 6.319096 -18.41898      7.168627 
1 1 1 17  9  13 o 91.77965 3.443742 1007.286       57.32140 999.0190       62.77232 1048.781       140.6338 90.80366 2.857344 92.75563 6.266819 -1.951973      6.887484 
1 1 1 17  9  14 o 150.3866 3.259569 2663.489       96.20735 2602.597       107.5306 2907.793       215.3865 146.4817 3.034215 154.2914 5.769982 -7.809647      6.519138 
1 1 1 17  9  15 o 95.58833 3.310176 1030.993       59.15772 985.9513       64.82798 1255.205       144.6394 90.10166 2.973907 101.0750 5.914807 -10.97335      6.620352 
1 1 1 17  9  16 o 50.44586 5.801202 413.1695       45.60176 453.7058       50.02084 213.6824       110.9650 61.02369 3.388054 39.86803 11.09671 21.15566       11.60240 
1 1 1 17  9  17 o 78.74879 3.903234 801.2114       57.72368 821.7794       64.47522 718.1440       129.5722 82.05321 3.247843 75.44437 7.098763 6.608833       7.806467 
1 1 1 17  9  18 o 29.54671 6.995725 89.50222       45.28321 75.23988       49.04500 171.9215       117.9000 24.09933 7.558477 34.99408 11.77413 -10.89475      13.99145 
1 1 1 17  9  19 o 26.55971 7.133936 70.32674       49.14580 58.84483       53.48898 132.5402       124.5087 22.00173 7.898388 31.11769 11.88224 -9.115963      14.26787 
1 1 1 17  9  20 o 30.78205 8.208505 154.8414       83.73833 171.5645       103.4284 123.0220       142.6679 32.39981 11.02725 29.16429 12.16215 3.235525       16.41701 
1 1 1 17  11 0  o 598.7175 7.486642 43109.69       1077.421 46391.23       1639.670 40616.16       1429.307 618.5640 10.95644 578.8710 10.20567 39.69293       14.97328 
1 1 1 17  11 1  f 637.6016 7.942162 49206.30       1223.099 47631.27       1672.455 51017.20       1793.309 626.6863 11.03067 648.5168 11.42961 -21.83051      15.88432 
1 1 1 17  11 2  o 160.9513 2.747504 3133.719       106.9655 3075.504       149.4132 3194.924       153.2019 159.4187 3.873892 162.4839 3.897188 -3.065247      5.495008 
1 1 1 17  11 3  o 486.4590 6.163672 28581.45       723.1240 27352.13       977.0081 30070.71       1075.355 474.9657 8.502245 497.9524 8.926100 -22.98666      12.32734 
1 1 1 17  11 4  o 309.2924 4.138859 11581.21       309.5704 11375.69       430.1282 11802.08       445.8948 306.4510 5.801424 312.1339 5.904583 -5.682892      8.277718 
1 1 1 17  11 5  o 106.7775 3.506374 1380.041       90.58166 1380.041       90.58166 0.000000       0.000000 106.7775 3.506374 ?        ?        ?              ?        
1 1 1 17  11 6  o 115.5237 2.505862 1615.578       70.03507 1633.681       99.18982 1597.580       98.89990 116.1694 3.529173 114.8780 3.558416 1.291443       5.011725 
1 1 1 17  11 7  o 170.7790 2.795599 3529.550       115.4655 3449.221       160.6528 3615.385       166.0676 168.7712 3.934483 172.7868 3.972574 -4.015656      5.591198 
1 1 1 17  11 8  o 199.2347 5.990006 4814.991       288.7317 4814.991       288.7317 0.000000       0.000000 199.2347 5.990006 ?        ?        ?              ?        
1 1 1 17  11 9  o 162.6669 2.734121 3205.127       107.5980 3221.176       151.7830 3188.916       152.5529 163.0773 3.847045 162.2565 3.886118 0.8207703      5.468242 
1 1 1 17  11 10 o 240.6290 3.439128 6984.416       199.5447 7459.703       297.4545 6595.501       269.0728 248.0227 4.957089 233.2354 4.768404 14.78737       6.878256 
1 1 1 17  11 11 f 367.2173 4.805338 16391.02       426.6032 16020.41       589.6982 16797.93       617.9058 362.8912 6.716625 371.5435 6.874012 -8.652313      9.610676 
1 1 1 17  11 12 o 112.0355 2.572326 1522.904       69.67950 1576.945       98.17993 1468.058       98.90746 114.0451 3.558311 110.0259 3.715624 4.019142       5.144651 
1 1 1 17  11 13 o 176.1567 3.497581 3791.410       124.3001 3803.100       141.2716 3751.339       261.5625 177.0641 3.297784 175.2494 6.169027 1.814682       6.995161 
1 1 1 17  11 14 o 157.9921 3.364819 3080.918       108.0540 3111.192       123.4226 2981.559       223.5962 160.0546 3.187311 155.9297 5.926978 4.124878       6.729637 
1 1 1 17  11 15 o 35.51175 6.216024 181.2312       42.72214 193.1281       46.11315 109.1493       113.5065 39.70279 4.800666 31.32071 11.46776 8.382071       12.43205 
1 1 1 17  11 16 o 95.31724 3.719561 1110.725       64.07938 1105.166       70.22764 1138.370       156.6033 95.25269 3.047393 95.38178 6.786304 -0.1290894     7.439121 
1 1 1 17  11 17 o 68.55901 4.512696 591.0607       53.81025 590.6404       58.56743 593.3373       136.3032 69.44462 3.485903 67.67339 8.325033 1.771233       9.025392 
1 1 1 17  11 18 o 32.78429 5.669372 189.9864       50.33367 239.4398       55.32200 -47.73349      121.2921 43.65543 5.237902 21.91317 10.05641 21.74226       11.33874 
1 1 1 17  11 19 o 34.74904 5.582413 229.6770       53.93056 295.8003       59.98618 -49.11362      123.1723 48.17661 5.146508 21.32147 9.907915 26.85514       11.16483 
1 1 1 17  11 20 o 36.37375 8.710043 255.4522       90.09905 258.8935       106.0440 246.5199       170.8472 38.85649 10.85948 33.89101 13.62098 4.965485       17.42009 
1 1 1 17  13 0  o 149.6658 2.708663 2711.278       98.07494 2720.098       138.1395 2702.314       139.2651 149.9117 3.808729 149.4199 3.852401 0.4918213      5.417325 
1 1 1 17  13 1  o 28.54028 5.516753 101.6082       39.18866 109.6979       56.76070 94.23958       54.17214 29.55370 7.817810 27.52687 7.785891 2.026831       11.03351 
1 1 1 17  13 2  o 303.0798 5.769537 11128.81       423.0584 11128.81       423.0584 0.000000       0.000000 303.0798 5.769537 ?        ?        ?              ?        
1 1 1 17  13 3  o 70.21803 2.874061 599.4548       48.61639 547.9279       69.77994 648.0588       67.77194 67.27013 4.287518 73.16593 3.828588 -5.895798      5.748121 
1 1 1 17  13 4  o 228.6982 3.318787 6323.990       183.4374 6571.536       267.0195 6102.750       252.4337 232.9263 4.738295 224.4701 4.648220 8.456284       6.637574 
1 1 1 17  13 5  o 361.6227 4.732384 15863.52       414.0118 15745.68       581.6964 15984.50       589.3816 360.2647 6.673786 362.9807 6.711364 -2.715942      9.464767 
1 1 1 17  13 6  o 145.4764 2.678196 2562.745       94.26186 2556.344       133.1066 2569.184       133.5071 145.2943 3.786594 145.6586 3.788488 -0.3643646     5.356392 
1 1 1 17  13 7  o 104.3940 2.599589 1319.289       65.64437 1285.365       91.91916 1354.600       93.77911 103.0245 3.687764 105.7635 3.664949 -2.738968      5.199178 
1 1 1 17  13 8  o 217.8542 3.225977 5749.858       170.0002 5858.973       243.2684 5645.714       237.6627 219.8725 4.573118 215.8358 4.551298 4.036728       6.451954 
1 1 1 17  13 9  o 89.87306 2.708404 978.6836       58.88087 969.2617       83.77442 987.8819       82.77483 89.44408 3.871306 90.30204 3.788771 -0.8579559     5.416807 
1 1 1 17  13 10 o 64.08279 3.208809 498.7333       49.32652 586.1400       70.98814 417.1322       68.59010 69.53041 4.219964 58.63516 4.835051 10.89525       6.417617 
1 1 1 17  13 11 o 129.7713 2.675065 2043.010       83.94520 2118.619       118.7518 1967.490       118.6811 132.1780 3.713462 127.3646 3.851505 4.813377       5.350130 
1 1 1 17  13 12 o 138.4714 2.665727 2327.191       89.26884 2420.127       127.1006 2236.715       125.4068 141.2055 3.720435 135.7372 3.818738 5.468338       5.331454 
1 1 1 17  13 13 o 78.32954 2.830615 746.5667       53.55859 692.3407       75.07215 802.7760       76.43275 75.41991 4.114248 81.23917 3.888765 -5.819260      5.661231 
1 1 1 17  13 14 o 104.7351 2.709743 1336.752       68.65044 1373.230       97.83519 1301.370       96.35450 106.1470 3.809649 103.3233 3.854531 2.823746       5.419487 
1 1 1 17  13 15 o 26.99514 6.985802 78.51660       44.20329 82.24783       46.69605 46.34147       137.1244 25.29735 7.253858 28.69292 11.94099 -3.395571      13.97160 
1 1 1 17  13 16 o 35.51514 6.265882 205.9609       47.05809 229.9935       50.63170 53.51576       127.5201 43.13394 4.851780 27.89634 11.55445 15.23760       12.53176 
1 1 1 17  13 17 o 54.23000 4.795663 304.8996       50.64338 263.1215       55.49133 513.1470       123.8911 45.92107 4.994716 62.53892 8.188183 -16.61785      9.591326 
1 1 1 17  13 18 o 27.48965 6.615137 110.5673       51.65422 130.9804       56.14711 -1.885782      131.7827 30.82800 7.580840 24.15130 10.84302 6.676697       13.23027 
1 1 1 17  13 19 o 23.55693 6.702295 68.71264       56.06730 91.60471       60.30219 -77.31113      152.3008 25.21764 8.420828 21.89623 10.42941 3.321413       13.40459 
1 1 1 17  15 0  o 411.0268 5.302299 20502.18       527.2406 20350.63       740.5613 20657.96       750.8058 409.4908 7.475059 412.5627 7.522035 -3.071960      10.60460 
1 1 1 17  15 1  o 246.2116 3.506397 7343.389       208.8497 7393.806       297.7033 7294.530       293.0675 247.0420 4.980931 245.3812 4.936557 1.660843       7.012793 
1 1 1 17  15 2  o 379.5482 4.946200 17481.21       454.1932 17448.44       641.9470 17514.05       642.7059 379.1917 6.997422 379.9048 6.992545 -0.7130432     9.892401 
1 1 1 17  15 3  o 398.6959 5.172505 19281.44       498.5429 18861.83       688.8264 19743.04       722.4683 394.1631 7.223231 403.2286 7.405684 -9.065460      10.34501 
1 1 1 17  15 4  o 161.4066 2.804450 3154.988       109.5114 3177.930       155.5699 3132.451       154.1844 161.9881 3.969541 160.8251 3.962637 1.162964       5.608899 
1 1 1 17  15 5  o 37.28965 5.393346 175.6241       46.98869 188.6152       65.56768 161.9077       67.37320 38.78389 7.254415 35.79540 7.982868 2.988495       10.78669 
1 1 1 17  15 6  o 198.6843 3.093091 4777.738       148.5948 4954.437       214.5967 4614.977       205.9589 202.2085 4.386532 195.1601 4.362014 7.048386       6.186181 
1 1 1 17  15 7  o 130.2573 2.695819 2053.879       84.92108 2004.952       118.0372 2106.377       122.2675 128.6513 3.792298 131.8633 3.832523 -3.211975      5.391638 
1 1 1 17  15 8  o 219.2966 3.279043 5829.197       173.9395 5950.704       248.9184 5713.249       243.1579 221.5282 4.644358 217.0649 4.630166 4.463318       6.558086 
1 1 1 17  15 9  o 225.7775 3.338746 6185.507       182.3735 6221.094       258.0223 6149.979       257.8080 226.4281 4.710040 225.1268 4.733331 1.301331       6.677492 
1 1 1 17  15 10 o 256.8427 3.639288 8013.019       226.0057 7830.145       313.0215 8212.170       326.6548 253.7962 5.097846 259.8893 5.195154 -6.093033      7.278575 
1 1 1 17  15 11 o 110.8448 2.689077 1492.288       72.06448 1559.824       102.1070 1425.259       101.7232 113.3530 3.723234 108.3367 3.880988 5.016296       5.378153 
1 1 1 17  15 12 o 23.58378 5.504860 49.91213       41.54585 116.3210       60.82327 -8.172795      56.88379 30.13426 8.147436 17.03330 7.404945 13.10096       11.00972 
1 1 1 17  15 13 o 134.3775 2.769955 2200.171       90.02174 2255.141       129.4318 2148.664       125.2892 135.9978 3.933750 132.7571 3.900797 3.240677       5.539910 
1 1 1 17  15 14 o 22.02379 5.719930 48.58133       41.29361 20.51505       61.52753 71.58453       55.70204 19.74582 8.085924 24.30175 8.092481 -4.555935      11.43986 
1 1 1 17  15 15 o 82.65332 3.038678 839.6599       60.75195 860.7979       86.88550 819.4395       84.97868 83.67236 4.292032 81.63428 4.302641 2.038086       6.077356 
1 1 1 17  15 16 o 118.6868 3.757807 1769.193       98.27916 1781.376       117.3827 1740.631       179.7307 120.1900 4.036762 117.1835 6.339479 3.006531       7.515614 
1 1 1 17  15 17 o 56.34165 6.364753 343.2386       58.86119 309.1887       62.69777 596.1927       170.8895 49.47169 5.238332 63.21161 11.60173 -13.73992      12.72951 
1 1 1 17  15 18 f 26.07526 7.870561 48.54702       55.61523 35.18098       58.52304 173.1113       178.6579 19.62757 7.942543 32.52295 13.59040 -12.89537      15.74112 
1 1 1 17  17 0  o 224.9402 3.340525 6131.137       181.7931 6094.916       256.2422 6167.844       257.9547 224.2714 4.722528 225.6089 4.725904 -1.337494      6.681050 
1 1 1 17  17 1  o 174.0663 2.936647 3667.363       123.6107 3759.690       178.2586 3581.846       171.5577 176.1733 4.182233 171.9594 4.123652 4.213928       5.873293 
1 1 1 17  17 2  o 438.1508 5.628039 23335.32       596.4347 23671.95       855.6883 23017.22       831.7914 441.2068 8.016246 435.0947 7.901841 6.112091       11.25608 
1 1 1 17  17 3  o 143.8211 3.930383 2505.486       136.7603 0.000000       0.000000 2505.486       136.7603 ?        ?        143.8211 3.930383 ?              ?        
1 1 1 17  17 4  o 231.2304 3.391805 6478.934       189.7024 6597.846       271.9742 6366.270       264.7317 233.2936 4.818619 229.1673 4.774755 4.126312       6.783611 
1 1 1 17  17 5  o 179.1238 2.981261 3886.307       129.1624 3964.768       185.3426 3812.224       180.0968 180.8793 4.235301 177.3683 4.196890 3.510971       5.962522 
1 1 1 17  17 6  o 197.5384 3.127424 4724.887       149.3754 4927.744       215.5356 4537.402       207.2079 201.6137 4.418721 193.4630 4.426965 8.150696       6.254847 
1 1 1 17  17 7  o 121.1598 2.796242 1779.616       81.92342 1785.816       114.1344 1773.028       117.6605 121.3817 3.886521 120.9379 4.021297 0.4437943      5.592484 
1 1 1 17  17 8  o 196.9619 3.114994 4703.870       148.3682 4878.052       213.5676 4541.387       206.2714 200.4832 4.403065 193.4406 4.407468 7.042603       6.229988 
1 1 1 17  17 9  o 177.8144 2.981189 3837.028       128.1922 4002.230       183.6917 3680.189       178.9824 181.5484 4.182104 174.0803 4.249701 7.468063       5.962378 
1 1 1 17  17 10 f 20.68469 5.812673 24.19176       44.00794 49.37212       65.44269 3.404966       59.45985 23.04323 8.656920 18.32615 7.759276 4.717087       11.62535 
1 1 1 17  17 11 o 34.95822 5.648431 157.6329       46.72962 163.9992       65.21696 150.9158       66.99004 35.72425 7.767086 34.19219 8.203137 1.532063       11.29686 
1 1 1 17  17 12 o 50.81712 4.091492 320.0190       49.96746 293.2585       72.85551 343.7863       68.66028 48.73520 6.178989 52.89904 5.364824 -4.163845      8.182984 
1 1 1 17  17 13 f 141.3698 2.824494 2431.208       96.33001 2688.265       141.9678 2211.874       131.1382 148.2722 3.957563 134.4673 4.030975 13.80489       5.648988 
1 1 1 17  17 14 o 23.39471 5.938557 41.66427       49.24467 -31.29314      69.44607 115.4529       69.84057 17.19132 7.780571 29.59810 8.973771 -12.40678      11.87711 
1 1 1 17  17 15 o 70.10938 3.523120 614.7409       59.47231 663.6693       82.71633 562.3792       85.56929 73.12978 4.675141 67.08899 5.271866 6.040787       7.046241 
1 1 1 17  17 16 o 27.33912 6.637925 100.2299       53.06683 105.9934       75.19594 94.51157       74.90060 27.91086 9.402998 26.76736 9.371864 1.143499       13.27585 
1 1 1 17  17 17 o 30.56768 6.575028 134.1291       54.45812 187.9801       81.49456 90.67989       73.20195 35.47467 9.359634 25.66070 9.236950 9.813972       13.15006 
1 1 1 17  17 18 o 35.91805 8.406637 205.5620       67.18410 186.9579       71.98991 331.1124       187.0145 34.81298 8.598080 37.02311 14.44850 -2.210121      16.81327 
1 1 1 17  19 0  f 143.7487 2.844894 2503.678       98.93723 2523.785       139.8460 2483.530       139.9908 144.3276 4.004962 143.1699 4.041529 1.157715       5.689787 
1 1 1 17  19 1  o 388.1748 5.070497 18318.81       476.1341 18153.70       667.2276 18490.13       679.6550 386.4021 7.137270 389.9475 7.204105 -3.545380      10.14099 
1 1 1 17  19 2  o 216.0542 3.293696 5651.946       172.0204 5480.672       237.3666 5841.398       249.6447 212.6161 4.614462 219.4923 4.701113 -6.876221      6.587391 
1 1 1 17  19 3  o 177.9086 3.005648 3835.146       129.3452 3934.098       184.9329 3740.385       180.9749 180.1549 4.242929 175.6622 4.258313 4.492645       6.011295 
1 1 1 17  19 4  o 160.0908 2.926121 3105.073       113.2944 3219.054       162.3259 2996.813       158.1987 162.9554 4.117342 157.2263 4.158873 5.729111       5.852241 
1 1 1 17  19 5  o 133.0215 2.825813 2145.366       90.93256 2190.004       129.0764 2101.383       128.1249 134.3972 3.969669 131.6458 4.022761 2.751404       5.651626 
1 1 1 17  19 6  o 66.13979 3.564704 531.3908       56.89594 583.9675       81.59425 481.6321       79.37756 69.33331 4.864244 62.94625 5.212254 6.387058       7.129407 
1 1 1 17  19 7  o 31.63848 6.164436 127.1943       48.79749 137.1428       67.24619 116.1290       70.92046 32.80410 8.428003 30.47287 8.998325 2.331226       12.32887 
1 1 1 17  19 8  o 128.4935 2.798549 2006.018       86.99278 2024.838       122.6809 1986.985       123.3748 129.1039 3.927672 127.8831 3.987594 1.220772       5.597099 
1 1 1 17  19 9  o 85.26081 3.133655 884.1054       64.55624 856.5221       88.60068 915.3210       94.25399 83.85448 4.367254 86.66714 4.495137 -2.812668      6.267310 
1 1 1 17  19 10 o 117.2268 2.824411 1672.859       80.05022 1596.765       111.0638 1755.126       115.4816 114.4523 4.010936 120.0012 3.977634 -5.548882      5.648821 
1 1 1 17  19 11 o 109.8121 2.927950 1471.168       77.67248 1589.064       112.2275 1362.776       107.6090 114.0470 4.067362 105.5771 4.212853 8.469925       5.855900 
1 1 1 17  19 12 o 111.5542 2.916298 1526.809       78.49813 1658.444       111.2402 1396.243       110.7875 116.4089 3.949784 106.6995 4.291664 9.709305       5.832596 
1 1 1 17  19 13 o 67.96295 3.596837 571.1545       59.05746 613.5825       85.88177 533.0928       81.34270 70.36470 5.044798 65.56121 5.128251 4.803490       7.193674 
1 1 1 17  19 14 o 36.09052 6.123614 177.3337       53.29662 219.5344       77.32468 139.1405       73.56163 40.36009 8.198597 31.82095 9.098221 8.539146       12.24723 
1 1 1 17  19 15 o 18.30179 5.807777 -27.79850      54.51151 15.48794       79.37386 -66.43992      74.99427 20.69612 8.869778 15.90746 7.499876 4.788661       11.61555 
1 1 1 17  19 16 o 64.04127 4.240726 536.5677       65.23895 541.5532       87.63824 530.3714       97.70397 64.68021 5.600411 63.40232 6.369491 1.277882       8.481451 
1 1 1 17  19 17 o 19.62490 6.034306 -3.629519      59.34783 78.25829       81.55418 -95.80904      86.52744 23.77794 9.460085 15.47186 7.493876 8.306086       12.06861 
1 1 1 17  21 0  o 173.5322 3.004495 3645.663       126.0032 3502.929       173.3276 3805.640       183.4979 169.9406 4.215684 177.1238 4.282052 -7.183182      6.008990 
1 1 1 17  21 1  f 168.3968 2.991208 3436.425       121.7987 3319.072       168.9408 3563.443       175.7602 165.4073 4.221604 171.3863 4.238793 -5.979034      5.982417 
1 1 1 17  21 2  o 196.0209 3.137363 4662.326       148.7596 4759.238       212.9143 4569.897       207.9299 198.0091 4.444442 194.0326 4.429347 3.976501       6.274725 
1 1 1 17  21 3  o 46.52164 4.730939 265.0792       52.98820 236.9230       75.35024 292.6255       74.52976 44.04498 7.071084 48.99830 6.287042 -4.953327      9.461878 
1 1 1 17  21 4  o 179.9674 3.036345 3904.212       131.6845 4286.250       197.0822 3596.088       176.9933 187.8542 4.336349 172.0805 4.251311 15.77374       6.072690 
1 1 1 17  21 5  o 100.4436 2.927650 1223.502       70.98681 1343.423       102.5989 1113.379       98.31883 105.1676 4.032354 95.71957 4.245547 9.447990       5.855301 
1 1 1 17  21 6  o 107.5666 2.937145 1407.797       76.21860 1548.276       108.8499 1272.662       106.7593 112.8564 3.986571 102.2768 4.314456 10.57958       5.874290 
1 1 1 17  21 7  o 154.4042 3.539716 2897.521       124.9697 2955.384       216.2365 2868.502       153.1330 155.3193 5.754415 153.4890 4.123721 1.830322       7.079432 
1 1 1 17  21 8  o 143.1475 2.899291 2495.924       100.3539 2605.965       144.5455 2393.526       139.4361 146.1939 4.086702 140.1011 4.113688 6.092850       5.798583 
1 1 1 17  21 9  o 67.09245 3.672239 554.0882       59.42820 505.1999       84.04665 602.9708       84.04169 64.08076 5.421138 70.10413 4.955059 -6.023361      7.344477 
1 1 1 17  21 10 o 90.74666 3.207593 1009.242       70.36800 1065.717       101.3672 956.7123       97.76151 93.20552 4.495245 88.28779 4.576832 4.917732       6.415186 
1 1 1 17  21 11 o 17.93613 5.695672 -27.38749      51.28527 -36.13868      69.46918 -16.90507      76.03081 16.95442 7.715855 18.91785 8.380233 -1.963434      11.39134 
1 1 1 17  21 12 o 41.44931 5.939755 228.1791       58.48432 277.1058       83.67790 181.4539       81.77361 46.49217 7.439242 36.40645 9.261774 10.08572       11.87951 
1 1 1 17  21 13 f 22.28132 6.283904 31.74439       54.22012 84.00642       76.92487 -19.85432      76.43513 26.09776 9.458045 18.46489 8.276181 7.632870       12.56781 
1 1 1 17  21 14 o 62.31857 4.472124 507.7914       66.13407 400.9558       93.48618 614.8171       93.56928 55.22823 6.996551 69.40891 5.572060 -14.18068      8.944248 
1 1 1 17  21 15 o 59.23971 4.769554 471.2147       68.23047 475.6783       94.09097 466.2644       99.08774 59.73557 6.510474 58.74385 6.971966 0.9917259      9.539108 
1 1 1 17  23 0  o 188.2015 3.104527 4294.323       141.1320 4566.747       206.6990 4056.397       193.1688 193.7714 4.409066 182.6317 4.371783 11.13965       6.209054 
1 1 1 17  23 1  o 125.5618 2.890076 1916.492       87.79238 1936.760       124.5421 1896.472       123.7758 126.2230 4.078265 124.9006 4.096084 1.322411       5.780151 
1 1 1 17  23 2  o 199.2459 4.531873 4833.931       218.4588 4833.931       218.4588 0.000000       0.000000 199.2459 4.531873 ?        ?        ?              ?        
1 1 1 17  23 3  o 93.58008 3.092000 1063.601       69.90227 1141.142       101.8460 994.5392       96.11613 96.79921 4.348804 90.36094 4.396562 6.438271       6.184000 
1 1 1 17  23 4  o 86.80452 3.175516 920.4254       66.55148 891.2447       96.31348 947.0892       92.06612 85.45898 4.658296 88.15005 4.316930 -2.691071      6.351031 
1 1 1 17  23 5  o 42.83086 5.283225 225.6929       52.83480 292.4640       81.35227 176.9842       69.48306 48.63042 6.914477 37.03130 7.989985 11.59912       10.56645 
1 1 1 17  23 6  o 123.1419 2.866195 1833.699       84.99855 2051.484       127.6158 1660.050       113.9533 129.6496 4.068469 116.6342 4.038300 13.01536       5.732391 
1 1 1 17  23 7  o 61.41956 4.151710 468.8422       61.19428 439.6914       90.70502 493.1943       82.90376 59.56081 6.294604 63.27831 5.415232 -3.717495      8.303420 
1 1 1 17  23 8  o 94.39514 3.267362 1093.893       74.56418 1153.903       106.7295 1036.678       104.2148 96.94426 4.550512 91.84602 4.689933 5.098236       6.534725 
1 1 1 17  23 9  o 24.15373 6.359046 37.93907       57.44297 -51.66101      83.26610 119.3066       79.34866 18.07014 8.307317 30.23733 9.630076 -12.16719      12.71809 
1 1 1 17  23 10 o 140.6449 3.024762 2438.368       102.9195 2453.544       146.3995 2423.539       144.7156 141.0703 4.289449 140.2195 4.265838 0.8507538      6.049525 
1 1 1 17  23 11 o 46.39381 5.750397 293.1665       60.94969 186.8684       85.63879 402.2762       86.76397 36.55738 9.570402 56.23023 6.377746 -19.67285      11.50079 
1 1 1 17  23 12 o 38.03427 6.343727 203.8308       61.96613 111.0028       87.49947 297.2290       87.76784 28.65007 10.12139 47.41848 7.650424 -18.76841      12.68745 
1 1 1 17  23 13 o 43.41177 5.947178 259.7628       60.92847 209.2097       81.14878 325.0873       92.24568 37.94837 8.978789 48.87517 7.801093 -10.92680      11.89436 
1 1 1 17  23 14 f 35.40366 7.132085 197.5868       68.65337 113.2095       93.36842 296.9019       101.2965 27.27255 10.31932 43.53476 9.847755 -16.26221      14.26417 
1 1 1 17  25 0  o 50.52020 4.806927 311.4221       58.16156 380.9531       87.97382 257.4338       77.52010 55.49635 6.552194 45.54405 7.035264 9.952297       9.613854 
1 1 1 17  25 1  o 33.77076 6.499126 148.6731       54.11400 150.9270       82.96687 147.0043       71.38902 33.98697 9.643279 33.55455 8.715603 0.4324226      12.99825 
1 1 1 17  25 2  o 104.4087 3.056476 1323.634       76.93036 1450.124       114.7999 1220.531       103.6451 108.8960 4.357397 99.92144 4.287339 8.974609       6.112952 
1 1 1 17  25 3  o 49.26759 5.381470 328.4798       58.36859 213.2401       87.92099 419.2941       78.04924 40.20643 9.233187 58.32875 5.530745 -18.12232      10.76294 
1 1 1 17  25 4  o 98.71045 3.146771 1196.463       74.91636 1162.064       109.4050 1226.834       102.7988 97.31395 4.646860 100.1069 4.244451 -2.792992      6.293542 
1 1 1 17  25 5  o 58.19959 4.207087 422.7133       58.48008 404.6673       88.97874 436.4361       77.59226 56.96881 6.455750 59.43038 5.396443 -2.461571      8.414173 
1 1 1 17  25 6  f 149.6625 2.980670 2737.563       107.6585 2924.157       159.2622 2580.550       146.0931 154.3118 4.265907 145.0133 4.164086 9.298477       5.961340 
1 1 1 17  25 7  o 87.45602 3.524845 946.8759       74.56613 971.6708       106.6398 923.1555       104.3038 88.57942 4.976046 86.33262 4.993707 2.246803       7.049691 
1 1 1 17  25 8  o 49.48087 5.687486 323.0555       65.98132 298.2366       96.67136 344.7010       90.27956 47.05854 8.814898 51.90320 7.189406 -4.844658      11.37497 
1 1 1 17  25 9  f 57.59287 4.607034 423.5524       64.16116 405.7643       90.02808 441.9126       91.46410 56.32117 6.606996 58.86458 6.422356 -2.543411      9.214068 
1 1 1 17  25 10 o 33.50242 7.085481 161.9221       61.82843 166.9615       89.70249 157.3613       85.33789 33.93323 10.14367 33.07160 9.895562 0.8616295      14.17096 
1 1 1 17  25 11 o 89.74933 3.535311 1010.702       76.28675 880.0167       102.1563 1175.455       114.7017 83.20202 5.074920 96.29665 4.923301 -13.09463      7.070622 
1 1 1 17  25 12 f 22.82795 6.848510 43.76116       65.52383 25.43364       88.01005 66.55312       98.14568 21.25811 9.226119 24.39780 10.12359 -3.139694      13.69702 
1 1 1 17  27 0  o 76.43051 3.667946 724.3036       67.61948 697.1739       98.34349 748.6312       93.12641 74.99200 5.420363 77.86901 4.943174 -2.877007      7.335892 
1 1 1 17  27 1  o 50.17115 5.416808 323.2773       60.74910 483.0744       91.04202 195.0261       81.56203 62.20837 6.049100 38.13393 8.987527 24.07444       10.83362 
1 1 1 17  27 2  o 98.28539 3.251963 1177.562       76.84199 1319.329       116.9229 1069.776       101.9511 103.4020 4.673779 93.16874 4.522925 10.23329       6.503926 
1 1 1 17  27 3  o 24.64755 6.657093 42.76144       58.27465 115.8362       89.56292 -10.88741      76.74053 30.02356 10.26131 19.27154 8.483699 10.75202       13.31419 
1 1 1 17  27 4  f 104.4414 3.260218 1340.348       82.07806 1461.389       122.6262 1242.107       110.4744 108.6568 4.664703 100.2261 4.555944 8.430672       6.520435 
1 1 1 17  27 5  o 138.8319 3.065518 2351.998       102.2788 2686.417       155.7176 2098.255       135.6401 147.3752 4.367277 130.2886 4.303081 17.08669       6.131037 
1 1 1 17  27 6  o 96.06250 3.366158 1146.039       78.04386 1201.176       115.3173 1099.443       106.0105 98.13017 4.857240 93.99483 4.661683 4.135330       6.732315 
1 1 1 17  27 7  o 101.2835 3.285918 1279.353       80.43775 1325.073       117.0098 1238.386       110.7597 102.9618 4.697251 99.60525 4.596180 3.356583       6.571836 
1 1 1 17  27 8  o 60.10987 6.415264 493.2135       92.47171 561.0946       142.8569 444.2594       121.3169 63.41083 9.311837 56.80892 8.826785 6.601910       12.83053 
1 1 1 17  27 9  o 40.45429 8.104218 238.6659       96.76501 469.0066       148.2933 67.86437       127.6974 54.40761 11.61893 26.50098 11.30105 27.90663       16.20844 
1 1 1 17  27 10 o 35.63330 7.642696 209.2560       97.05811 -49.28019      152.7245 384.4140       125.7080 22.60634 10.67177 48.66026 10.94333 -26.05392      15.28539 
1 1 1 18  0  0  o 149.9979 2.454981 2726.449       125.8418 2726.449       125.8418 2726.449       125.8418 149.9979 3.471867 149.9979 3.471867 0.000000       0.000000 
1 1 1 18  0  1  o 477.3611 6.023689 27611.86       983.1390 27611.86       983.1390 27611.86       983.1390 477.3611 8.518783 477.3611 8.518783 0.000000       0.000000 
1 1 1 18  0  2  o 155.0519 2.511295 2913.100       133.0692 2913.100       133.0692 2913.100       133.0692 155.0519 3.551507 155.0519 3.551507 0.000000       0.000000 
1 1 1 18  0  3  f 250.4762 3.453421 7599.287       295.7063 7599.287       295.7063 7599.287       295.7063 250.4762 4.883874 250.4762 4.883874 0.000000       0.000000 
1 1 1 18  0  4  o 909.4089 11.18908 100297.5       3479.160 100297.5       3479.160 100297.5       3479.160 909.4089 15.82375 909.4089 15.82375 0.000000       0.000000 
1 1 1 18  0  5  o 113.1630 2.233397 1552.833       86.32204 1552.833       86.32204 1552.833       86.32204 113.1630 3.158500 113.1630 3.158500 0.000000       0.000000 
1 1 1 18  0  6  o 641.2933 7.974738 49850.99       1748.588 49850.99       1748.588 49850.99       1748.588 641.2933 11.27798 641.2933 11.27798 0.000000       0.000000 
1 1 1 18  0  7  o 329.3902 4.329914 13144.75       487.6054 13144.75       487.6054 13144.75       487.6054 329.3902 6.123423 329.3902 6.123423 0.000000       0.000000 
1 1 1 18  0  8  o 292.8766 3.922179 10393.94       392.7154 10393.94       392.7154 10393.94       392.7154 292.8766 5.546799 292.8766 5.546799 0.000000       0.000000 
1 1 1 18  0  9  o 123.1337 2.349342 1838.670       98.81551 1838.670       98.81551 1838.670       98.81551 123.1337 3.322471 123.1337 3.322471 0.000000       0.000000 
1 1 1 18  0  10 o 50.85377 3.888334 323.9738       65.65205 323.9738       65.65205 323.9738       65.65205 50.85377 5.498935 50.85377 5.498935 0.000000       0.000000 
1 1 1 18  0  11 o 387.3213 4.997515 18202.00       661.7845 18202.00       661.7845 18202.00       661.7845 387.3213 7.067553 387.3213 7.067553 0.000000       0.000000 
1 1 1 18  0  12 o 163.0261 2.667212 3222.387       148.5958 3222.387       148.5958 3222.387       148.5958 163.0261 3.772007 163.0261 3.772007 0.000000       0.000000 
1 1 1 18  0  13 o 6.802017 3.460837 -69.36234      39.56690 -69.36234      39.56690 -69.36234      39.56690 6.802017 4.894362 6.802017 4.894362 0.000000       0.000000 
1 1 1 18  0  14 o 274.7701 3.764590 9166.792       353.6198 9166.792       353.6198 9166.792       353.6198 274.7701 5.323935 274.7701 5.323935 0.000000       0.000000 
1 1 1 18  0  15 o 48.96275 3.381473 299.0895       55.40806 299.0895       55.40806 299.0895       55.40806 48.96275 4.782125 48.96275 4.782125 0.000000       0.000000 
1 1 1 18  0  16 o 86.97499 2.507246 922.1320       74.33015 922.1320       74.33015 922.1320       74.33015 86.97499 3.545781 86.97499 3.545781 0.000000       0.000000 
1 1 1 18  0  17 o 101.8638 2.584738 1265.252       89.82217 1265.252       89.82217 1265.252       89.82217 101.8638 3.655372 101.8638 3.655372 0.000000       0.000000 
1 1 1 18  0  18 o 8.177943 4.132076 -77.97546      52.43245 -77.97546      52.43245 -77.97546      52.43245 8.177943 5.843638 8.177943 5.843638 0.000000       0.000000 
1 1 1 18  0  19 o 48.65532 4.284914 305.3693       68.34686 305.3693       68.34686 305.3693       68.34686 48.65532 6.059783 48.65532 6.059783 0.000000       0.000000 
1 1 1 18  0  20 o 14.75528 6.556318 21.17934       69.24784 21.17934       69.24784 21.17934       69.24784 14.75528 9.272034 14.75528 9.272034 0.000000       0.000000 
1 1 1 18  2  0  o 196.4241 3.346960 4566.572       134.7548 4479.122       153.3037 4863.771       282.6165 192.4027 3.293360 200.4455 5.827723 -8.042847      6.693921 
1 1 1 18  2  1  o 495.4185 7.224053 29580.62       744.3297 29421.43       855.3282 30077.34       1510.866 492.9322 7.172051 497.9047 12.54231 -4.972534      14.44811 
1 1 1 18  2  2  o 752.1541 10.69226 69223.45       1705.944 69814.92       1987.297 67566.92       3325.812 758.9792 10.82258 745.3288 18.44368 13.65045       21.38451 
1 1 1 18  2  3  o 795.6904 11.42186 75995.87       1870.372 75228.42       2136.578 78512.79       3869.286 787.9218 11.20813 803.4591 19.90512 -15.53735      22.84373 
1 1 1 18  2  4  o 212.6783 3.539345 5461.135       157.3085 5449.052       181.3143 5497.918       316.3499 212.2212 3.531352 213.1354 6.134932 -0.9141998     7.078689 
1 1 1 18  2  5  o 398.9087 5.929473 19081.81       488.9430 18911.22       559.7351 19631.17       1004.448 395.2884 5.852833 402.5289 10.31402 -7.240479      11.85895 
1 1 1 18  2  6  o 241.4883 3.924901 6785.169       190.3184 6581.039       214.1378 7552.647       415.2153 233.2139 3.795217 249.7628 6.871370 -16.54890      7.849802 
1 1 1 18  2  7  o 348.7806 5.203519 15006.93       390.1107 15340.04       459.4504 14146.34       738.4795 355.9657 5.334923 341.5955 8.935606 14.37021       10.40704 
1 1 1 18  2  8  o 305.5403 4.720062 11117.40       295.3724 10949.14       336.2534 11685.90       618.0814 300.7164 4.621758 310.3643 8.231359 -9.647858      9.440124 
1 1 1 18  2  9  o 287.5291 4.464304 10088.36       270.9428 10157.73       314.6353 9889.352       532.9534 289.6122 4.490434 285.4461 7.717257 4.166077       8.928608 
1 1 1 18  2  10 o 133.4540 3.405909 2156.181       109.9682 2156.181       109.9682 0.000000       0.000000 133.4540 3.405909 ?        ?        ?              ?        
1 1 1 18  2  11 o 162.0692 3.060549 3166.835       102.9873 3152.317       118.2709 3212.374       209.4589 161.3676 3.029419 162.7708 5.318878 -1.403198      6.121098 
1 1 1 18  2  12 o 180.0361 3.270598 3912.758       122.0811 3897.521       140.1319 3960.738       248.6623 179.4071 3.228457 180.6652 5.688965 -1.258057      6.541197 
1 1 1 18  2  13 o 46.94243 4.128687 235.5191       42.02851 200.9431       48.25946 344.0809       85.51338 40.69663 4.901418 53.18823 6.645325 -12.49160      8.257375 
1 1 1 18  2  14 o 72.01079 3.159235 597.5157       45.21201 574.9794       50.59425 686.8531       100.7341 68.88390 3.035856 75.13769 5.541358 -6.253792      6.318471 
1 1 1 18  2  15 o 253.2245 3.552036 7808.588       217.5482 7670.638       303.1631 7955.037       312.3624 250.9305 4.993680 255.5186 5.052821 -4.588150      7.104072 
1 1 1 18  2  16 o 151.4487 2.642040 2790.788       96.78587 2867.568       138.4193 2717.340       135.3829 153.4882 3.727516 149.4092 3.745281 4.078995       5.284081 
1 1 1 18  2  17 o 44.27646 3.886219 241.8368       41.60306 236.5564       59.46282 246.9002       58.22783 43.78474 5.613328 44.76818 5.375995 -0.9834480     7.772437 
1 1 1 18  2  18 o 90.81122 2.760228 1010.185       60.61009 965.2652       84.44251 1057.920       87.04809 88.72124 3.933972 92.90120 3.872894 -4.179962      5.520457 
1 1 1 18  2  19 o 36.22294 5.492742 173.4147       48.06095 236.9528       70.13933 117.1763       65.98742 43.05557 6.733330 29.39030 8.680040 13.66527       10.98548 
1 1 1 18  2  20 o 30.64692 5.875990 120.1999       51.11368 33.46583       68.74966 227.3956       76.43014 20.78002 8.532747 40.51381 8.080919 -19.73379      11.75198 
1 1 1 18  4  0  o 604.8195 7.531853 44322.20       1101.792 44970.16       1581.630 43711.31       1535.721 609.1033 10.73277 600.5356 10.56991 8.567688       15.06371 
1 1 1 18  4  1  o 526.2662 6.594137 33544.68       839.5002 33848.90       1197.691 33250.86       1177.043 528.6084 9.365013 523.9240 9.285855 4.684387       13.18827 
1 1 1 18  4  2  o 268.4678 3.657784 8721.705       237.5755 8771.729       337.4598 8672.548       334.5243 269.2309 5.180777 267.7048 5.164986 1.526093       7.315567 
1 1 1 18  4  3  o 713.0844 10.12632 62330.26       1539.169 63079.82       1799.304 60285.55       2971.784 721.6198 10.30609 704.5490 17.43427 17.07080       20.25264 
1 1 1 18  4  4  o 207.2540 3.492276 5212.578       151.7675 5227.453       175.4432 5168.352       302.5173 207.8607 3.488686 206.6474 6.050871 1.213287       6.984552 
1 1 1 18  4  5  o 196.5395 3.597010 4556.215       157.2872 4384.246       186.8482 4974.420       291.3791 190.3508 4.057250 202.7281 5.940761 -12.37726      7.194019 
1 1 1 18  4  6  o 510.1137 7.384749 31746.23       796.7195 31960.50       926.1328 31136.23       1562.663 513.7209 7.451499 506.5065 12.75199 7.214478       14.76950 
1 1 1 18  4  7  o 178.4444 3.217841 3873.522       120.0050 3892.440       138.5723 3816.776       239.9971 179.3506 3.193533 177.5382 5.587428 1.812393       6.435682 
1 1 1 18  4  8  o 216.5274 3.852834 5662.032       188.8861 5630.350       229.4004 5728.733       332.8535 215.6424 4.397014 217.4124 6.327999 -1.770065      7.705667 
1 1 1 18  4  9  o 298.6337 4.904480 10850.52       334.7371 10915.48       411.4673 10723.38       575.6083 300.1018 5.667148 297.1656 8.006193 2.936127       9.808960 
1 1 1 18  4  10 f 292.1173 4.573718 10166.28       273.0964 10007.61       310.6103 10706.72       573.2427 287.4181 4.466829 296.8166 7.982669 -9.398438      9.147435 
1 1 1 18  4  11 o 50.57504 4.139641 371.4471       35.88733 409.1782       40.44496 231.7668       77.81837 58.13906 2.875372 43.01102 7.763939 15.12804       8.279283 
1 1 1 18  4  12 o 279.4733 4.395507 9586.050       259.8228 9696.310       302.4421 9275.432       507.6279 282.8405 4.419755 276.1060 7.599191 6.734589       8.791015 
1 1 1 18  4  13 o 188.5117 3.425210 4288.639       132.6563 4267.731       151.6088 4356.931       274.0035 187.6902 3.338724 189.3331 5.981737 -1.642853      6.850420 
1 1 1 18  4  14 o 15.80817 4.807338 -3.399537      33.16850 25.08765       36.14132 -155.5027      83.51189 16.96069 6.419608 14.65565 7.157558 2.305039       9.614676 
1 1 1 18  4  15 o 56.88851 4.066812 386.6035       41.99171 382.1260       45.97072 409.1613       103.1831 56.10455 3.386733 57.67247 7.394989 -1.567917      8.133623 
1 1 1 18  4  16 o 198.1350 3.567784 4866.839       147.4156 4927.768       170.5088 4686.496       293.3501 201.2406 3.502102 195.0294 6.217041 6.211151       7.135568 
1 1 1 18  4  17 f 81.88947 3.641718 856.3171       56.02014 875.9383       62.49593 776.0857       126.3749 84.83116 3.045047 78.94776 6.616354 5.883400       7.283437 
1 1 1 18  4  18 o 53.30833 3.631862 352.6747       46.30513 287.1813       64.19939 423.6915       66.85178 48.04219 5.523391 58.57446 4.717397 -10.53226      7.263723 
1 1 1 18  4  19 o 65.70247 3.397533 538.0620       54.00599 538.2998       76.57984 537.8267       76.17377 65.71204 4.816895 65.69290 4.792750 0.1914215E-01  6.795066 
1 1 1 18  4  20 f 23.39577 6.360387 60.96373       52.21679 28.29906       77.17839 88.53825       70.91050 21.09318 8.880431 25.69836 9.108020 -4.605173      12.72077 
1 1 1 18  6  0  o 617.1523 7.679123 46061.04       1144.807 44655.95       1567.392 47667.73       1676.069 607.1006 10.67124 627.2041 11.04538 -20.10345      15.35825 
1 1 1 18  6  1  o 1134.909 19.81127 157073.6       5429.756 162879.2       7973.049 152052.4       7414.958 1154.200 28.55230 1115.619 27.47202 38.58105       39.62254 
1 1 1 18  6  2  o 480.9049 6.073092 27992.82       706.3931 28418.16       1013.783 27591.43       984.8277 484.4510 8.649536 477.3588 8.527328 7.092163       12.14618 
1 1 1 18  6  3  o 506.1848 6.361918 31013.12       778.7836 30486.66       1082.595 31577.74       1121.150 501.7400 8.918357 510.6295 9.075183 -8.889435      12.72384 
1 1 1 18  6  4  o 613.4279 7.641729 45429.04       1130.641 43524.38       1528.701 47729.12       1679.910 599.3146 10.54303 627.5412 11.06474 -28.22662      15.28346 
1 1 1 18  6  5  o 312.6664 5.861843 11833.49       443.4225 0.000000       0.000000 11833.49       443.4225 ?        ?        312.6664 5.861843 ?              ?        
1 1 1 18  6  6  o 151.7861 3.094562 2749.797       106.7899 2678.544       129.5780 2900.655       188.5442 148.7767 3.599932 154.7956 5.034455 -6.018906      6.189124 
1 1 1 18  6  7  o 450.9245 7.037186 24677.05       723.1104 24636.32       884.6022 24759.07       1255.374 450.6728 8.113053 451.1762 11.50071 -0.5034180     14.07437 
1 1 1 18  6  8  o 242.6689 3.939823 7129.172       199.5853 7122.951       230.0168 7148.127       401.5070 242.5572 3.919611 242.7806 6.835603 -0.2233887     7.879646 
1 1 1 18  6  9  o 73.37337 3.059491 649.3373       48.12606 646.2090       56.19773 657.9417       93.20205 73.06424 3.179155 73.68251 5.228280 -0.6182709     6.118981 
1 1 1 18  6  10 o 315.1005 4.805974 12284.85       325.0388 12568.71       382.6357 11549.08       616.0334 322.0340 4.911130 308.1669 8.262586 13.86703       9.611947 
1 1 1 18  6  11 o 72.76684 3.089914 576.4886       43.24662 539.1661       47.59678 753.1232       103.5453 66.73513 2.947954 78.79855 5.431376 -12.06342      6.179828 
1 1 1 18  6  12 o 263.4409 4.252586 8366.791       231.0138 8310.929       264.3548 8547.293       475.1946 261.8635 4.172631 265.0183 7.411282 -3.154816      8.505172 
1 1 1 18  6  13 f 229.4390 3.889117 6390.703       183.9734 6384.514       210.8171 6410.470       376.7530 229.4826 3.797115 229.3955 6.788433 0.8714294E-01  7.778233 
1 1 1 18  6  14 o 144.9129 3.120399 2447.750       89.32013 2375.830       99.90985 2734.087       199.3520 140.0040 2.949617 149.8217 5.499756 -9.817749      6.240798 
1 1 1 18  6  15 o 121.6276 3.108136 1744.268       73.43608 1706.689       81.81502 1900.060       166.5831 118.6068 2.851157 124.6484 5.523851 -6.041557      6.216271 
1 1 1 18  6  16 f 21.55852 6.118448 4.616376       35.96436 -9.846230      38.69235 96.46639       97.50828 13.68584 6.024403 29.43121 10.65121 -15.74537      12.23690 
1 1 1 18  6  17 o 23.99937 5.907287 71.96237       40.93386 91.68234       44.60918 -33.13504      102.9834 26.58019 6.882561 21.41856 9.602839 5.161625       11.81457 
1 1 1 18  6  18 o 18.12748 5.807391 -10.85287      43.56106 -1.454861      47.74377 -57.54908      106.4240 15.81654 6.829852 20.43843 9.394482 -4.621887      11.61478 
1 1 1 18  6  19 o 29.99847 6.765743 120.3514       47.17047 122.2153       51.59044 110.8507       116.4762 30.13894 7.177953 29.85801 11.47075 0.2809296      13.53149 
1 1 1 18  6  20 o 22.80360 7.066105 15.54103       64.34525 -2.922225      73.90625 73.37299       130.8010 18.63343 8.257884 26.97377 11.46851 -8.340345      14.13221 
1 1 1 18  8  0  o 546.4502 6.845484 36079.27       903.2527 37524.40       1328.274 34836.14       1231.942 556.5911 9.863914 536.3093 9.494516 20.28180       13.69097 
1 1 1 18  8  1  o 183.1064 2.844759 4056.100       126.0124 4007.391       176.7867 4106.407       179.6650 181.9892 4.015149 184.2236 4.031028 -2.234436      5.689517 
1 1 1 18  8  2  o 175.3199 3.427862 3695.203       136.7033 3790.601       239.5577 3649.136       166.4689 176.9766 5.594897 173.6631 3.962080 3.313416       6.855723 
1 1 1 18  8  3  o 513.1100 6.452435 31883.15       800.8102 31472.12       1117.686 32316.75       1147.953 509.7176 9.063335 516.5024 9.186490 -6.784790      12.90487 
1 1 1 18  8  4  o 264.0581 5.126742 8439.094       327.5241 8439.094       327.5241 0.000000       0.000000 264.0581 5.126742 ?        ?        ?              ?        
1 1 1 18  8  5  o 239.6548 3.391550 6945.730       196.4999 6791.857       271.6401 7114.634       284.5982 236.8750 4.739934 242.4346 4.852162 -5.559570      6.783100 
1 1 1 18  8  6  o 49.94930 2.911147 301.8463       35.16997 293.0182       49.10470 311.1449       50.39613 49.19975 4.125322 50.69885 4.108627 -1.499107      5.822294 
1 1 1 18  8  7  o 201.8475 3.001096 4933.115       146.5564 4946.310       207.4527 4919.969       207.0718 202.1170 4.242423 201.5780 4.245957 0.5390472      6.002192 
1 1 1 18  8  8  o 180.3928 2.822174 3940.384       123.1690 3960.927       174.5901 3920.029       173.7872 180.8609 3.989998 179.9247 3.992316 0.9362640      5.644348 
1 1 1 18  8  9  o 310.6137 4.138387 11681.61       310.6209 11331.51       426.7766 12075.99       452.9604 305.6839 5.770664 315.5436 5.933331 -9.859741      8.276774 
1 1 1 18  8  10 o 254.6232 4.153633 7612.871       212.6421 7420.436       239.6637 8324.807       460.9775 247.5042 4.002370 261.7421 7.279540 -14.23787      8.307266 
1 1 1 18  8  11 o 266.3217 4.286442 8550.910       235.9599 8495.540       270.3181 8728.138       483.6193 264.7736 4.219862 267.8699 7.462380 -3.096313      8.572885 
1 1 1 18  8  12 o 235.3254 3.968011 6592.433       189.2349 6484.664       214.4202 6972.041       402.4280 231.3137 3.831441 239.3371 6.949856 -8.023422      7.936022 
1 1 1 18  8  13 o 161.8041 3.327222 3136.018       107.3446 3102.769       121.0119 3258.775       232.5198 160.0073 3.125980 163.6010 5.874511 -3.593689      6.654445 
1 1 1 18  8  14 o 54.50053 4.465217 344.5843       42.87960 336.3924       46.47754 391.4337       111.1481 52.63595 3.649710 56.36510 8.150599 -3.729145      8.930433 
1 1 1 18  8  15 o 94.53902 3.572140 1115.197       69.02683 1135.512       79.22279 1051.160       140.6557 96.64648 3.388143 92.43155 6.289771 4.214935       7.144280 
1 1 1 18  8  16 o 50.18838 4.700586 274.0960       41.52209 258.1583       44.71700 373.8251       111.8589 45.97047 4.020605 54.40628 8.498046 -8.435810      9.401173 
1 1 1 18  8  17 o 110.4790 3.308757 1446.164       70.80711 1409.203       78.78561 1601.428       161.4760 107.5224 3.028626 113.4355 5.883784 -5.913086      6.617514 
1 1 1 18  8  18 o 24.65112 6.734975 61.47550       45.99214 63.34270       49.95964 51.10054       117.7653 22.64869 7.664244 26.65356 11.07695 -4.004864      13.46995 
1 1 1 18  8  19 o 77.97529 4.309463 785.3973       62.29107 789.1954       69.06235 768.8280       144.2484 79.94554 3.570629 76.00504 7.844519 3.940506       8.618925 
1 1 1 18  8  20 o 21.69756 6.882428 -1.826858      77.73820 50.70791       94.65067 -110.7198      136.2700 23.34880 9.832465 20.04631 9.632958 3.302494       13.76486 
1 1 1 18  10 0  o 420.8427 5.393285 21348.09       547.2493 20335.55       737.9031 22585.69       815.8016 409.8139 7.442355 431.8716 7.807781 -22.05771      10.78657 
1 1 1 18  10 1  o 380.5684 4.937322 17500.61       453.9475 16914.80       622.1051 18167.76       663.8873 373.7752 6.879405 387.3615 7.083951 -13.58630      9.874643 
1 1 1 18  10 2  o 97.35703 3.511523 1146.872       82.71137 1146.872       82.71137 0.000000       0.000000 97.35703 3.511523 ?        ?        ?              ?        
1 1 1 18  10 3  o 710.9308 8.821023 61376.77       1517.029 60829.57       2125.264 61945.21       2166.126 707.7149 12.41230 714.1467 12.53701 -6.431824      17.64205 
1 1 1 18  10 4  o 153.9777 2.683284 2866.263       99.88874 2788.145       138.1088 2951.951       144.6458 151.7809 3.760988 156.1745 3.828189 -4.393616      5.366568 
1 1 1 18  10 5  o 349.1417 4.574576 14773.16       386.4142 14752.55       545.5385 14793.90       547.4106 348.8980 6.462857 349.3854 6.475991 -0.4873657     9.149152 
1 1 1 18  10 6  o 297.3240 4.002509 10702.20       287.7339 10981.68       416.0129 10445.89       398.3932 301.0372 5.711948 293.6108 5.608382 7.426422       8.005017 
1 1 1 18  10 7  o 324.6907 4.301986 12781.69       337.9191 12885.11       481.2563 12681.12       474.5929 325.9838 6.102083 323.3976 6.065717 2.586182       8.603972 
1 1 1 18  10 8  o 138.1727 3.250680 2367.972       102.1243 2485.947       126.4158 2146.342       173.2695 143.2840 3.646710 133.0613 5.382303 10.22273       6.501360 
1 1 1 18  10 9  o 145.7029 2.607724 2570.850       91.91490 2623.675       130.5042 2518.854       129.4765 147.1891 3.664769 144.2168 3.710845 2.972275       5.215448 
1 1 1 18  10 10 o 142.1823 2.607419 2448.182       89.68305 2482.768       128.0009 2414.832       125.6926 143.1681 3.695426 141.1966 3.679452 1.971542       5.214838 
1 1 1 18  10 11 o 214.0110 3.172814 5551.397       164.2368 5460.747       229.1033 5647.232       235.5634 212.2172 4.462193 215.8048 4.511743 -3.587570      6.345627 
1 1 1 18  10 12 o 65.93726 3.960619 530.0959       47.51784 530.8462       52.20592 526.4724       114.7308 66.18613 3.260247 65.68840 7.219197 0.4977264      7.921238 
1 1 1 18  10 13 o 116.7530 3.163762 1622.744       71.85685 1600.136       80.22609 1714.456       161.5848 114.8991 2.886003 118.6069 5.631035 -3.707848      6.327525 
1 1 1 18  10 14 o 106.7288 3.276073 1330.431       65.93548 1297.293       72.71744 1483.641       156.3564 103.3992 2.906828 110.0585 5.872050 -6.659332      6.552146 
1 1 1 18  10 15 o 96.03536 3.608841 1139.068       63.43958 1143.486       69.88609 1118.382       151.2279 96.99828 2.977998 95.07245 6.574683 1.925827       7.217682 
1 1 1 18  10 16 o 131.7108 3.242351 2082.064       84.13435 2048.028       94.35281 2214.158       185.8798 129.6982 3.006897 133.7234 5.745427 -4.025208      6.484703 
1 1 1 18  10 17 f 19.55538 6.225402 -52.12629      41.13535 -69.92512      43.99343 71.65973       116.0187 11.03347 5.343962 28.07728 11.24565 -17.04382      12.45080 
1 1 1 18  10 18 o 123.1137 3.431820 1919.217       83.38607 1940.879       94.32816 1841.761       178.3707 125.8528 3.097963 120.3747 6.124719 5.478104       6.863640 
1 1 1 18  10 19 o 47.37347 6.589422 305.0272       55.13070 297.2390       60.15836 345.8655       137.7566 48.34805 5.142979 46.39889 12.13391 1.949162       13.17884 
1 1 1 18  10 20 o 25.45685 7.875107 14.26555       86.13282 -66.24628      102.0847 213.2064       160.4697 18.10437 8.599023 32.80933 13.19568 -14.70496      15.75021 
1 1 1 18  12 0  o 314.7626 4.208367 11973.58       320.0110 11573.11       438.4223 12430.23       468.1687 309.1460 5.861742 320.3792 6.039985 -11.23315      8.416735 
1 1 1 18  12 1  o 330.0811 4.380496 13109.17       348.1348 12357.52       465.4452 14063.67       524.5026 319.4240 6.022803 340.7382 6.362453 -21.31418      8.760991 
1 1 1 18  12 2  f 545.1176 6.854460 36071.01       903.8958 35782.55       1267.164 36369.84       1289.739 542.9084 9.647261 547.3267 9.739860 -4.418335      13.70892 
1 1 1 18  12 3  o 164.3680 2.768083 3266.805       109.9994 3178.018       152.0985 3364.168       159.2748 162.0300 3.879957 166.7059 3.949059 -4.675858      5.536167 
1 1 1 18  12 4  o 273.2478 3.775647 9030.597       249.3459 9361.259       362.8467 8734.727       343.2274 277.9753 5.395288 268.5203 5.283267 9.455078       7.551294 
1 1 1 18  12 5  o 199.2952 3.052629 4796.110       146.9467 4571.774       200.8996 5054.227       215.4952 194.2999 4.273700 204.2905 4.360007 -9.990540      6.105258 
1 1 1 18  12 6  o 340.0830 4.488122 13954.81       367.8396 13239.13       494.4823 14841.53       550.4077 330.3949 6.186074 349.7711 6.504265 -19.37622      8.976245 
1 1 1 18  12 7  o 160.3144 2.745177 3107.943       106.3742 3010.893       146.5991 3215.862       154.5905 157.6769 3.842916 162.9518 3.921221 -5.274857      5.490353 
1 1 1 18  12 8  o 331.4522 4.400598 13323.52       352.7114 13034.37       489.4948 13635.77       508.6764 327.7233 6.173599 335.1811 6.272775 -7.457764      8.801195 
1 1 1 18  12 9  o 49.65305 3.561996 298.8001       42.11694 374.0497       61.48243 232.2679       57.81160 55.55062 4.574669 43.75547 5.461103 11.79516       7.123991 
1 1 1 18  12 10 o 230.8483 3.351187 6463.252       187.1643 6501.892       265.3112 6424.971       264.0738 231.5355 4.736262 230.1611 4.742324 1.374420       6.702374 
1 1 1 18  12 11 o 237.1217 3.418826 6822.350       196.0365 6696.781       272.1374 6957.793       282.6354 234.8633 4.789286 239.3801 4.880186 -4.516739      6.837651 
1 1 1 18  12 12 o 95.64191 2.667121 1111.610       61.60409 1183.905       86.89378 1038.552       87.35069 98.78355 3.635815 92.50027 3.903202 6.283279       5.334242 
1 1 1 18  12 13 o 153.6533 2.743023 2868.198       101.9360 2961.751       146.2857 2779.894       142.1230 156.0883 3.873729 151.2182 3.884704 4.870102       5.486045 
1 1 1 18  12 14 o 70.81300 4.438943 678.1411       54.76758 709.5956       60.35949 531.5884       130.2868 76.39416 3.265751 65.23185 8.255407 11.16231       8.877887 
1 1 1 18  12 15 o 36.00733 6.350982 205.6076       45.26688 225.3585       48.29992 62.99821       129.7857 42.86162 4.657743 29.15304 11.81716 13.70858       12.70196 
1 1 1 18  12 16 o 67.73218 4.388098 530.4111       52.11044 511.9149       56.34191 639.8572       137.0539 64.68747 3.600054 70.77688 8.003825 -6.089409      8.776196 
1 1 1 18  12 17 o 26.05355 7.095587 54.37019       46.89138 42.44806       50.56158 127.6621       125.3637 20.25656 7.609419 31.85054 11.97857 -11.59399      14.19117 
1 1 1 18  12 18 o 41.67907 6.457475 202.5333       51.53315 175.5513       56.70572 330.5175       123.5005 36.31190 6.701580 47.04624 11.04014 -10.73434      12.91495 
1 1 1 18  12 19 o 37.65905 7.531978 184.1673       56.47508 160.8558       61.37986 312.7900       144.1781 33.59898 7.713863 41.71912 12.93905 -8.120136      15.06396 
1 1 1 18  14 0  o 436.5967 5.593605 23132.28       590.8453 23104.19       834.6058 23160.50       836.5605 436.3318 7.906098 436.8617 7.915003 -0.5299072     11.18721 
1 1 1 18  14 1  o 337.2929 4.465372 13687.31       362.3896 12856.03       482.7913 14760.10       548.4589 325.6723 6.127400 348.9135 6.497166 -23.24115      8.930744 
1 1 1 18  14 2  o 229.9644 3.349238 6404.960       186.3314 6454.267       265.1808 6356.875       261.8752 230.8378 4.748241 229.0910 4.724805 1.746765       6.698476 
1 1 1 18  14 3  o 168.3652 2.818833 3431.483       114.8030 3486.552       164.1809 3378.797       160.5904 169.6860 3.999211 167.0444 3.973611 2.641647       5.637666 
1 1 1 18  14 4  o 114.7972 2.591247 1592.617       71.87586 1710.220       103.9821 1485.012       99.46400 118.8492 3.616262 110.7452 3.712263 8.104012       5.182495 
1 1 1 18  14 5  o 347.7578 4.592131 14640.52       385.6957 14115.23       527.0253 15246.32       565.9664 341.0749 6.386743 354.4407 6.600012 -13.36584      9.184261 
1 1 1 18  14 6  o 319.0537 4.273214 12350.54       329.8522 12330.32       465.7634 12370.88       467.2028 318.7924 6.038862 319.3150 6.047610 -0.5226135     8.546429 
1 1 1 18  14 7  o 87.98793 2.818086 937.9926       59.88687 1011.678       85.43741 866.8206       83.96738 91.38927 3.864120 84.58660 4.103049 6.802666       5.636172 
1 1 1 18  14 8  o 207.1758 3.158359 5202.039       158.2974 5145.822       222.3113 5259.856       225.4546 206.0412 4.459695 208.3104 4.473483 -2.269180      6.316718 
1 1 1 18  14 9  o 187.3078 3.012122 4243.610       136.3353 4470.310       198.7453 4042.115       187.3716 192.0200 4.278070 182.5956 4.241419 9.424454       6.024244 
1 1 1 18  14 10 o 160.7455 2.817017 3133.367       109.5147 3252.293       155.9534 3017.667       153.8230 163.7591 3.936288 157.7319 4.030876 6.027237       5.634033 
1 1 1 18  14 11 o 163.8081 2.837835 3256.785       112.4410 3356.676       160.4068 3160.286       157.6600 166.2807 3.987298 161.3355 4.039143 4.945145       5.675669 
1 1 1 18  14 12 f 116.2466 2.703930 1642.181       76.03973 1613.066       106.8872 1672.014       108.1976 115.2019 3.834984 117.2912 3.812852 -2.089302      5.407859 
1 1 1 18  14 13 o 207.7015 3.195112 5266.513       160.5337 5372.074       229.2652 5164.972       224.8569 209.7431 4.518019 205.6599 4.519123 4.083145       6.390224 
1 1 1 18  14 14 o 46.54405 3.975964 265.1094       44.53761 306.2474       66.03838 230.7866       60.32062 49.85350 5.475180 43.23460 5.766762 6.618908       7.951927 
1 1 1 18  14 15 o 30.38461 7.268769 118.3356       56.05034 128.5522       61.40056 67.25758       137.2893 31.19959 8.072688 29.56962 12.09015 1.629967       14.53754 
1 1 1 18  14 16 o 29.66209 7.158890 101.8719       48.68703 97.05337       52.70311 129.9227       127.1601 27.05652 7.688946 32.26767 12.07804 -5.211157      14.31778 
1 1 1 18  14 17 o 26.92119 7.121992 87.97096       52.30088 93.87231       56.54369 53.01606       137.6140 26.37269 8.090401 27.46968 11.72333 -1.096989      14.24398 
1 1 1 18  14 18 o 45.86076 7.251890 370.2515       59.59986 391.3680       63.92880 229.9822       164.7658 55.56231 4.755695 36.15921 13.70193 19.40310       14.50378 
1 1 1 18  14 19 o 18.83032 6.595348 -68.82254      58.78380 -77.60603      62.27116 3.073171       178.1579 13.18550 6.379388 24.47514 11.54547 -11.28964      13.19070 
1 1 1 18  16 0  o 308.8477 4.169426 11560.88       311.4282 11779.40       447.9883 11356.51       433.2342 311.6648 5.941232 306.0305 5.851345 5.634308       8.338853 
1 1 1 18  16 1  o 93.58978 2.806372 1060.844       63.53885 1045.633       89.90162 1076.026       89.81345 92.91859 3.999103 94.26098 3.938284 -1.342384      5.612745 
1 1 1 18  16 2  o 292.3764 3.993825 10357.43       282.3318 10586.67       408.0980 10147.00       391.0052 295.4692 5.708868 289.2836 5.586714 6.185608       7.987650 
1 1 1 18  16 3  o 230.8458 3.381732 6457.727       188.8650 6500.795       268.3150 6415.433       265.8924 231.6081 4.788383 230.0835 4.776591 1.524612       6.763463 
1 1 1 18  16 4  o 252.4912 3.579994 7727.695       218.6761 7800.880       311.4890 7656.572       307.0676 253.6684 5.075444 251.3139 5.050277 2.354538       7.159988 
1 1 1 18  16 5  o 262.8124 3.697186 8367.862       234.9439 8611.249       339.4617 8144.085       325.4995 266.4723 5.265460 259.1525 5.191498 7.319824       7.394371 
1 1 1 18  16 6  o 63.78931 3.392465 493.3333       52.34525 506.9999       74.34201 479.8955       73.71667 64.66683 4.751716 62.91180 4.843187 1.755035       6.784929 
1 1 1 18  16 7  o 165.4139 2.883256 3313.506       115.3258 3237.484       159.9402 3395.838       166.4448 163.4418 4.044756 167.3861 4.110062 -3.944382      5.766512 
1 1 1 18  16 8  o 238.0623 3.463556 6878.388       199.4802 6958.424       283.2045 6799.580       281.0234 239.4382 4.888825 236.6865 4.907573 2.751694       6.927112 
1 1 1 18  16 9  o 174.4438 2.931782 3689.322       123.6254 3610.946       170.6218 3775.941       179.3716 172.5031 4.088229 176.3845 4.203305 -3.881409      5.863565 
1 1 1 18  16 10 o 230.8812 3.403227 6476.929       189.9342 6303.685       262.0429 6668.691       275.6915 227.6472 4.757818 234.1152 4.867337 -6.468063      6.806453 
1 1 1 18  16 11 o 73.56587 3.074440 659.1531       54.69434 652.4030       78.31647 665.5799       76.41744 73.18977 4.422832 73.94198 4.271684 -0.7522049     6.148880 
1 1 1 18  16 12 o 62.94578 3.500942 484.9911       53.25951 514.1771       75.79871 456.5306       74.85088 64.83380 4.832346 61.05776 5.067033 3.776039       7.001884 
1 1 1 18  16 13 o 59.91810 3.662560 439.4521       52.94962 471.3882       78.49604 412.7876       71.72532 61.89390 5.242006 57.94230 5.116518 3.951607       7.325120 
1 1 1 18  16 14 o 35.00874 5.650760 162.6586       47.37909 119.5535       66.90170 206.0289       67.10709 30.12642 8.695382 39.89107 7.219051 -9.764656      11.30152 
1 1 1 18  16 15 o 85.45642 3.124479 903.5019       64.48145 861.7945       92.46108 942.9930       89.97097 83.46832 4.578625 87.44453 4.252726 -3.976219      6.248959 
1 1 1 18  16 16 o 101.8066 2.977210 1285.136       73.31564 1304.923       105.0050 1266.315       102.4116 102.5581 4.231923 101.0551 4.188788 1.503006       5.954420 
1 1 1 18  16 17 o 23.35171 7.461131 3.604699       54.99495 -7.743629      58.03867 103.3670       172.0817 16.47663 7.309204 30.22678 13.00959 -13.75014      14.92226 
1 1 1 18  16 18 o 34.16601 7.565713 210.1341       64.89314 221.0432       68.70026 119.8096       197.6816 39.27847 7.502987 29.05355 13.14021 10.22492       15.13143 
1 1 1 18  18 0  o 298.6483 4.078950 10820.67       294.7194 10800.05       416.0276 10841.44       417.5690 298.3635 5.763340 298.9331 5.773669 -0.5696411     8.157901 
1 1 1 18  18 1  o 153.1878 4.035059 2842.882       149.5465 0.000000       0.000000 2842.882       149.5465 ?        ?        153.1878 4.035059 ?              ?        
1 1 1 18  18 2  o 298.1859 4.083823 10770.01       294.2446 11174.20       429.4667 10412.41       403.9537 303.4368 5.850041 292.9351 5.699777 10.50177       8.167645 
1 1 1 18  18 3  o 121.9245 3.869723 1800.930       114.1492 0.000000       0.000000 1800.930       114.1492 ?        ?        121.9245 3.869723 ?              ?        
1 1 1 18  18 4  o 180.9036 4.270839 3966.554       186.9230 0.000000       0.000000 3966.554       186.9230 ?        ?        180.9036 4.270839 ?              ?        
1 1 1 18  18 5  o 332.5616 4.451952 13428.08       357.9298 13807.85       518.5879 13082.58       494.6394 337.0311 6.359897 328.0922 6.231470 8.938934       8.903904 
1 1 1 18  18 6  o 47.67475 4.688457 276.5786       54.03349 274.4557       74.78426 278.8974       78.15705 47.48880 6.509036 47.86070 6.749737 -0.3718948     9.376913 
1 1 1 18  18 7  o 134.1747 2.809820 2183.627       91.17702 2170.327       127.0277 2197.762       130.9493 133.7580 3.925332 134.5914 4.021458 -0.8334503     5.619640 
1 1 1 18  18 8  o 220.3822 3.311406 5901.611       176.4873 5812.832       245.4342 5996.669       253.9659 218.6769 4.639059 222.0874 4.726603 -3.410538      6.622812 
1 1 1 18  18 9  o 187.0995 3.055052 4226.790       137.7633 4647.787       205.9144 3885.658       185.3566 195.4632 4.354311 178.7359 4.286413 16.72725       6.110103 
1 1 1 18  18 10 o 81.73198 3.165626 814.8342       62.57608 792.4249       88.63432 837.1041       88.35822 80.60120 4.545253 82.86275 4.407429 -2.261551      6.331253 
1 1 1 18  18 11 o 28.23948 5.917743 96.73512       47.00829 39.64267       66.45825 153.9016       66.50130 22.06330 8.612342 34.41565 8.118269 -12.35234      11.83549 
1 1 1 18  18 12 o 23.47338 6.286444 53.48798       49.03186 52.61065       69.64755 54.35006       69.03948 23.42233 8.900506 23.52443 8.880230 -0.1020985     12.57289 
1 1 1 18  18 13 o 97.32104 2.983465 1166.844       69.71177 1343.697       99.32278 995.1346       97.86798 104.7122 3.920570 89.92986 4.498155 14.78236       5.966931 
1 1 1 18  18 14 o 34.63268 6.066451 163.9579       50.73479 143.1112       74.92029 181.6147       68.95055 32.40462 9.153068 36.86073 7.964211 -4.456104      12.13290 
1 1 1 18  18 15 o 45.02576 5.295585 267.9252       56.30819 291.8634       80.50509 244.9982       78.78634 47.46670 7.010225 42.58482 7.939119 4.881882       10.59117 
1 1 1 18  18 16 o 63.11998 4.099986 520.3138       61.55434 566.6528       82.68507 462.7079       92.19061 66.74432 5.120478 59.49564 6.404705 7.248680       8.199972 
1 1 1 18  18 17 o 20.18858 6.248921 12.99731       60.01389 49.97997       80.72401 -32.70180      89.73412 22.06756 9.170979 18.30959 8.490535 3.757977       12.49784 
1 1 1 18  20 0  o 248.0218 3.592595 7442.240       215.1602 7815.881       316.5252 7121.292       293.3586 253.7802 5.155233 242.2635 5.005051 11.51669       7.185191 
1 1 1 18  20 1  o 79.18285 4.801333 760.6609       91.98041 760.6609       91.98041 0.000000       0.000000 79.18285 4.801333 ?        ?        ?              ?        
1 1 1 18  20 2  o 211.0979 3.278928 5405.270       167.4466 5501.335       238.5972 5312.037       235.0530 212.9465 4.631189 209.2492 4.643011 3.697296       6.557855 
1 1 1 18  20 3  o 30.10007 6.378264 111.0381       50.20169 128.2865       73.56463 96.00476       68.67876 31.96430 9.084295 28.23584 8.955702 3.728462       12.75653 
1 1 1 18  20 4  o 159.5219 2.918705 3073.293       112.3448 2897.661       152.2307 3283.352       166.4834 154.5464 4.071376 164.4973 4.183211 -9.950943      5.837410 
1 1 1 18  20 5  o 139.6457 2.823385 2364.514       95.34610 2449.469       137.2513 2285.279       132.5510 142.0677 3.993181 137.2237 3.992560 4.843964       5.646771 
1 1 1 18  20 6  f 134.4003 2.835986 2193.842       92.17992 2271.039       130.6694 2117.368       130.0570 136.7620 3.949172 132.0385 4.071277 4.723511       5.671971 
1 1 1 18  20 7  o 23.43154 7.138613 -0.7256518     64.50227 -5.996205      74.49468 15.06246       128.9325 19.77751 8.535802 27.08557 11.44462 -7.308060      14.27723 
1 1 1 18  20 8  o 89.18983 3.118864 969.7347       67.04040 967.8096       99.19505 971.3534       90.95840 89.07849 4.602723 89.30119 4.210011 -0.2226944     6.237728 
1 1 1 18  20 9  o 78.05090 3.237835 745.9158       60.98632 804.0522       86.06118 687.2728       86.43539 81.14476 4.383737 74.95705 4.766250 6.187706       6.475669 
1 1 1 18  20 10 o 61.60535 3.803467 469.7808       56.27065 529.6914       79.11312 408.4388       80.05264 65.67928 4.978722 57.53143 5.751328 8.147842       7.606934 
1 1 1 18  20 11 o 113.8085 2.991043 1588.229       82.30888 1652.830       116.5565 1523.969       116.2488 116.1465 4.147899 111.4705 4.310486 4.675980       5.982086 
1 1 1 18  20 12 o 49.16371 4.768869 306.5629       56.35443 327.2037       77.36192 283.2271       82.25759 51.07613 6.260470 47.25130 7.195482 3.824825       9.537739 
1 1 1 18  20 13 o 76.73288 3.519115 731.8565       65.16352 807.7221       94.24436 662.3641       90.19895 80.59827 4.833117 72.86749 5.116410 7.730782       7.038229 
1 1 1 18  20 14 o 25.90120 6.694604 82.50148       55.52485 58.19857       79.85150 105.2529       77.26056 23.87415 9.404168 27.92825 9.530609 -4.054104      13.38921 
1 1 1 18  20 15 o 26.86637 6.926154 99.34488       58.51649 106.0967       82.89665 92.63903       82.61369 27.46288 9.835509 26.26986 9.754445 1.193026       13.85231 
1 1 1 18  20 16 o 56.25398 5.013651 439.9341       67.79084 458.4057       92.51034 418.5115       99.62609 58.02002 6.590374 54.48794 7.557365 3.532082       10.02730 
1 1 1 18  22 0  o 106.0515 2.981507 1366.017       76.47895 1341.507       108.7051 1390.038       107.6182 105.1037 4.274937 106.9992 4.157218 -1.895500      5.963015 
1 1 1 18  22 1  o 26.45763 4.778186 18.53406       48.80595 -161.6280      68.11015 208.6782       69.97157 12.23824 6.068949 40.67701 7.381877 -28.43878      9.556373 
1 1 1 18  22 2  o 127.8386 2.879678 1984.635       89.05915 1998.839       126.8470 1970.827       125.0691 128.2879 4.086885 127.3893 4.058024 0.8985596      5.759357 
1 1 1 18  22 3  f 39.03913 5.542699 190.3048       51.39339 275.0948       75.95573 118.7080       69.79671 47.40813 6.622248 30.67014 8.889989 16.73799       11.08540 
1 1 1 18  22 4  o 64.25832 3.776534 502.6269       58.56021 521.3607       86.55649 486.8140       79.52313 65.34519 5.474994 63.17144 5.203198 2.173756       7.553068 
1 1 1 18  22 5  o 126.7697 2.848385 1932.127       86.83019 2224.537       131.1730 1704.068       115.8437 135.2076 4.009968 118.3318 4.046399 16.87583       5.696770 
1 1 1 18  22 6  o 92.76518 2.987267 1044.982       66.89034 1111.044       98.77657 989.0272       90.90710 95.45332 4.277210 90.07706 4.171395 5.376259       5.974535 
1 1 1 18  22 7  o 123.7826 2.935659 1867.235       87.77290 1919.154       128.4993 1821.822       120.1774 125.3704 4.236463 122.1948 4.065066 3.175583       5.871318 
1 1 1 18  22 8  o 77.30595 3.546845 734.1653       66.32757 732.2303       94.53813 736.0413       93.08151 77.19477 5.061938 77.41712 4.969631 -0.2223511     7.093691 
1 1 1 18  22 9  o 33.37833 6.239303 148.0442       54.38344 212.1003       75.55013 79.15999       78.34563 40.30212 8.030249 26.45453 9.551476 13.84758       12.47861 
1 1 1 18  22 10 o 25.49995 6.656265 71.07998       54.77847 87.94952       75.45180 52.27813       79.65598 26.93466 9.407643 24.06523 9.419114 2.869429       13.31253 
1 1 1 18  22 11 o 57.49762 4.535995 417.1716       62.71170 358.7038       86.69699 481.3359       90.82222 53.14930 6.742240 61.84594 6.069860 -8.696636      9.071989 
1 1 1 18  22 12 o 37.31024 6.748020 195.0139       61.06853 182.1985       83.34502 209.8703       89.73663 36.02602 9.446227 38.59446 9.639080 -2.568443      13.49604 
1 1 1 18  22 13 o 38.33549 6.742847 213.2121       62.79086 178.5164       88.77728 247.9430       88.82210 34.86276 10.00334 41.80823 9.044173 -6.945469      13.48569 
1 1 1 18  22 14 o 35.23042 6.523671 189.5136       63.82941 295.6350       88.66886 75.37357       91.95781 45.47328 8.367926 24.98756 10.01054 20.48572       13.04734 
1 1 1 18  22 15 o 61.48256 5.073242 539.1467       73.76838 615.5800       100.8473 451.1820       108.1875 67.34784 6.189255 55.61729 8.040165 11.73055       10.14648 
1 1 1 18  24 0  o 46.53510 5.224073 270.9315       56.05847 357.2392       82.72016 197.6285       76.23377 53.89973 6.343405 39.17048 8.302106 14.72926       10.44815 
1 1 1 18  24 1  o 161.0724 2.981794 3148.950       115.9408 3379.477       170.9615 2952.645       157.7626 166.4994 4.244078 155.6454 4.189533 10.85405       5.963588 
1 1 1 18  24 2  o 110.9501 2.953478 1499.547       79.23866 1562.100       114.0955 1441.265       110.1305 113.1851 4.166552 108.7151 4.187120 4.470047       5.906956 
1 1 1 18  24 3  f 54.39838 4.373837 361.2823       57.20536 396.4650       87.03642 334.5250       75.90280 56.68026 6.346976 52.11650 6.019775 4.563759       8.747674 
1 1 1 18  24 4  o 54.83479 4.410065 381.2594       56.75954 319.2084       86.85516 427.5107       74.98655 50.67025 7.085007 58.99934 5.253321 -8.329086      8.820130 
1 1 1 18  24 5  o 134.2186 2.906982 2191.588       94.14112 2342.615       139.5620 2065.493       127.5225 138.4227 4.167325 130.0145 4.054082 8.408203       5.813964 
1 1 1 18  24 6  o 72.76797 3.627878 640.1990       63.27781 757.0334       97.51547 555.2219       83.16470 78.39420 5.141470 67.14175 5.119695 11.25245       7.255756 
1 1 1 18  24 7  o 24.72180 6.779840 53.96632       57.80075 76.66648       87.70587 36.53751       76.85074 26.78753 10.03000 22.65607 9.124906 4.131453       13.55968 
1 1 1 18  24 8  o 41.47379 6.418162 230.0604       64.50533 162.0317       90.58215 300.0529       91.88035 34.51328 10.16322 48.43429 7.840927 -13.92101      12.83632 
1 1 1 18  24 9  o 30.32794 7.017992 121.4149       59.57998 102.4657       82.02900 142.5742       86.68095 28.34346 9.814215 32.31243 10.03444 -3.968967      14.03598 
1 1 1 18  24 10 o 56.77293 4.555732 411.9095       62.48739 425.3690       87.17758 397.6872       89.61379 57.82372 6.231556 55.72214 6.647292 2.101585       9.111465 
1 1 1 18  24 11 o 23.29666 6.693729 45.65306       60.01490 17.88988       86.16358 71.81405       83.64041 21.49694 9.227940 25.09638 9.698927 -3.599445      13.38746 
1 1 1 18  24 12 o 76.08800 3.984717 746.6161       72.88743 745.7734       97.86140 747.6660       109.2298 76.31239 5.300467 75.86362 5.951213 0.4487686      7.969435 
1 1 1 18  24 13 o 41.61068 6.840002 266.9810       67.95385 212.6181       91.77480 332.9575       101.1036 36.37258 10.08025 46.84877 9.248304 -10.47619      13.68000 
1 1 1 18  26 0  o 25.70114 6.532563 58.09761       54.54873 126.2818       84.09438 8.568408       71.67303 31.29674 9.908195 20.10555 8.516172 11.19119       13.06513 
1 1 1 18  26 1  o 89.87701 3.293648 988.3760       71.46766 1051.630       105.3322 934.4152       97.28754 92.51755 4.705813 87.23648 4.609531 5.281067       6.587296 
1 1 1 18  26 2  o 21.35754 6.361838 14.93476       55.13964 13.26249       87.34180 16.04288       71.09916 22.19117 9.400414 20.52390 8.574622 1.667274       12.72368 
1 1 1 18  26 3  o 56.16745 4.551626 390.2278       61.46635 456.1608       91.82801 336.7066       82.73451 60.46661 6.277074 51.86829 6.592990 8.598312       9.103251 
1 1 1 18  26 4  f 148.3567 3.012891 2698.698       107.9712 2804.342       158.1651 2606.503       147.7547 151.0329 4.328492 145.6804 4.192159 5.352524       6.025782 
1 1 1 18  26 5  o 87.60036 3.351611 935.9097       70.40096 1042.077       108.7576 859.3375       92.36325 91.75619 4.899163 83.44452 4.575084 8.311668       6.703222 
1 1 1 18  26 6  o 60.12245 4.505345 464.5358       64.16440 401.7484       96.50784 514.2791       85.90001 56.10453 7.109880 64.14037 5.535533 -8.035839      9.010690 
1 1 1 18  26 7  o 38.68841 6.306199 205.5666       57.62033 204.8051       85.86633 206.1904       77.71672 38.43106 9.328983 38.94575 8.487795 -0.5146866     12.61240 
1 1 1 18  26 8  o 23.53387 7.200949 3.621508       80.26931 -103.6645      129.8528 69.97025       102.1166 20.73688 9.804868 26.33087 10.54890 -5.593996      14.40190 
1 1 1 18  26 9  o 37.79844 6.841059 211.8013       64.75142 266.2561       88.70047 149.6752       94.74253 43.60432 8.712796 31.99256 10.54929 11.61176       13.68212 
1 1 1 18  26 10 o 50.52562 8.186480 403.2738       97.89671 451.1600       143.9287 362.0464       133.5472 53.55307 11.45517 47.49816 11.69841 6.054909       16.37296 
1 1 1 18  26 11 o 35.29561 9.095675 205.2741       97.87006 354.5509       169.5165 130.6365       119.8656 41.73677 14.11778 28.85445 11.47228 12.88232       18.19135 
1 1 1 18  28 0  f 30.17743 7.081954 116.0145       61.25364 159.5680       91.58121 80.75907       82.39640 33.96522 10.27113 26.38965 9.752958 7.575567       14.16391 
1 1 1 18  28 1  o 115.8905 3.139341 1655.422       87.85913 1777.130       128.9056 1549.829       120.0678 119.8506 4.445589 111.9304 4.433801 7.920189       6.278682 
1 1 1 18  28 2  o 114.6505 3.161697 1625.472       87.60729 1694.282       127.5284 1563.979       120.5562 116.9215 4.508273 112.3794 4.434048 4.542061       6.323394 
1 1 1 18  28 3  o 31.23815 7.257497 68.06487       74.36196 277.0970       123.8157 -49.87508      93.00358 43.44226 11.57263 19.03404 8.761246 24.40822       14.51499 
1 1 1 18  28 4  o 30.28324 7.873178 89.46349       75.39462 212.1356       131.1755 28.94706       92.13329 37.60108 12.41370 22.96539 9.687502 14.63569       15.74636 
1 1 1 19  1  0  o 314.5428 4.145737 11974.04       315.4441 12115.36       450.7443 11838.39       441.6068 316.3604 5.889057 312.7253 5.836741 3.635162       8.291474 
1 1 1 19  1  1  f 546.9662 6.839789 36199.00       904.0934 35239.32       1243.479 37275.24       1316.834 539.2996 9.530287 554.6329 9.813484 -15.33325      13.67958 
1 1 1 19  1  2  o 617.1440 7.681882 45899.78       1141.916 48773.18       1714.627 43609.49       1530.790 634.3735 11.17178 599.9146 10.54688 34.45886       15.36376 
1 1 1 19  1  3  o 959.7963 11.80149 111828.9       2740.045 110797.9       3836.830 112901.9       3914.350 955.3013 16.60083 964.2913 16.77834 -8.989990      23.60297 
1 1 1 19  1  4  o 799.9669 9.878892 77481.27       1909.145 79959.36       2792.278 75305.87       2616.192 811.9210 14.21486 788.0128 13.72253 23.90814       19.75778 
1 1 1 19  1  5  o 96.36568 2.171335 1123.500       50.62291 1119.974       71.39391 1127.065       71.79095 96.21363 3.067060 96.51772 3.074399 -0.3040924     4.342670 
1 1 1 19  1  6  o 505.8815 6.357586 30993.60       777.8952 31441.54       1116.168 30570.54       1084.726 509.4289 9.056151 502.3341 8.925343 7.094757       12.71517 
1 1 1 19  1  7  o 323.9886 4.263693 12711.65       334.2070 12688.87       471.6913 12734.61       473.5945 323.6976 6.023046 324.2797 6.036491 -0.5821533     8.527386 
1 1 1 19  1  8  o 149.1396 2.901695 2799.403       92.98145 2939.233       110.3398 2456.871       172.6964 155.8465 2.926393 142.4326 5.011543 13.41389       5.803391 
1 1 1 19  1  9  o 330.6495 5.337002 13301.05       403.5659 13367.82       496.2876 13170.73       693.3801 332.0574 6.177574 329.2417 8.704709 2.815674       10.67400 
1 1 1 19  1  10 o 275.2993 4.568182 9294.263       290.8251 9546.505       364.2465 8850.685       483.0273 280.6342 5.364787 269.9644 7.395420 10.66974       9.136365 
1 1 1 19  1  11 o 70.48090 2.834349 624.0858       40.94131 645.3983       47.21996 559.5479       82.17042 73.02109 2.672852 67.94070 4.999000 5.080383       5.668698 
1 1 1 19  1  12 o 141.8984 2.947550 2436.672       86.68777 2433.646       99.55334 2446.163       176.3037 141.7790 2.902295 142.0178 5.131169 -0.2387543     5.895101 
1 1 1 19  1  13 o 108.9862 2.976865 1426.219       73.27938 1401.960       88.56373 1478.882       130.4870 107.5741 3.402875 110.3984 4.885420 -2.824364      5.953729 
1 1 1 19  1  14 o 162.2516 2.700741 3183.107       105.8351 3385.811       155.2396 3007.076       144.6661 167.0593 3.840869 157.4438 3.797859 9.615555       5.401483 
1 1 1 19  1  15 o 94.45953 2.501298 1081.659       57.04398 1183.937       82.35732 987.3425       79.08678 98.75359 3.447045 90.16548 3.625445 8.588112       5.002596 
1 1 1 19  1  16 o 202.9790 3.068787 5016.168       150.4836 4813.226       206.1284 5247.765       220.1997 198.6141 4.289685 207.3439 4.389580 -8.729828      6.137574 
1 1 1 19  1  17 o 19.43592 5.334211 28.15774       37.02946 4.023451       53.05892 51.07390       51.70256 17.23363 7.315057 21.63821 7.765640 -4.404575      10.66842 
1 1 1 19  1  18 o 32.90028 5.226779 139.5835       42.39175 198.4803       61.72169 86.99168       58.32444 39.75620 6.416980 26.04437 8.252228 13.71182       10.45356 
1 1 1 19  1  19 o 70.11553 3.264705 610.9520       55.26624 664.6134       79.16983 559.9481       77.18452 73.17593 4.471870 67.05514 4.757687 6.120789       6.529410 
1 1 1 19  1  20 o 24.31677 6.597771 70.28400       54.48616 73.66438       76.38074 66.78156       77.74757 24.57027 9.324632 24.06326 9.336679 0.5070114      13.19554 
1 1 1 19  3  0  o 700.2946 10.09701 58805.32       1453.059 58162.82       1658.449 60928.02       3014.472 692.8109 9.894299 707.7784 17.60401 -14.96753      20.19402 
1 1 1 19  3  1  o 409.0257 6.050575 20164.84       515.0489 20072.41       592.1323 20452.11       1043.945 407.2296 6.010036 410.8218 10.50320 -3.592255      12.10115 
1 1 1 19  3  2  o 698.8876 10.04745 58762.03       1452.344 58312.25       1663.741 60202.26       2977.158 693.8188 9.911451 703.9564 17.48050 -10.13751      20.09489 
1 1 1 19  3  3  o 508.6411 7.412578 31059.25       779.6848 30801.79       892.8953 31885.78       1599.863 504.4295 7.316405 512.8526 12.89401 -8.423126      14.82516 
1 1 1 19  3  4  o 607.1741 8.766292 44343.55       1101.766 44023.11       1262.691 45365.86       2255.323 602.9454 8.655993 611.4028 15.24681 -8.457397      17.53258 
1 1 1 19  3  5  o 305.2914 4.707206 11127.69       296.1435 10990.26       338.2576 11578.82       612.8494 301.3653 4.639295 309.2175 8.191954 -7.852142      9.414412 
1 1 1 19  3  6  o 142.3306 2.852506 2482.168       85.40487 2514.549       99.14875 2389.054       168.1333 144.1642 2.842676 140.4969 4.946348 3.667297       5.705012 
1 1 1 19  3  7  o 508.1678 7.488815 30550.38       767.8931 29920.63       867.6764 32825.70       1649.283 496.9042 7.217434 519.4315 13.12395 -22.52734      14.97763 
1 1 1 19  3  8  f 423.0409 6.242269 21689.31       638.8915 21689.31       638.8915 0.000000       0.000000 423.0409 6.242269 ?        ?        ?              ?        
1 1 1 19  3  9  o 148.2591 3.118944 2681.336       105.0838 2719.222       128.7087 2605.592       181.9885 149.8720 3.549647 146.6462 5.129449 3.225723       6.237887 
1 1 1 19  3  10 f 189.9220 3.333137 4419.785       133.3190 4471.991       154.8294 4270.078       262.1883 192.1930 3.329764 187.6510 5.775109 4.542084       6.666274 
1 1 1 19  3  11 o 93.95058 2.678849 1031.832       51.66819 1000.525       58.67591 1139.917       109.0235 90.91714 2.667545 96.98402 4.646410 -6.066887      5.357697 
1 1 1 19  3  12 o 87.67398 2.848578 893.7164       50.06932 865.8218       56.29030 999.4052       109.5690 84.56895 2.751188 90.77901 4.988843 -6.210068      5.697156 
1 1 1 19  3  13 o 93.16171 3.050840 1110.959       56.68536 1160.948       64.86104 949.3159       116.6331 97.91499 2.737993 88.40842 5.452878 9.506569       6.101679 
1 1 1 19  3  14 o 86.09594 3.051136 887.1458       51.65541 878.0134       57.93640 922.5461       114.0681 85.12568 2.813122 87.06620 5.415171 -1.940521      6.102273 
1 1 1 19  3  15 o 63.48869 3.850609 539.7042       46.27728 574.3548       52.35636 415.9429       98.94777 68.79681 3.145566 58.18056 7.029521 10.61625       7.701218 
1 1 1 19  3  16 o 39.37260 4.987304 151.6810       37.24767 126.7456       40.71972 279.4765       92.18382 32.15329 5.234522 46.59191 8.490736 -14.43862      9.974608 
1 1 1 19  3  17 o 63.33178 3.071939 492.0409       47.00647 516.8395       66.13062 466.7156       66.82926 64.97172 4.207033 61.69183 4.477511 3.279884       6.143878 
1 1 1 19  3  18 o 54.35503 3.797965 368.6620       49.28901 444.2202       70.73442 297.3469       68.71960 59.91817 4.879440 48.79188 5.821445 11.12629       7.595930 
1 1 1 19  3  19 o 31.29945 5.949010 135.1807       47.74932 89.65633       68.69637 177.7338       66.41677 26.31116 8.986835 36.28773 7.797416 -9.976572      11.89802 
1 1 1 19  3  20 o 29.04572 6.675163 120.2202       53.98311 143.6824       79.18620 99.84851       73.78677 31.26529 9.571356 26.82615 9.307006 4.439137       13.35033 
1 1 1 19  5  0  o 965.4915 16.86013 113576.5       3935.162 111124.3       5436.180 116276.0       5703.776 954.6538 23.53671 976.3292 24.14704 -21.67542      33.72026 
1 1 1 19  5  1  o 897.6664 13.59646 97473.80       2761.608 96591.59       3349.766 99345.63       4879.329 892.1332 15.51967 903.1997 22.32924 -11.06653      27.19293 
1 1 1 19  5  2  o 714.4315 8.837484 61856.06       1527.264 61205.23       2135.822 62537.06       2184.765 710.5953 12.42340 718.2676 12.57234 -7.672363      17.67497 
1 1 1 19  5  4  o 535.7506 6.711119 34765.87       869.8106 35027.59       1239.621 34512.04       1220.792 537.7337 9.528383 533.7675 9.453379 3.966248       13.42224 
1 1 1 19  5  5  o 596.7759 8.604816 43120.35       1072.493 43043.25       1236.102 43355.15       2157.103 596.1064 8.570938 597.4455 14.92349 -1.339111      17.20963 
1 1 1 19  5  6  o 136.7816 2.937105 2191.946       80.37255 2138.359       90.41325 2393.813       175.4818 132.9408 2.811069 140.6224 5.157929 -7.681610      5.874210 
1 1 1 19  5  7  o 167.4907 3.318051 3374.735       125.5784 3336.228       152.0200 3457.466       222.8248 166.0221 3.784710 168.9593 5.451039 -2.937164      6.636102 
1 1 1 19  5  8  o 255.6350 4.087554 7921.147       218.4946 7923.009       252.0858 7915.527       438.0856 255.8098 4.073137 255.4603 7.088156 0.3494568      8.175108 
1 1 1 19  5  9  o 217.6228 3.667119 5623.835       162.8145 5527.728       184.9499 5954.789       343.2107 213.6753 3.577647 221.5704 6.402459 -7.895142      7.334237 
1 1 1 19  5  10 o 394.0622 5.880436 18899.00       485.5507 18912.78       560.9745 18857.82       969.5018 394.8764 5.871913 393.2480 10.19013 1.628418       11.76087 
1 1 1 19  5  11 o 299.7521 4.688527 10734.67       287.5478 10583.19       327.3179 11246.88       601.8820 295.5036 4.578306 304.0007 8.183413 -8.497131      9.377053 
1 1 1 19  5  12 o 156.5362 3.171634 2975.034       101.3547 2978.821       115.6832 2962.522       210.2548 156.8432 3.048611 156.2292 5.562644 0.6140289      6.343267 
1 1 1 19  5  13 o 236.8734 3.957105 6735.235       191.7196 6662.646       218.3895 6979.179       400.3488 234.4212 3.850636 239.3255 6.914283 -4.904312      7.914209 
1 1 1 19  5  14 o 84.26541 3.230649 850.4771       52.07270 842.6376       57.88142 883.7597       119.2624 83.38276 2.869198 85.14806 5.789307 -1.765297      6.461298 
1 1 1 19  5  15 o 76.42783 3.515392 703.4377       50.23389 698.0529       55.48800 727.9001       118.2670 75.83962 3.024131 77.01604 6.347169 -1.176422      7.030784 
1 1 1 19  5  16 o 95.99292 3.251976 1109.067       59.91862 1097.483       66.68127 1157.644       136.5497 95.03584 2.900108 96.95000 5.821577 -1.914169      6.503952 
1 1 1 19  5  17 o 60.09682 4.284663 445.1799       48.57962 443.0845       53.89774 454.2534       112.1584 60.21868 3.699449 59.97496 7.729646 0.2437172      8.569326 
1 1 1 19  5  18 o 52.18607 4.854355 298.8311       49.13871 271.0284       54.07140 430.6960       117.7575 46.78653 4.776881 57.58560 8.452247 -10.79907      9.708711 
1 1 1 19  5  19 o 27.63678 6.135415 103.6009       45.68954 103.1823       65.02077 104.0092       64.21628 27.59352 8.709891 27.68004 8.643556 -0.8651924E-01 12.27083 
1 1 1 19  5  20 o 37.26819 6.183012 202.6569       54.54991 189.4474       82.91378 212.7383       72.43425 35.65177 9.457276 38.88462 7.967339 -3.232849      12.36602 
1 1 1 19  7  0  o 263.5709 3.625884 8404.613       231.1807 8516.896       330.3760 8296.884       323.6069 265.2951 5.147270 261.8467 5.108204 3.448364       7.251768 
1 1 1 19  7  1  o 565.3148 7.064252 38628.19       964.5181 37383.62       1318.316 40061.72       1414.866 555.5511 9.808284 575.0785 10.16918 -19.52740      14.12850 
1 1 1 19  7  2  o 587.8856 7.331969 41872.06       1042.834 41896.35       1475.895 41847.84       1473.689 588.0554 10.37373 587.7158 10.36421 0.3396606      14.66394 
1 1 1 19  7  3  o 451.8533 6.986848 24955.13       730.3312 23973.83       1215.161 25510.04       913.7858 444.7320 11.29362 458.9747 8.229119 -14.24274      13.97370 
1 1 1 19  7  4  o 647.9664 8.052313 50901.79       1262.156 50382.54       1766.989 51442.72       1803.488 644.6008 11.33028 651.3320 11.44481 -6.731140      16.10463 
1 1 1 19  7  5  o 284.9155 5.444915 9827.288       375.3268 9827.288       375.3268 0.000000       0.000000 284.9155 5.444915 ?        ?        ?              ?        
1 1 1 19  7  6  f 177.7942 2.782407 3823.862       119.6488 3923.963       171.7728 3729.522       166.7565 180.0528 3.943230 175.5356 3.926587 4.517258       5.564814 
1 1 1 19  7  7  o 337.2848 4.423772 13786.93       360.9625 13892.68       514.1310 13684.13       506.9020 338.5580 6.276803 336.0116 6.235445 2.546356       8.847544 
1 1 1 19  7  8  o 268.9198 4.310286 8461.778       232.6564 8231.778       261.9245 9321.832       506.4951 260.7248 4.152326 277.1148 7.554630 -16.38998      8.620571 
1 1 1 19  7  9  o 404.3607 5.959057 20277.09       519.2338 20779.86       613.0188 19000.60       976.7835 413.8987 6.121777 394.8228 10.22572 19.07593       11.91811 
1 1 1 19  7  10 o 99.15007 2.923684 1170.593       56.55698 1156.883       63.22892 1225.461       126.4949 97.76395 2.673220 100.5362 5.200538 -2.772224      5.847367 
1 1 1 19  7  11 o 178.3700 3.318689 3841.945       121.8684 3828.386       139.4476 3885.782       250.7371 177.8068 3.241608 178.9332 5.791957 -1.126373      6.637379 
1 1 1 19  7  12 o 206.8731 3.644461 5159.007       154.1336 5128.732       175.7311 5259.964       320.9048 205.7469 3.530313 207.9994 6.376933 -2.252518      7.288922 
1 1 1 19  7  13 o 138.7246 3.217314 2428.249       89.63589 2506.765       102.4764 2172.516       184.9426 143.8383 2.944740 133.6110 5.721271 10.22737       6.434628 
1 1 1 19  7  14 o 31.18682 5.842792 138.4825       36.69136 150.3093       39.20024 54.86020       104.2355 35.14911 4.609694 27.22453 10.73795 7.924585       11.68558 
1 1 1 19  7  15 o 27.70279 5.605673 -5.981510      35.51871 -41.39117      37.86439 253.5396       102.5077 11.32824 5.337319 44.07734 9.859376 -32.74910      11.21135 
1 1 1 19  7  16 o 80.65996 3.629774 844.7589       54.22016 872.8305       60.41224 728.4949       122.9458 84.72260 2.947293 76.59731 6.634343 8.125298       7.259548 
1 1 1 19  7  17 o 44.23605 5.770834 265.9006       45.31936 272.7021       49.97083 234.3843       107.5676 47.10967 4.384340 41.36243 10.67650 5.747238       11.54167 
1 1 1 19  7  18 o 31.01123 6.862878 106.7272       45.24566 93.62794       49.30028 176.6806       113.9277 26.57417 7.396470 35.44829 11.56238 -8.874117      13.72576 
1 1 1 19  7  19 o 36.20180 6.932402 177.3864       51.37656 172.0940       56.35180 203.4503       125.0550 35.95929 6.724525 36.44431 12.12491 -0.4850197     13.86480 
1 1 1 19  7  20 o 29.84343 7.319194 103.9738       88.68758 263.8905       112.1656 -162.7603      144.8612 40.21312 11.14372 19.47373 9.492096 20.73940       14.63839 
1 1 1 19  9  0  f 144.7873 2.606575 2535.699       91.29337 2584.203       130.4348 2489.120       127.8215 146.1442 3.689010 143.4304 3.683497 2.713760       5.213151 
1 1 1 19  9  1  o 247.6470 4.943203 7421.833       296.1718 7421.833       296.1718 0.000000       0.000000 247.6470 4.943203 ?        ?        ?              ?        
1 1 1 19  9  2  f 327.1819 4.328920 12945.81       342.4192 12648.59       473.4975 13271.66       495.7782 323.2514 6.054453 331.1124 6.188845 -7.860992      8.657841 
1 1 1 19  9  3  o 380.8788 4.931494 17396.06       451.0555 16253.25       595.6635 18932.14       690.5891 366.3725 6.720100 395.3850 7.219335 -29.01245      9.862988 
1 1 1 19  9  4  o 659.4885 8.203920 52810.16       1308.781 53359.36       1870.335 52283.22       1832.050 662.8339 11.66306 656.1431 11.54081 6.690735       16.40784 
1 1 1 19  9  5  o 210.6817 3.119409 5364.221       158.8525 5594.708       230.8131 5156.802       218.9581 214.9730 4.437865 206.3904 4.384996 8.582626       6.238817 
1 1 1 19  9  6  o 277.1299 3.778098 9302.035       253.2805 9204.056       354.7116 9403.959       361.7783 275.6431 5.318951 278.6168 5.367016 -2.973724      7.556196 
1 1 1 19  9  7  o 396.3398 5.111340 19028.12       489.4837 19699.24       714.6991 18435.22       671.7633 402.8923 7.332160 389.7872 7.123385 13.10516       10.22268 
1 1 1 19  9  8  o 388.8875 6.135966 18600.46       553.6318 19166.68       696.9763 17632.36       911.3559 397.3098 7.250809 380.4651 9.900812 16.84464       12.27193 
1 1 1 19  9  9  o 35.16001 4.030281 152.8590       33.33380 168.3898       46.76907 136.8239       47.52218 37.26912 5.186892 33.05090 6.169991 4.218220       8.060561 
1 1 1 19  9  10 o 92.15228 2.466440 1027.535       54.96429 989.7524       76.48589 1067.882       79.03949 90.40184 3.497049 93.90273 3.479074 -3.500893      4.932880 
1 1 1 19  9  11 o 390.3964 5.922145 18284.46       472.6476 18030.62       537.9760 19143.37       989.5887 385.3531 5.770344 395.4397 10.34361 -10.08652      11.84429 
1 1 1 19  9  12 o 182.9101 3.479923 4054.124       129.4535 4047.234       147.4203 4077.335       270.5795 182.7556 3.334143 183.0646 6.109252 -0.3090363     6.959847 
1 1 1 19  9  13 o 30.70793 6.024230 129.4028       39.28746 141.4316       42.12373 48.99464       108.9092 34.09287 5.106943 27.32299 10.91259 6.769878       12.04846 
1 1 1 19  9  14 o 57.72530 4.536787 405.4175       44.61151 404.0391       48.23865 413.5634       117.2650 57.67474 3.457062 57.77585 8.389187 -0.1011086     9.073573 
1 1 1 19  9  15 o 98.59265 3.591447 1267.396       65.11576 1313.592       72.46817 1073.766       148.3661 103.9879 2.880464 93.19744 6.580037 10.79041       7.182893 
1 1 1 19  9  16 o 72.45481 3.716338 600.5715       49.44170 577.2526       53.98671 721.8323       123.1100 68.82961 3.241972 76.08002 6.688370 -7.250412      7.432676 
1 1 1 19  9  17 o 119.4882 3.391786 1806.872       79.69319 1839.326       90.13648 1690.660       170.5675 122.7722 3.034578 116.2042 6.066975 6.568008       6.783572 
1 1 1 19  9  18 o 34.66948 6.559493 163.3144       47.57203 165.3513       52.10966 153.1231       116.5595 36.13755 5.960150 33.20140 11.68693 2.936157       13.11899 
1 1 1 19  9  19 o 49.90023 6.316439 372.2933       56.45364 387.5364       62.92977 309.4586       127.7670 55.46864 4.689281 44.33182 11.73031 11.13682       12.63288 
1 1 1 19  9  20 o 42.78107 7.664918 351.7086       97.37697 475.6693       120.9999 123.8549       164.0481 56.76977 8.809789 28.79237 12.54558 27.97741       15.32984 
1 1 1 19  11 0  o 128.7257 3.692206 2005.123       114.9882 2005.123       114.9882 0.000000       0.000000 128.7257 3.692206 ?        ?        ?              ?        
1 1 1 19  11 1  o 471.0341 5.974514 26889.09       680.8381 27030.25       967.4738 26750.59       958.2928 472.2568 8.467566 469.8113 8.430871 2.445526       11.94903 
1 1 1 19  11 2  o 369.2426 4.811304 16491.93       429.3181 16024.66       590.3082 17016.60       625.5152 363.7063 6.708504 374.7789 6.898592 -11.07263      9.622608 
1 1 1 19  11 3  o 212.0857 3.150188 5436.896       161.4778 5265.159       222.3520 5628.549       234.8919 208.5491 4.406872 215.6223 4.502690 -7.073212      6.300376 
1 1 1 19  11 4  o 160.6310 2.732795 3123.534       106.1984 3136.775       149.6560 3110.103       150.7242 160.9745 3.842684 160.2874 3.886701 0.6871033      5.465590 
1 1 1 19  11 5  o 125.5406 3.601176 1907.858       109.3783 1907.858       109.3783 0.000000       0.000000 125.5406 3.601176 ?        ?        ?              ?        
1 1 1 19  11 6  o 226.8016 3.287113 6229.229       180.3342 6147.241       252.0157 6315.262       258.1575 225.2743 4.623955 228.3290 4.673275 -3.054642      6.574227 
1 1 1 19  11 7  o 209.0615 3.114340 5290.898       157.4449 5184.138       218.5337 5406.121       227.0306 206.8727 4.366293 211.2503 4.442065 -4.377579      6.228680 
1 1 1 19  11 8  o 56.59820 3.523966 375.2932       47.13137 449.1374       77.45676 331.8768       59.39199 60.86476 5.260065 52.33165 4.690954 8.533112       7.047931 
1 1 1 19  11 9  o 200.5231 3.048432 4872.516       147.8906 4873.102       208.7826 4871.926       209.5171 200.5359 4.303283 200.5104 4.318971 0.2548218E-01  6.096864 
1 1 1 19  11 10 o 209.8434 3.147554 5324.671       159.5658 5591.277       233.4810 5091.018       218.5760 214.7553 4.493713 204.9314 4.408508 9.823883       6.295109 
1 1 1 19  11 11 o 138.6851 2.646566 2330.694       88.77721 2306.228       123.8934 2356.513       127.2748 137.9395 3.712421 139.4307 3.772955 -1.491211      5.293133 
1 1 1 19  11 12 o 127.1545 2.587861 1961.291       79.59850 1964.959       111.6282 1957.497       113.5346 127.2787 3.625065 127.0302 3.694185 0.2484665      5.175722 
1 1 1 19  11 13 o 16.36095 5.464487 -30.36911      37.24749 -20.49946      39.60094 -106.0797      109.6814 13.09123 5.904660 19.63067 9.196599 -6.539438      10.92897 
1 1 1 19  11 14 o 36.07239 6.430199 129.9908       40.68095 115.8718       43.37749 233.0755       117.2089 30.16754 6.151757 41.97725 11.29361 -11.80971      12.86040 
1 1 1 19  11 15 o 77.19371 4.310567 797.6635       57.25162 827.2830       62.76428 650.9221       139.7013 82.44619 3.146586 71.94123 8.026390 10.50496       8.621134 
1 1 1 19  11 16 o 61.26264 5.509910 530.3432       52.58400 551.2072       57.11057 414.1582       134.7698 67.16010 3.514819 55.36519 10.44425 11.79491       11.01982 
1 1 1 19  11 17 o 69.65239 4.668046 640.8383       56.34720 653.3292       61.64499 577.3944       138.9300 72.98630 3.491035 66.31849 8.658829 6.667809       9.336093 
1 1 1 19  11 18 o 34.79404 7.189022 139.7518       50.75126 119.7953       55.26234 247.2338       128.2492 29.59234 7.659397 39.99575 12.16806 -10.40341      14.37804 
1 1 1 19  11 19 o 22.27880 6.566850 47.80642       54.45879 67.78413       59.65928 -52.02855      133.3664 22.84921 8.321837 21.70839 10.16076 1.140827       13.13370 
1 1 1 19  13 0  o 171.9796 2.858615 3579.209       118.9208 3665.228       169.9434 3496.671       166.4691 174.0039 4.036855 169.9554 4.048521 4.048477       5.717230 
1 1 1 19  13 1  o 218.9113 3.229720 5802.711       171.0545 5816.224       242.1885 5789.260       241.6277 219.1656 4.567502 218.6571 4.567525 0.5085754      6.459439 
1 1 1 19  13 2  o 266.1208 3.692559 8574.968       237.6727 8734.610       341.2474 8424.572       331.2170 268.5231 5.252734 263.7187 5.191220 4.804413       7.385119 
1 1 1 19  13 3  o 361.6716 4.735621 15857.16       414.2615 16108.70       594.3626 15619.53       577.7012 364.4539 6.740724 358.8893 6.653351 5.564606       9.471243 
1 1 1 19  13 4  o 179.7560 2.898328 3912.683       126.0445 3944.934       178.8888 3880.886       177.6257 180.4917 4.096600 179.0203 4.101109 1.471405       5.796657 
1 1 1 19  13 5  o 347.0140 4.571929 14592.84       383.5216 14993.72       556.2488 14229.58       529.5022 351.5400 6.540215 342.4879 6.390285 9.052094       9.143859 
1 1 1 19  13 6  o 409.6223 5.282435 20372.13       523.2653 20766.62       753.8880 20005.40       726.8692 413.4309 7.537054 405.8138 7.403331 7.617126       10.56487 
1 1 1 19  13 7  o 362.9702 4.752789 15968.24       416.7774 15466.75       571.2916 16538.80       609.3742 356.9110 6.616002 369.0293 6.825287 -12.11829      9.505578 
1 1 1 19  13 8  o 67.24654 3.015972 548.5540       48.90189 606.7049       69.72108 492.2454       68.60781 70.76323 4.072435 63.72985 4.449676 7.033382       6.031943 
1 1 1 19  13 9  o 152.8739 2.738455 2827.940       101.2044 2984.808       145.9969 2682.837       140.4155 156.9512 3.844826 148.7967 3.900494 8.154526       5.476910 
1 1 1 19  13 10 o 55.29876 3.616256 373.7813       47.30075 278.2876       65.53479 477.6256       68.34011 47.85317 5.660553 62.74434 4.501931 -14.89117      7.232513 
1 1 1 19  13 11 o 92.06314 2.755179 1029.296       61.31513 1060.747       85.89257 996.6147       87.55675 93.50552 3.796786 90.62077 3.993554 2.884750       5.510359 
1 1 1 19  13 12 o 82.30121 2.763242 821.8552       54.98083 793.9836       76.00894 852.4429       79.62641 80.84159 3.886221 83.76083 3.929288 -2.919243      5.526484 
1 1 1 19  13 13 o 100.1621 2.694930 1220.896       65.30271 1235.198       92.89820 1206.925       91.81528 100.7419 3.811490 99.58237 3.810923 1.159546       5.389860 
1 1 1 19  13 14 o 21.12044 6.531186 6.805880       52.02781 20.18286       57.02647 -59.61927      127.0760 19.19597 7.813862 23.04491 10.46753 -3.848942      13.06237 
1 1 1 19  13 15 o 132.5841 3.549258 2186.711       89.87750 2199.563       100.3209 2134.444       202.3102 134.3572 3.086230 130.8111 6.392504 3.546127       7.098516 
1 1 1 19  13 16 o 51.44868 5.814941 306.6337       51.80986 288.3361       56.10913 412.4926       134.9583 48.25025 4.806530 54.64711 10.59016 -6.396862      11.62988 
1 1 1 19  13 17 o 27.20018 7.057414 89.61600       50.13178 93.67652       54.12690 65.11600       132.9551 26.40745 7.876234 27.99292 11.71295 -1.585472      14.11483 
1 1 1 19  13 18 o 28.79860 7.263081 44.54541       50.51337 7.803915       54.44479 271.7430       135.3879 17.11032 7.339863 40.48689 12.53538 -23.37657      14.52616 
1 1 1 19  13 19 f 48.23701 7.635437 343.8856       62.94160 328.3418       67.46886 448.1856       174.7701 49.86375 5.592631 46.61029 14.20993 3.253460       15.27087 
1 1 1 19  15 0  o 243.0572 3.489758 7132.024       204.7701 6785.452       278.6037 7539.208       301.9846 236.6632 4.865795 249.4512 5.003766 -12.78802      6.979515 
1 1 1 19  15 1  o 250.6501 3.555110 7599.508       215.3575 7342.807       296.3079 7886.946       313.5455 246.1753 4.975039 255.1250 5.079784 -8.949661      7.110219 
1 1 1 19  15 2  f 358.4846 4.707606 15580.98       408.0652 15245.74       565.7007 15944.64       589.1988 354.4778 6.596224 362.4915 6.718336 -8.013702      9.415212 
1 1 1 19  15 3  o 203.9442 3.119951 5034.407       153.8668 5170.809       221.9327 4908.159       213.5125 206.6002 4.440054 201.2883 4.384323 5.311890       6.239901 
1 1 1 19  15 4  o 167.6841 2.854846 3404.547       115.7984 3477.762       165.5577 3334.423       162.0266 169.4485 4.038401 165.9198 4.036321 3.528641       5.709691 
1 1 1 19  15 5  o 232.4729 3.400826 6550.331       191.2739 6576.830       270.4158 6523.797       270.5885 232.9445 4.798189 232.0013 4.820772 0.9432068      6.801651 
1 1 1 19  15 6  o 299.4268 4.068336 10873.60       294.6304 11088.70       423.1060 10671.11       410.5195 302.2951 5.785166 296.5584 5.721649 5.736664       8.136671 
1 1 1 19  15 7  o 50.14375 4.027524 303.2614       48.65247 267.3197       66.17954 345.5317       71.76992 46.92702 5.829058 53.36048 5.559304 -6.433456      8.055047 
1 1 1 19  15 8  o 131.3832 2.742698 2093.638       87.09952 2142.935       121.5223 2041.561       124.9019 132.9811 3.777144 129.7853 3.977784 3.195847       5.485397 
1 1 1 19  15 9  o 46.33173 4.252263 261.3394       47.62159 265.8750       66.30558 256.5071       68.43929 46.75381 5.861796 45.90965 6.161680 0.8441620      8.504526 
1 1 1 19  15 10 f 154.8037 2.824287 2899.723       105.5838 2763.306       144.0831 3057.938       155.1686 150.8898 3.946852 158.7176 4.040884 -7.827820      5.648574 
1 1 1 19  15 11 o 256.9267 3.638731 8048.058       226.1785 8030.151       318.6341 8066.245       321.1098 256.6442 5.131667 257.2092 5.160179 -0.5649719     7.277462 
1 1 1 19  15 12 o 129.9376 2.771533 2055.979       87.10390 2114.917       123.3497 1997.357       123.0180 131.8062 3.868120 128.0689 3.970294 3.737289       5.543066 
1 1 1 19  15 13 o 103.7105 2.814143 1310.796       70.55315 1369.623       102.2721 1257.378       97.45642 105.9246 3.990785 101.4964 3.968785 4.428177       5.628287 
1 1 1 19  15 14 o 78.05711 3.055219 745.4861       57.62786 793.6346       83.78414 702.2561       79.38952 80.44738 4.304747 75.66684 4.336659 4.780540       6.110438 
1 1 1 19  15 15 o 52.89509 4.489383 367.3609       52.24749 510.8953       74.19434 226.1644       73.58760 64.27043 4.771525 41.51974 7.605970 22.75069       8.978766 
1 1 1 19  15 16 f 33.37472 6.223149 189.1832       53.61104 225.7931       57.86825 -32.52826      142.4082 42.32417 5.651316 24.42527 11.08932 17.89890       12.44630 
1 1 1 19  15 17 o 26.26097 6.974285 91.31818       54.26000 108.3033       57.80680 -34.49137      157.3265 27.88298 8.092869 24.63896 11.36081 3.244022       13.94857 
1 1 1 19  15 18 o 37.63923 8.315350 190.9953       58.53658 174.5497       61.49956 349.4349       190.8883 35.02381 7.484865 40.25465 14.85116 -5.230846      16.63070 
1 1 1 19  17 0  o 126.5709 2.755655 1937.618       84.32098 1843.454       116.9287 2039.643       121.7108 123.3706 3.917483 129.7711 3.876579 -6.400551      5.511310 
1 1 1 19  17 1  o 203.3396 3.156751 5003.841       155.1819 5164.687       224.8365 4857.510       214.4522 206.4537 4.501339 200.2256 4.426992 6.228149       6.313502 
1 1 1 19  17 2  o 316.9988 4.270101 12189.18       327.3966 12379.54       469.8490 12009.51       456.4588 319.3969 6.080305 314.6007 5.997077 4.796234       8.540201 
1 1 1 19  17 3  o 140.8078 2.774305 2401.871       94.50590 2426.338       133.4764 2377.275       133.8274 141.5282 3.898156 140.0875 3.948602 1.440689       5.548611 
1 1 1 19  17 4  o 128.0613 3.894152 1986.753       120.6516 1986.753       120.6516 0.000000       0.000000 128.0613 3.894152 ?        ?        ?              ?        
1 1 1 19  17 5  o 229.8253 3.400621 6399.760       189.0033 6593.447       272.1871 6219.408       262.6501 233.1788 4.824766 226.4718 4.793593 6.706985       6.801242 
1 1 1 19  17 6  o 189.9245 3.070268 4373.527       141.0750 4402.554       199.3738 4344.421       199.6467 190.5574 4.324542 189.2916 4.359417 1.265747       6.140536 
1 1 1 19  17 7  o 224.0653 3.335874 6093.225       180.8336 6140.551       255.9677 6046.069       255.5075 224.9361 4.703528 223.1945 4.731706 1.741592       6.671747 
1 1 1 19  17 8  o 107.5186 2.805550 1404.195       72.88489 1442.480       101.4263 1363.315       104.8064 109.0456 3.844503 105.9917 4.087082 3.053871       5.611100 
1 1 1 19  17 9  o 304.7291 4.160417 11327.71       306.7198 11403.26       435.6933 11253.48       431.8666 305.7336 5.890274 303.7247 5.877155 2.008820       8.320834 
1 1 1 19  17 10 o 172.4920 2.949913 3615.786       123.0249 3757.541       177.9086 3485.886       170.3072 175.7245 4.184680 169.2594 4.158894 6.465118       5.899826 
1 1 1 19  17 11 o 83.23898 3.009921 845.8805       60.54949 887.8806       85.41757 803.4601       85.84385 85.33670 4.137225 81.14127 4.372855 4.195427       6.019841 
1 1 1 19  17 12 o 70.01955 3.274314 599.5417       55.39450 621.9656       80.91049 579.7574       75.99927 71.23726 4.694565 68.80183 4.565698 2.435432       6.548628 
1 1 1 19  17 13 o 159.2568 2.920300 3097.755       112.3285 3293.454       164.7422 2927.723       153.5597 163.9302 4.153781 154.5833 4.105937 9.346893       5.840600 
1 1 1 19  17 14 o 23.04773 6.002006 39.43869       49.34622 107.8993       71.03549 -24.40868      68.60038 28.69013 9.108944 17.40532 7.818147 11.28481       12.00401 
1 1 1 19  17 15 o 98.32231 3.079478 1197.572       73.13455 1292.961       104.8417 1107.160       102.0697 102.1952 4.240345 94.44938 4.466789 7.745857       6.158956 
1 1 1 19  17 16 o 29.32682 6.208502 118.5022       52.41541 48.91742       75.70953 182.5570       72.63894 22.61970 9.075674 36.03394 8.474321 -13.41424      12.41700 
1 1 1 19  17 17 o 23.62489 7.458631 32.93325       59.38125 27.99085       63.04470 71.79060       176.7731 19.34455 8.077477 27.90524 12.54109 -8.560688      14.91726 
1 1 1 19  19 0  o 98.47171 2.962154 1173.969       70.50572 1105.212       98.19357 1247.145       101.2992 95.49567 4.250079 101.4478 4.127256 -5.952080      5.924307 
1 1 1 19  19 1  o 155.0107 2.875581 2912.402       107.8182 2953.874       151.6202 2869.978       153.3504 156.1307 4.013898 153.8906 4.118798 2.240158       5.751163 
1 1 1 19  19 2  o 260.4684 3.704077 8232.265       233.4180 8226.121       329.4341 8238.458       330.7758 260.3722 5.229640 260.5647 5.247057 -0.1925049     7.408154 
1 1 1 19  19 3  o 114.5605 2.884510 1589.195       79.89059 1507.643       111.1804 1676.258       114.8749 111.5226 4.120625 117.5985 4.037579 -6.075935      5.769020 
1 1 1 19  19 4  o 195.7116 3.128835 4644.219       148.1208 4739.404       212.0232 4553.477       207.0155 197.6686 4.433467 193.7546 4.416198 3.914017       6.257670 
1 1 1 19  19 5  o 205.4448 3.193961 5109.010       158.4758 4898.432       216.4189 5352.470       232.7032 200.9025 4.452538 209.9871 4.580442 -9.084656      6.387922 
1 1 1 19  19 6  o 72.59740 3.403275 639.8058       59.73880 621.2142       82.73819 660.0532       86.34395 71.49889 4.783045 73.69591 4.842685 -2.197021      6.806549 
1 1 1 19  19 7  o 139.1501 2.817678 2345.866       94.74776 2233.273       130.2830 2472.267       138.0403 135.6160 3.970767 142.6843 3.998781 -7.068253      5.635356 
1 1 1 19  19 8  o 103.5779 2.883852 1303.385       72.22491 1339.210       104.3537 1270.445       100.0642 104.9386 4.110268 102.2173 4.046245 2.721321       5.767703 
1 1 1 19  19 9  o 63.39306 3.691737 491.9541       56.13615 579.0069       80.93660 411.2571       77.92596 68.84847 4.859016 57.93765 5.559285 10.91082       7.383474 
1 1 1 19  19 10 o 103.8046 2.937981 1315.230       73.77413 1283.915       103.7800 1347.221       104.8937 102.5493 4.182911 105.0599 4.126766 -2.510628      5.875963 
1 1 1 19  19 11 f 111.2999 2.869292 1514.259       77.15996 1506.174       106.2850 1523.268       112.1962 111.0151 3.957197 111.5848 4.155951 -0.5697937     5.738584 
1 1 1 19  19 12 o 16.56692 5.381616 -46.33763      49.31580 -60.47952      67.87747 -30.52660      71.77148 15.53061 7.262716 17.60322 7.943557 -2.072606      10.76323 
1 1 1 19  19 13 f 85.82834 3.164463 909.6542       65.67781 870.7516       92.05032 949.9960       93.73756 83.93668 4.532849 87.71999 4.416852 -3.783318      6.328925 
1 1 1 19  19 14 o 88.76251 3.309376 974.9995       70.70551 1124.060       104.2957 848.2295       96.18180 95.07841 4.534006 82.44661 4.821896 12.63181       6.618752 
1 1 1 19  19 15 o 23.08261 6.338079 40.31909       54.86802 110.7037       80.82959 -19.82774      74.72020 28.18993 9.743270 17.97530 8.108864 10.21463       12.67616 
1 1 1 19  19 16 o 25.94722 6.562570 83.46917       57.86497 11.74147       80.55369 159.9432       83.17616 19.86429 8.719476 32.03016 9.810200 -12.16586      13.12514 
1 1 1 19  21 0  o 213.7162 3.290500 5544.125       170.1167 5615.516       242.9552 5475.456       238.2756 215.0630 4.669369 212.3693 4.637516 2.693710       6.581000 
1 1 1 19  21 1  o 208.3651 3.250965 5269.310       163.8460 5395.003       234.7881 5149.992       228.7561 210.7850 4.603987 205.9452 4.591120 4.839752       6.501929 
1 1 1 19  21 2  o 64.24316 3.708424 504.4471       57.32495 468.2205       83.53453 536.6927       78.81097 62.03072 5.566176 66.45560 4.901768 -4.424885      7.416849 
1 1 1 19  21 3  o 171.3258 3.001867 3562.452       124.3921 3678.909       178.0332 3451.372       173.8745 174.0628 4.227589 168.5888 4.262899 5.474045       6.003733 
1 1 1 19  21 4  o 132.8521 2.847417 2142.651       91.50720 2187.844       130.7227 2099.228       128.1374 134.2255 4.025445 131.4787 4.028267 2.746780       5.694834 
1 1 1 19  21 5  o 139.5686 3.970017 2366.995       134.0548 2366.995       134.0548 0.000000       0.000000 139.5686 3.970017 ?        ?        ?              ?        
1 1 1 19  21 6  o 37.56361 5.000928 164.4251       49.01337 372.3993       76.00222 16.34730       64.13079 55.17244 5.693794 19.95478 8.223007 35.21766       10.00186 
1 1 1 19  21 7  o 68.50738 4.383139 547.8853       67.77766 659.0125       124.4253 500.9983       80.82101 73.03403 7.041759 63.98072 5.221231 9.053314       8.766277 
1 1 1 19  21 8  o 125.1216 2.927415 1909.122       88.56864 1961.277       127.8774 1861.036       122.7876 126.7545 4.169923 123.4887 4.109838 3.265755       5.854829 
1 1 1 19  21 9  o 26.22292 6.542722 77.69109       51.73923 94.32465       76.53384 63.69094       70.21455 27.91581 9.485878 24.53002 9.013711 3.385786       13.08544 
1 1 1 19  21 10 o 95.13515 3.141014 1110.895       72.11083 1220.073       103.3973 1007.504       100.6196 99.73347 4.285150 90.53681 4.593622 9.196663       6.282028 
1 1 1 19  21 11 o 63.37782 3.953612 500.0788       60.59700 495.1855       84.32015 505.3054       87.14379 63.07861 5.525187 63.67703 5.656546 -0.5984230     7.907225 
1 1 1 19  21 12 o 73.36972 3.844558 678.6059       67.56974 776.8526       94.92811 577.7073       96.20069 78.99588 4.966930 67.74356 5.869591 11.25232       7.689116 
1 1 1 19  21 13 o 36.55519 6.723073 188.4214       60.86267 145.8630       83.77544 235.9907       88.57018 32.07454 9.849093 41.03584 9.153917 -8.961296      13.44615 
1 1 1 19  21 14 o 52.38602 4.719396 359.2838       59.66552 331.1231       81.22552 392.2872       87.93259 50.15504 6.693844 54.61700 6.654566 -4.461960      9.438792 
1 1 1 19  21 15 o 58.58006 4.723203 460.3718       66.40822 428.8235       87.55552 503.1030       101.8987 56.49407 6.405874 60.66606 6.942576 -4.171989      9.446405 
1 1 1 19  23 0  o 96.34529 3.054464 1128.966       71.18187 1112.079       99.38332 1146.755       102.0004 95.60870 4.296490 97.08188 4.342716 -1.473183      6.108929 
1 1 1 19  23 1  o 77.39403 3.467630 735.0992       64.38743 632.3247       91.67294 835.1596       90.45444 71.97372 5.264595 82.81433 4.514629 -10.84061      6.935260 
1 1 1 19  23 2  o 194.9574 3.145544 4628.048       148.3164 4709.055       213.1594 4552.022       206.5010 196.6003 4.481446 193.3146 4.415249 3.285675       6.291088 
1 1 1 19  23 3  o 23.31808 6.297615 48.52010       49.29170 45.07440       74.05167 51.26142       66.05044 23.44008 9.107283 23.19609 8.700415 0.2439957      12.59523 
1 1 1 19  23 4  o 117.7454 2.860046 1689.916       81.44540 1662.958       116.1151 1716.023       114.2695 116.8071 4.108819 118.6837 3.979578 -1.876579      5.720091 
1 1 1 19  23 5  o 98.00557 3.003140 1169.194       71.08049 1228.711       104.4168 1117.795       97.03463 100.3115 4.302467 95.69968 4.190964 4.611778       6.006280 
1 1 1 19  23 6  o 50.73494 4.524604 312.4808       54.61681 404.9300       83.31323 242.8070       72.32643 57.25480 6.014503 44.21508 6.761208 13.03972       9.049209 
1 1 1 19  23 7  o 45.94554 5.526337 267.5573       58.21444 383.3282       87.32319 174.9464       78.10176 55.51171 6.501936 36.37937 8.937920 19.13234       11.05267 
1 1 1 19  23 8  o 46.51796 5.685535 282.8764       61.16791 358.2470       86.91492 208.9129       86.09981 53.48191 6.717152 39.55400 9.175028 13.92790       11.37107 
1 1 1 19  23 9  f 104.0083 3.059710 1331.801       76.97682 1359.417       108.6860 1304.006       109.0382 105.1123 4.273834 102.9044 4.379684 2.207916       6.119419 
1 1 1 19  23 10 o 28.77777 6.463868 100.8619       55.71866 172.5365       79.53104 31.76998       78.08503 35.44983 9.194969 22.10570 9.087292 13.34413       12.92774 
1 1 1 19  23 11 o 76.24839 3.774725 729.2695       69.17307 847.8381       100.4876 622.4829       95.36436 82.27861 5.048044 70.21817 5.613507 12.06044       7.549450 
1 1 1 19  23 12 o 74.87521 3.890813 711.2088       70.22806 632.6666       96.41448 799.9780       102.4995 70.37763 5.662462 79.37280 5.337624 -8.995171      7.781626 
1 1 1 19  23 13 o 37.46358 6.849144 211.6645       62.53815 188.9873       85.06137 238.3430       92.26132 35.23944 9.679969 39.68772 9.692330 -4.448284      13.69829 
1 1 1 19  23 14 o 44.56518 6.474184 314.0185       67.70611 362.1176       90.07889 251.5577       102.6498 50.65339 7.350422 38.47697 10.65981 12.17641       12.94837 
1 1 1 19  25 0  f 139.5529 2.934410 2368.883       98.86171 2536.152       145.6953 2226.147       134.5875 144.0903 4.179347 135.0154 4.120208 9.074921       5.868821 
1 1 1 19  25 1  o 58.79194 4.211121 425.7122       59.53679 436.0773       89.68506 417.5455       79.60825 59.37128 6.243690 58.21260 5.652476 1.158672       8.422242 
1 1 1 19  25 2  o 76.75786 3.554502 710.6972       65.40768 835.7540       100.8231 619.8188       85.94821 82.47707 5.052712 71.03865 5.000804 11.43842       7.109004 
1 1 1 19  25 3  o 48.01546 4.939471 286.7973       57.02859 296.8301       86.10449 278.9570       76.11704 48.69025 7.309395 47.34066 6.645770 1.349598       9.878942 
1 1 1 19  25 4  o 63.95893 4.015254 509.4345       61.10294 487.1235       94.18287 525.6506       80.29452 62.59838 6.218799 65.31947 5.080904 -2.721088      8.030507 
1 1 1 19  25 5  o 73.34473 3.608696 640.4922       62.88071 821.8438       100.3637 523.3040       80.67852 81.59203 5.084246 65.09744 5.122614 16.49458       7.217391 
1 1 1 19  25 6  o 66.56302 3.856662 553.4831       61.67118 514.8220       90.62048 586.8352       84.16888 64.26205 5.828670 68.86400 5.051927 -4.601952      7.713323 
1 1 1 19  25 7  o 54.50055 4.873607 378.4763       63.95953 345.5981       91.74557 409.5641       89.21247 52.03774 7.287261 56.96336 6.473329 -4.925613      9.747213 
1 1 1 19  25 8  f 39.33226 6.968156 216.1282       65.88234 217.3154       99.07607 215.1871       88.21096 39.22301 10.30627 39.44151 9.380918 -0.2184944     13.93631 
1 1 1 19  25 9  o 31.52018 6.969703 138.2458       60.16786 172.0057       85.24851 104.7355       84.93277 34.80663 9.739829 28.23372 9.972100 6.572908       13.93941 
1 1 1 19  25 10 o 49.43630 5.388522 325.3632       64.26046 324.8422       87.70563 325.9670       94.42159 49.57255 7.312804 49.30006 7.916286 0.2724876      10.77704 
1 1 1 19  25 11 o 29.07100 7.118813 125.4039       64.52118 165.5989       84.31182 68.59490       100.2331 33.03932 9.824567 25.10268 10.30475 7.936634       14.23763 
1 1 1 19  25 12 o 35.22547 7.546966 219.8070       73.61700 255.4459       90.53698 150.2677       126.4674 40.61107 9.400458 29.83986 11.80924 10.77121       15.09393 
1 1 1 19  27 0  o 42.36883 5.942010 242.2764       58.78522 186.3018       88.27027 286.8876       78.80270 37.02588 9.727570 47.71177 6.826738 -10.68589      11.88402 
1 1 1 19  27 1  o 50.28445 5.049752 323.3567       60.19061 303.0287       93.08642 337.9627       78.90532 48.65611 7.907635 51.91278 6.282460 -3.256664      10.09950 
1 1 1 19  27 2  o 25.49307 6.770760 64.77287       56.88194 100.5497       87.01107 38.07207       75.16847 28.54953 10.09233 22.43661 9.028716 6.112915       13.54152 
1 1 1 19  27 3  o 50.83575 5.129858 330.0498       61.76097 328.8994       97.49622 330.8209       79.81858 50.48105 7.982834 51.19044 6.444851 -0.7093849     10.25972 
1 1 1 19  27 4  o 42.31237 6.054370 224.1389       61.04876 376.6378       97.52025 125.8626       78.28630 54.10749 7.449636 30.51724 9.545917 23.59025       12.10874 
1 1 1 19  27 5  f 105.9330 3.178194 1389.578       81.27571 1429.198       119.5928 1355.574       110.7933 107.2661 4.608295 104.5999 4.378045 2.666206       6.356388 
1 1 1 19  27 6  o 42.55757 7.553414 296.3607       81.92961 358.6339       96.50482 135.6336       155.0398 52.33351 7.621963 32.78163 13.04308 19.55188       15.10683 
1 1 1 19  27 7  o 67.16424 5.361598 610.0202       83.64831 534.9197       132.4521 659.8453       107.8851 62.70660 8.730583 71.62188 6.226062 -8.915279      10.72320 
1 1 1 19  27 8  o 29.93091 8.543948 117.9150       96.62260 75.18144       153.2615 146.1035       124.4759 28.40662 12.25171 31.45521 11.91184 -3.048590      17.08790 
1 1 1 19  27 9  o 39.52350 11.94923 264.4854       123.9613 0.000000       0.000000 264.4854       123.9613 ?        ?        39.52350 11.94923 ?              ?        
1 1 1 20  0  0  o 732.0927 9.066294 64989.55       2269.409 64989.55       2269.409 64989.55       2269.409 732.0927 12.82168 732.0927 12.82168 0.000000       0.000000 
1 1 1 20  0  2  o 304.5554 4.042292 11234.75       420.8875 11234.75       420.8875 11234.75       420.8875 304.5554 5.716664 304.5554 5.716664 0.000000       0.000000 
1 1 1 20  0  4  o 259.6373 3.559094 8165.293       315.9043 8165.293       315.9043 8165.293       315.9043 259.6373 5.033319 259.6373 5.033319 0.000000       0.000000 
1 1 1 20  0  5  o 917.4319 11.28322 102115.0       3539.384 102115.0       3539.384 102115.0       3539.384 917.4319 15.95688 917.4319 15.95688 0.000000       0.000000 
1 1 1 20  0  6  o 601.5045 7.496023 43858.91       1541.640 43858.91       1541.640 43858.91       1541.640 601.5045 10.60098 601.5045 10.60098 0.000000       0.000000 
1 1 1 20  0  7  f 398.7600 5.119612 19270.99       697.9799 19270.99       697.9799 19270.99       697.9799 398.7600 7.240224 398.7600 7.240224 0.000000       0.000000 
1 1 1 20  0  8  o 16.74297 6.396284 48.04283       51.08588 48.04283       51.08588 48.04283       51.08588 16.74297 9.045712 16.74297 9.045712 0.000000       0.000000 
1 1 1 20  0  9  o 248.2293 3.459454 7467.920       293.5602 7467.920       293.5602 7467.920       293.5602 248.2293 4.892407 248.2293 4.892407 0.000000       0.000000 
1 1 1 20  0  10 o 133.5523 2.440543 2162.885       111.3523 2162.885       111.3523 2162.885       111.3523 133.5523 3.451449 133.5523 3.451449 0.000000       0.000000 
1 1 1 20  0  11 o 84.42207 2.277237 866.2925       65.56081 866.2925       65.56081 866.2925       65.56081 84.42207 3.220500 84.42207 3.220500 0.000000       0.000000 
1 1 1 20  0  12 o 92.62760 2.368846 1042.555       74.85210 1042.555       74.85210 1042.555       74.85210 92.62760 3.350054 92.62760 3.350054 0.000000       0.000000 
1 1 1 20  0  13 o 210.5290 3.109166 5375.766       223.7410 5375.766       223.7410 5375.766       223.7410 210.5290 4.397025 210.5290 4.397025 0.000000       0.000000 
1 1 1 20  0  14 o 94.31043 2.475446 1081.758       79.62886 1081.758       79.62886 1081.758       79.62886 94.31043 3.500810 94.31043 3.500810 0.000000       0.000000 
1 1 1 20  0  15 o 142.7097 2.610230 2474.048       127.2601 2474.048       127.2601 2474.048       127.2601 142.7097 3.691422 142.7097 3.691422 0.000000       0.000000 
1 1 1 20  0  16 o 75.28148 2.699840 693.3074       69.13319 693.3074       69.13319 693.3074       69.13319 75.28148 3.818150 75.28148 3.818150 0.000000       0.000000 
1 1 1 20  0  17 f 16.71309 6.546393 48.31342       54.93575 48.31342       54.93575 48.31342       54.93575 16.71309 9.257998 16.71309 9.257998 0.000000       0.000000 
1 1 1 20  0  18 o 13.66551 6.048720 15.48145       58.32234 15.48145       58.32234 15.48145       58.32234 13.66551 8.554182 13.66551 8.554182 0.000000       0.000000 
1 1 1 20  0  19 o 42.58559 5.067802 243.6298       67.55843 243.6298       67.55843 243.6298       67.55843 42.58559 7.166954 42.58559 7.166954 0.000000       0.000000 
1 1 1 20  0  20 o 48.71729 5.647353 324.8070       86.53222 324.8070       86.53222 324.8070       86.53222 48.71729 7.986563 48.71729 7.986563 0.000000       0.000000 
1 1 1 20  2  0  o 475.2187 7.009130 26703.13       674.1008 26177.86       762.6973 28578.23       1441.023 465.0086 6.779362 485.4287 12.26996 -20.42004      14.01826 
1 1 1 20  2  1  o 422.3420 6.185708 21795.26       554.3111 22007.66       645.9167 21201.67       1079.785 426.4026 6.261154 418.2814 10.67005 8.121124       12.37142 
1 1 1 20  2  2  o 685.0792 9.747526 57438.06       1419.658 58016.80       1656.327 55835.81       2755.926 692.0714 9.892197 678.0871 16.79885 13.98431       19.49505 
1 1 1 20  2  3  o 574.7950 8.268987 40156.11       1000.247 40278.54       1158.580 39797.74       1982.159 576.7741 8.302673 572.8159 14.30280 3.958252       16.53797 
1 1 1 20  2  4  o 933.1988 13.37982 104562.1       2563.281 103408.0       2924.462 108387.9       5324.545 923.4531 13.08967 942.9445 23.33964 -19.49133      26.75964 
1 1 1 20  2  5  o 569.1168 8.233215 39071.64       974.4209 38884.51       1119.869 39654.97       1977.157 566.6478 8.168678 571.5858 14.29741 -4.938049      16.46643 
1 1 1 20  2  6  o 278.7064 4.375409 9269.848       250.8612 9151.604       286.2852 9660.916       520.6396 274.9940 4.303020 282.4186 7.619765 -7.424591      8.750817 
1 1 1 20  2  7  o 237.6057 3.817676 7073.703       198.0276 7421.914       237.2930 6274.836       359.4188 247.6290 3.960783 227.5824 6.527694 20.04660       7.635351 
1 1 1 20  2  8  o 212.8883 4.375398 5490.539       225.2801 5409.875       313.6987 5576.443       323.7263 211.2777 6.137009 214.4990 6.238073 -3.221298      8.750796 
1 1 1 20  2  9  o 205.1674 3.480491 5244.279       153.4482 5427.688       181.3334 4781.678       287.9863 211.7395 3.539758 198.5952 5.993778 13.14430       6.960981 
1 1 1 20  2  10 o 319.1891 4.887245 12341.91       325.5598 12315.96       375.0780 12421.18       655.5760 318.7971 4.863007 319.5811 8.478905 -0.7839355     9.774490 
1 1 1 20  2  11 o 85.86727 2.758259 873.8494       48.77157 857.0458       55.60111 929.9227       101.5689 84.14444 2.731214 87.59010 4.792957 -3.445663      5.516518 
1 1 1 20  2  12 o 146.0944 2.995902 2608.348       91.46916 2630.054       105.7207 2543.724       182.4155 147.3830 2.964902 144.8059 5.206830 2.577133       5.991805 
1 1 1 20  2  13 o 43.79595 5.102821 275.4937       38.46836 296.9760       42.77572 184.6520       87.96294 49.50312 3.571597 38.08878 9.560274 11.41434       10.20564 
1 1 1 20  2  14 o 181.8941 3.362489 4012.382       126.1267 4003.978       144.5048 4039.262       258.4341 181.7231 3.286774 182.0651 5.867064 -0.3420563     6.724978 
1 1 1 20  2  15 o 50.04273 3.342503 305.7219       40.36209 297.0920       58.75368 313.4344       55.54280 49.35731 4.920184 50.72815 4.525603 -1.370834      6.685005 
1 1 1 20  2  16 o 32.49561 4.708660 134.0781       36.38895 107.4315       51.46898 160.7098       51.45450 28.86008 7.351045 36.13113 5.886261 -7.271053      9.417320 
1 1 1 20  2  17 o 63.20152 3.108976 489.2400       47.44828 532.6626       68.29639 448.7275       65.96816 65.93120 4.281584 60.47183 4.508987 5.459366       6.217952 
1 1 1 20  2  18 o 66.64809 3.294551 549.3022       53.08090 535.7175       75.95551 562.2698       74.21036 65.80807 4.770653 67.48811 4.545011 -1.680038      6.589101 
1 1 1 20  2  19 o 57.28003 3.863235 414.1434       53.42903 393.7668       76.59470 433.4551       74.56625 55.81622 5.671997 58.74383 5.246597 -2.927612      7.726470 
1 1 1 20  2  20 o 37.67180 5.623595 197.5255       57.90036 372.9905       84.43109 41.74873       79.55337 53.23477 6.555483 22.10882 9.139198 31.12595       11.24719 
1 1 1 20  4  0  o 501.9763 6.310903 30506.27       766.2156 30949.07       1099.643 30088.41       1068.225 505.5112 8.991218 498.4415 8.858216 7.069733       12.62181 
1 1 1 20  4  1  o 619.1003 7.701883 46341.70       1151.647 44850.29       1574.338 48058.39       1689.057 608.4263 10.69517 629.7742 11.08555 -21.34790      15.40377 
1 1 1 20  4  2  o 142.4744 3.001185 2361.898       94.85815 2231.731       112.0457 2691.255       178.2292 135.8163 3.409894 149.1325 4.939743 -13.31618      6.002369 
1 1 1 20  4  3  o 265.0372 4.139638 8731.815       237.8779 9043.126       282.6645 7976.205       440.3757 273.3816 4.273657 256.6928 7.090998 16.68878       8.279276 
1 1 1 20  4  4  o 141.2219 2.855890 2461.136       84.97835 2513.028       98.94752 2315.289       165.8848 144.1238 2.837702 138.3200 4.957003 5.803818       5.711780 
1 1 1 20  4  5  o 497.8009 7.258401 29866.63       750.5734 29708.31       862.0306 30362.88       1526.152 495.3327 7.193220 500.2691 12.60933 -4.936371      14.51680 
1 1 1 20  4  6  o 217.5096 3.875069 5641.208       188.7373 5505.025       226.0350 5954.789       342.9947 213.2711 4.380679 221.7481 6.393301 -8.476929      7.750138 
1 1 1 20  4  7  o 159.2881 3.212025 2991.177       114.0045 2872.658       135.5401 3277.811       210.7836 154.0598 3.636438 164.5163 5.295728 -10.45650      6.424050 
1 1 1 20  4  8  o 199.8918 3.441703 4811.340       142.7332 4784.891       163.8176 4894.706       290.8399 198.8224 3.405594 200.9611 5.981906 -2.138763      6.883406 
1 1 1 20  4  9  o 34.01019 4.771632 168.2856       28.36464 181.0260       31.09028 105.0327       69.27460 38.67015 3.323123 29.35023 8.945991 9.319925       9.543264 
1 1 1 20  4  10 o 188.0862 3.331082 4334.012       131.5726 4383.084       152.5596 4191.553       259.9376 190.2690 3.314128 185.9034 5.779358 4.365646       6.662163 
1 1 1 20  4  11 o 150.4573 3.029748 2717.488       93.52688 2695.211       106.7290 2791.196       194.1350 149.2066 2.956598 151.7080 5.289237 -2.501434      6.059497 
1 1 1 20  4  12 o 264.1458 4.228023 8482.511       233.4290 8491.403       269.3518 8455.682       467.8429 264.6859 4.206170 263.6057 7.335724 1.080231       8.456046 
1 1 1 20  4  13 o 32.08161 5.659501 112.0738       35.13875 102.3406       38.46936 161.0946       86.33295 28.50439 5.776143 35.65884 9.734268 -7.154448      11.31900 
1 1 1 20  4  14 o 124.9924 3.033185 1951.368       77.09499 1999.356       88.40086 1798.929       157.5568 128.4407 2.844798 121.5440 5.357981 6.896706       6.066369 
1 1 1 20  4  15 o 119.2479 3.013904 1660.556       71.13686 1610.797       79.62914 1857.228       158.3081 115.2224 2.856490 123.2734 5.308007 -8.051033      6.027809 
1 1 1 20  4  16 o 137.3263 3.131238 2286.650       86.81945 2271.265       98.48935 2340.274       183.8758 136.6953 2.978059 137.9573 5.509062 -1.261993      6.262475 
1 1 1 20  4  17 o 59.34561 4.682104 477.1022       50.20119 499.6243       55.86555 382.6294       114.4177 63.95596 3.610445 54.73526 8.640201 9.220699       9.364207 
1 1 1 20  4  18 o 93.53091 2.769469 1075.369       62.66098 1086.466       88.22335 1064.072       89.01396 94.03243 3.877962 93.02940 3.954901 1.003029       5.538938 
1 1 1 20  4  19 o 23.80219 5.533586 47.03436       46.54387 -48.33819      65.86462 142.1661       65.78142 15.52746 7.225377 32.07692 8.383092 -16.54946      11.06717 
1 1 1 20  4  20 o 31.79326 5.560028 140.6865       55.86755 -9.354839      83.24362 263.6560       75.36054 19.21805 8.623710 44.36847 7.020488 -25.15041      11.12006 
1 1 1 20  6  0  o 406.8664 5.220368 19888.59       510.8487 18737.96       679.4742 21384.58       774.7671 393.4420 7.138220 420.2907 7.619370 -26.84869      10.44074 
1 1 1 20  6  1  o 754.7124 9.326772 68988.54       1701.522 67441.88       2348.370 70697.87       2468.774 745.8395 13.01424 763.5852 13.36354 -17.74567      18.65354 
1 1 1 20  6  2  o 410.8955 5.258520 20438.84       522.7404 20362.04       736.1298 20516.97       742.4436 410.1176 7.418972 411.6734 7.454326 -1.555817      10.51704 
1 1 1 20  6  3  o 294.2551 3.943288 10470.40       280.5603 10238.19       388.7076 10722.94       405.3604 290.8535 5.523909 297.6566 5.628899 -6.803192      7.886575 
1 1 1 20  6  4  o 585.2045 10.33948 41574.21       1463.529 42117.79       2097.938 41058.89       2042.654 588.9139 14.72443 581.4950 14.51933 7.418945       20.67897 
1 1 1 20  6  5  o 247.9241 4.234370 7482.858       240.6931 7572.476       297.2805 7312.314       410.0998 250.1255 4.912540 245.7227 6.898297 4.402771       8.468740 
1 1 1 20  6  6  o 590.8782 8.515387 42672.80       1062.068 42907.42       1233.146 41998.81       2090.059 594.7891 8.569378 586.9673 14.71778 7.821716       17.03077 
1 1 1 20  6  7  o 268.9416 4.235661 8869.518       241.6742 8986.003       281.8563 8546.104       469.6463 272.4303 4.276319 265.4530 7.312755 6.977295       8.471321 
1 1 1 20  6  8  o 319.2440 4.908221 12254.76       323.9188 12154.78       370.9370 12575.85       664.7465 316.7619 4.840218 321.7261 8.540190 -4.964142      9.816442 
1 1 1 20  6  9  o 290.0668 4.530145 10254.59       276.0880 10302.42       319.6814 10114.22       547.6660 291.6171 4.531084 288.5166 7.845899 3.100494       9.060289 
1 1 1 20  6  10 o 56.91048 3.464143 380.7002       37.80855 373.3973       41.95626 412.2546       87.21221 55.53587 3.122633 58.28510 6.184684 -2.749229      6.928286 
1 1 1 20  6  11 o 441.1154 6.567997 23538.94       598.5420 23358.84       685.5298 24116.60       1227.714 438.5412 6.461208 443.6895 11.43709 -5.148346      13.13599 
1 1 1 20  6  12 o 236.5427 3.957697 6705.766       191.4114 6629.942       217.9644 6961.333       400.1621 233.8967 3.851759 239.1887 6.915014 -5.292007      7.915394 
1 1 1 20  6  13 f 71.51152 3.446090 565.0195       45.86209 536.3857       50.11214 712.6710       113.7949 66.53036 3.113298 76.49268 6.148944 -9.962318      6.892179 
1 1 1 20  6  14 o 118.9928 3.168961 1722.933       73.09965 1723.572       81.80499 1720.405       162.8434 119.2376 2.835725 118.7480 5.668149 0.4895782      6.337922 
1 1 1 20  6  15 o 74.21188 3.715630 684.2070       50.53856 689.9037       55.75048 657.9417       119.7094 75.37212 3.057282 73.05164 6.773231 2.320480       7.431261 
1 1 1 20  6  16 o 30.19194 5.673622 136.8555       39.70216 157.4245       43.32383 29.03034       99.19260 35.80786 5.000876 24.57603 10.18583 11.23183       11.34724 
1 1 1 20  6  17 o 30.76339 5.999834 136.2135       43.26281 153.2237       47.58810 55.19334       103.8582 35.14253 5.597100 26.38425 10.61435 8.758282       11.99967 
1 1 1 20  6  18 f 42.15995 6.097140 199.6309       47.74944 179.2217       52.13380 305.8893       118.9565 37.79446 5.701498 46.52544 10.77930 -8.730988      12.19428 
1 1 1 20  6  19 o 38.04102 6.808627 175.9933       52.08723 153.9435       57.71441 272.8138       120.9388 33.71679 7.287667 42.36525 11.50302 -8.648464      13.61725 
1 1 1 20  6  20 o 31.43989 9.381313 150.1052       76.77730 0.000000       0.000000 150.1052       76.77730 ?        ?        31.43989 9.381313 ?              ?        
1 1 1 20  8  0  o 64.91931 3.857312 509.9340       60.58443 0.000000       0.000000 509.9340       60.58443 ?        ?        64.91931 3.857312 ?              ?        
1 1 1 20  8  1  o 517.1624 8.073706 31532.80       917.0870 30377.82       1079.569 34527.07       1738.229 500.8162 8.909835 533.5087 13.46676 -32.69247      16.14741 
1 1 1 20  8  2  o 432.7921 5.521379 22676.09       578.0333 22407.17       808.3271 22957.52       826.9147 430.1691 7.766863 435.4151 7.849734 -5.245972      11.04276 
1 1 1 20  8  3  o 102.8273 3.327871 1279.321       82.78986 1279.321       82.78986 0.000000       0.000000 102.8273 3.327871 ?        ?        ?              ?        
1 1 1 20  8  4  o 466.0076 5.903178 26312.80       665.4717 26073.45       932.5049 26561.20       949.9767 463.8522 8.309391 468.1629 8.387136 -4.310699      11.80636 
1 1 1 20  8  5  o 380.0290 4.914629 17497.05       451.7989 17708.89       645.7601 17293.93       632.3317 382.2787 6.982143 377.7793 6.918382 4.499420       9.829259 
1 1 1 20  8  6  o 422.1116 5.406841 21589.06       551.7269 22194.57       799.9766 21039.77       761.9321 427.7372 7.730329 416.4861 7.561595 11.25107       10.81368 
1 1 1 20  8  7  o 241.2079 3.396656 7047.426       198.2186 7033.062       279.9615 7061.866       280.6867 240.9615 4.802290 241.4543 4.804903 -0.4927521     6.793312 
1 1 1 20  8  8  o 121.3429 2.424160 1781.186       71.13714 1716.694       99.10486 1849.731       102.1714 119.0786 3.440005 123.6072 3.416515 -4.528648      4.848320 
1 1 1 20  8  9  o 327.1105 5.000041 13111.54       345.6077 13237.39       401.8987 12754.31       677.1316 330.4694 5.026701 323.7516 8.644878 6.717773       10.00008 
1 1 1 20  8  10 o 89.11024 3.053531 969.7673       53.76765 975.3998       60.64652 949.0780       116.2327 89.76369 2.792562 88.45680 5.431188 1.306892       6.107062 
1 1 1 20  8  11 o 56.47006 4.484691 401.5002       43.67113 407.8119       47.55431 367.5193       110.3400 58.02610 3.387382 54.91403 8.305145 3.112068       8.969381 
1 1 1 20  8  12 o 107.0487 3.249448 1377.948       66.25266 1370.193       73.60142 1411.065       152.1055 106.3637 2.860161 107.7336 5.835676 -1.369949      6.498895 
1 1 1 20  8  13 o 105.1091 3.239162 1330.363       64.85828 1322.877       72.06237 1362.284       148.8161 104.4826 2.850771 105.7355 5.817369 -1.252937      6.478324 
1 1 1 20  8  14 o 195.0351 3.601408 4549.400       141.0708 4478.482       159.3326 4806.663       303.4706 192.0390 3.429360 198.0312 6.334038 -5.992249      7.202815 
1 1 1 20  8  15 o 28.37294 5.551429 122.9482       38.16538 144.7190       40.73907 -33.20642      109.1068 34.38546 4.897044 22.36043 9.964559 12.02502       11.10286 
1 1 1 20  8  16 o 19.62778 6.082780 2.226967       38.53125 0.8267309      41.30641 11.60976       106.9258 15.05374 6.423656 24.20181 10.33138 -9.148065      12.16556 
1 1 1 20  8  17 o 86.79173 3.833057 936.7353       60.47698 937.1642       66.49452 934.6818       145.4834 87.61774 3.136833 85.96572 6.994968 1.652023       7.666114 
1 1 1 20  8  18 o 32.39564 6.311935 163.4824       49.26518 185.9038       53.56812 40.49970       125.4577 38.38737 5.767872 26.40391 11.22915 11.98347       12.62387 
1 1 1 20  8  19 o 19.93901 6.494975 -53.55090      49.60207 -75.88153      53.70092 76.20464       129.4476 12.32107 5.952213 27.55695 11.54599 -15.23588      12.98995 
1 1 1 20  8  20 o 24.59497 7.629989 52.06792       88.94070 93.19453       107.0928 -39.35752      159.6733 26.09752 10.67517 23.09241 10.90448 3.005106       15.25998 
1 1 1 20  10 0  o 465.3501 5.912182 25935.67       659.7926 28398.06       1017.507 24149.08       866.7053 484.1708 8.686330 446.5294 8.022672 37.64139       11.82436 
1 1 1 20  10 1  o 276.4806 3.791289 9251.040       253.5686 9157.999       355.1001 9347.842       362.2060 275.0632 5.336002 277.8979 5.387261 -2.834717      7.582579 
1 1 1 20  10 2  o 356.2219 4.656879 15367.34       401.3447 15382.41       568.0544 15352.33       567.1209 356.3961 6.588017 356.0477 6.583626 0.3483276      9.313759 
1 1 1 20  10 3  o 215.8682 3.184062 5640.776       166.2914 5660.030       235.0576 5621.485       235.2857 216.2373 4.493050 215.4991 4.512816 0.7381744      6.368124 
1 1 1 20  10 4  o 438.0786 5.596408 23215.32       591.9720 22377.55       807.0574 24190.96       870.9371 429.5668 7.765535 446.5903 8.060745 -17.02353      11.19282 
1 1 1 20  10 5  o 249.8444 3.517761 7507.446       211.6748 7029.663       283.3666 8110.640       318.3921 240.9208 4.861518 258.7679 5.085685 -17.84711      7.035521 
1 1 1 20  10 6  o 235.0656 3.355114 6690.542       190.7579 6587.643       266.0520 6799.407       273.6534 233.2083 4.715419 236.9230 4.774096 -3.714767      6.710229 
1 1 1 20  10 7  o 253.2739 3.542793 7772.982       217.0847 7821.076       308.2225 7725.642       305.8002 254.0509 5.014658 252.4969 5.005868 1.553986       7.085585 
1 1 1 20  10 8  o 233.6394 4.134936 6644.964       220.4471 6693.901       270.6407 6548.483       380.0085 235.0275 4.759618 232.2512 6.762901 2.776276       8.269873 
1 1 1 20  10 9  o 94.02652 2.517801 1071.382       56.95662 1224.077       81.77686 927.5271       79.37450 100.5430 3.361835 87.51005 3.749046 13.03294       5.035601 
1 1 1 20  10 10 o 177.9950 2.869975 3839.082       123.5913 3838.589       174.6926 3839.576       174.8766 177.9837 4.056878 178.0063 4.060636 -0.2261353E-01 5.739950 
1 1 1 20  10 11 o 217.7498 3.999453 5832.506       199.2035 5991.951       246.5085 5532.421       338.1804 222.2507 4.584442 213.2488 6.554800 9.001816       7.998907 
1 1 1 20  10 12 o 50.48760 5.065835 321.4753       41.55801 323.6249       44.96056 308.8638       108.9005 51.65928 3.597336 49.31592 9.471532 2.343365       10.13167 
1 1 1 20  10 13 o 61.62649 4.282034 429.2919       45.96941 415.0297       49.59651 516.2404       122.4585 58.47397 3.505793 64.77901 7.813622 -6.305038      8.564069 
1 1 1 20  10 14 o 43.78475 6.241933 247.6167       44.56201 249.1967       47.76342 237.0018       123.8025 45.20572 4.367166 42.36378 11.69508 2.841938       12.48387 
1 1 1 20  10 15 o 49.58497 4.977331 250.4231       42.56327 230.0689       45.46999 394.5271       120.9861 43.37060 4.333383 55.79934 8.961979 -12.42874      9.954661 
1 1 1 20  10 16 o 83.41457 4.054521 905.0861       60.06666 926.9344       66.08121 801.1898       144.1019 87.19711 3.132374 79.63203 7.479624 7.565079       8.109041 
1 1 1 20  10 17 o 40.53883 6.514527 200.6845       48.34734 191.2659       52.45188 253.8965       124.6730 39.11134 5.543143 41.96632 11.79109 -2.854980      13.02905 
1 1 1 20  10 18 o 84.49727 4.219157 927.5749       65.09038 938.2244       71.96864 879.7145       152.5693 87.30725 3.407146 81.68729 7.719877 5.619957       8.438313 
1 1 1 20  10 19 o 18.54350 5.901959 -6.754132      53.11132 29.71123       57.79266 -204.8781      134.7103 19.15635 7.839692 17.93064 8.824496 1.225706       11.80392 
1 1 1 20  10 20 o 19.78617 6.598310 -65.21192      88.69363 31.56454       108.2764 -262.5818      154.6284 22.05280 9.869716 17.51953 8.760110 4.533272       13.19662 
1 1 1 20  12 0  o 302.7786 4.077568 11069.99       298.0670 11597.95       439.1961 10619.18       405.8383 309.4448 5.866418 296.1123 5.664926 13.33252       8.155136 
1 1 1 20  12 1  o 612.3802 7.670290 45564.29       1136.187 44994.63       1587.843 46162.01       1626.476 608.4750 10.78605 616.2856 10.90846 -7.810608      15.34058 
1 1 1 20  12 2  o 399.7713 5.158153 19377.72       498.8730 19503.93       709.4797 19254.30       701.6119 401.0565 7.311932 398.4861 7.277487 2.570404       10.31631 
1 1 1 20  12 3  o 65.47961 2.914129 519.1303       46.16277 516.1601       65.51947 522.0582       65.05109 65.29325 4.147628 65.66596 4.094604 -0.3727112     5.828259 
1 1 1 20  12 4  o 505.7564 6.401132 31017.44       781.8674 29989.63       1068.186 32203.61       1147.528 496.7939 8.887264 514.7189 9.214905 -17.92499      12.80226 
1 1 1 20  12 5  o 236.3875 3.392550 6769.456       194.0195 6741.185       273.3871 6798.143       275.3938 235.8909 4.790320 236.8842 4.805247 -0.9933472     6.785099 
1 1 1 20  12 6  o 304.6525 4.101512 11248.50       302.1931 11475.99       434.7650 11035.87       420.3317 307.6256 5.841573 301.6794 5.758962 5.946228       8.203025 
1 1 1 20  12 7  o 252.5428 3.550993 7730.174       216.9541 7796.713       308.5965 7665.146       305.0728 253.6165 5.029342 251.4691 5.014371 2.147430       7.101985 
1 1 1 20  12 8  o 57.46872 3.272836 402.6789       45.13388 344.9577       64.02012 459.7158       63.63947 53.34154 4.960765 61.59591 4.270438 -8.254368      6.545672 
1 1 1 20  12 9  o 243.2613 4.924137 7176.463       289.8047 0.000000       0.000000 7176.463       289.8047 ?        ?        243.2613 4.924137 ?              ?        
1 1 1 20  12 10 o 193.8607 3.022053 4555.727       141.7190 4659.480       202.3075 4455.755       198.5860 196.0282 4.265708 191.6932 4.281932 4.335052       6.044106 
1 1 1 20  12 11 o 56.77560 3.313323 392.6790       45.16853 333.9866       63.29593 453.5808       64.47633 52.42442 4.990451 61.12679 4.359799 -8.702374      6.626647 
1 1 1 20  12 12 o 175.9330 2.899312 3759.920       123.3934 3731.818       172.9196 3789.077       176.1339 175.2674 4.077940 176.5987 4.122431 -1.331299      5.798623 
1 1 1 20  12 13 o 47.47526 5.406198 253.4268       43.52726 241.0541       46.92569 329.6847       116.4988 44.47779 4.360789 50.47272 9.894009 -5.994923      10.81240 
1 1 1 20  12 14 o 72.09366 4.436430 645.1610       55.97206 646.6212       60.98520 637.3586       140.9702 72.87667 3.458865 71.31064 8.170917 1.566032       8.872859 
1 1 1 20  12 15 o 94.54277 3.936216 1159.672       66.12835 1188.258       72.75265 1023.795       158.6153 98.78227 3.044160 90.30326 7.260047 8.479012       7.872433 
1 1 1 20  12 16 o 89.94339 3.879646 947.8637       62.94885 919.3428       68.58125 1100.416       158.6113 86.72765 3.268477 93.15913 7.037304 -6.431473      7.759291 
1 1 1 20  12 17 o 31.51831 6.663809 148.6276       50.25631 164.2313       54.53978 60.83284       129.3699 35.34891 6.620576 27.68772 11.56691 7.661188       13.32762 
1 1 1 20  12 18 o 42.74423 6.674339 257.3175       53.85052 255.2376       59.23551 267.2219       129.2633 44.70776 5.476422 40.78070 12.17358 3.927055       13.34868 
1 1 1 20  12 19 o 17.20479 5.751782 -34.71788      54.57409 -2.439692      58.93538 -228.9114      144.5569 16.58247 7.360354 17.82712 8.840654 -1.244650      11.50356 
1 1 1 20  14 0  o 404.1237 5.221818 19806.23       510.3288 20135.69       734.7507 19499.16       709.3473 407.3572 7.455251 400.8901 7.313601 6.467102       10.44364 
1 1 1 20  14 1  o 238.2454 3.427465 6875.668       197.5599 6854.396       279.1950 6897.001       279.5892 237.8761 4.851260 238.6148 4.843071 -0.7387085     6.854929 
1 1 1 20  14 2  o 262.3356 3.669295 8306.306       232.2798 7907.980       314.9380 8781.439       343.9643 255.4739 5.095375 269.1973 5.281294 -13.72339      7.338591 
1 1 1 20  14 3  o 108.1226 2.612648 1415.467       68.34363 1411.530       96.49655 1419.430       96.80919 107.9717 3.694021 108.2734 3.695664 -0.3016663     5.225297 
1 1 1 20  14 4  o 167.1508 2.829523 3383.724       114.4171 3439.333       162.1366 3328.560       161.4858 168.5200 3.976742 165.7816 4.026204 2.738403       5.659045 
1 1 1 20  14 5  o 261.7903 3.671556 8300.655       232.3995 8107.698       321.8190 8510.944       335.9620 258.6190 5.143385 264.9617 5.240886 -6.342773      7.343112 
1 1 1 20  14 6  o 388.1325 5.047467 18237.31       472.6646 17468.87       640.3374 19157.24       700.6202 379.2189 6.979375 397.0460 7.293559 -17.82709      10.09493 
1 1 1 20  14 7  f 182.1636 2.954753 4001.663       129.8699 3763.401       175.9340 4286.939       192.5108 176.2378 4.126183 188.0894 4.230469 -11.85161      5.909505 
1 1 1 20  14 8  o 230.2099 3.369196 6424.756       187.6115 6324.633       262.0247 6530.083       268.7486 228.3728 4.742371 232.0470 4.787051 -3.674210      6.738393 
1 1 1 20  14 9  o 239.3284 3.458682 6951.279       200.2584 7032.191       284.4496 6871.764       281.9829 240.7103 4.884367 237.9465 4.898253 2.763733       6.917364 
1 1 1 20  14 10 o 219.9152 3.271684 5866.510       173.9121 5706.588       239.7848 6044.002       252.6141 216.7676 4.572197 223.0628 4.680886 -6.295227      6.543369 
1 1 1 20  14 11 o 103.9347 2.703652 1312.042       67.96013 1327.404       95.17803 1296.063       97.07017 104.5617 3.762372 103.3076 3.883748 1.254089       5.407304 
1 1 1 20  14 12 o 124.4579 2.723431 1884.184       82.00368 1899.696       116.2871 1868.839       115.6569 124.9684 3.846174 123.9474 3.856843 1.021034       5.446861 
1 1 1 20  14 13 o 18.90742 5.369993 10.93593       39.32836 51.95675       58.69893 -22.47792      52.97748 22.46592 8.243559 15.34891 6.884114 7.117012       10.73999 
1 1 1 20  14 14 f 28.65931 5.570545 102.0029       43.96534 37.73214       61.57942 168.8278       62.79104 21.24651 8.291109 36.07212 7.441867 -14.82561      11.14109 
1 1 1 20  14 15 o 45.24798 7.007082 329.6569       53.13745 350.0171       56.73122 184.0571       151.7089 53.32341 4.397460 37.17255 13.30636 16.15086       14.01416 
1 1 1 20  14 16 o 20.62665 6.261142 21.28902       48.63094 42.89540       52.28728 -117.1921      132.3733 20.45117 7.726177 20.80214 9.854633 -0.3509712     12.52228 
1 1 1 20  14 17 o 48.11100 6.228606 172.7068       51.92055 118.3268       54.93176 628.3165       159.0011 29.33442 7.657856 66.88758 9.825445 -37.55316      12.45721 
1 1 1 20  14 18 o 25.25265 7.406344 71.66273       54.74641 74.92509       57.53759 40.46401       177.9321 23.44938 8.213865 27.05592 12.32672 -3.606543      14.81269 
1 1 1 20  16 0  o 458.0024 5.868232 25485.62       649.8959 26047.17       937.9171 24966.99       901.3560 462.8302 8.376073 453.1747 8.221071 9.655518       11.73646 
1 1 1 20  16 1  o 177.3847 2.948968 3810.720       126.5457 3766.466       177.4712 3856.493       180.4922 176.3378 4.159874 178.4316 4.181040 -2.093796      5.897936 
1 1 1 20  16 2  f 107.1361 3.787832 1390.067       98.18129 0.000000       0.000000 1390.067       98.18129 ?        ?        107.1361 3.787832 ?              ?        
1 1 1 20  16 3  o 154.2052 2.798896 2880.225       104.4197 2860.339       147.3098 2900.308       148.0364 153.6700 3.962235 154.7404 3.954235 -1.070343      5.597793 
1 1 1 20  16 4  o 183.0240 4.206701 4058.483       186.2738 0.000000       0.000000 4058.483       186.2738 ?        ?        183.0240 4.206701 ?              ?        
1 1 1 20  16 5  o 136.0047 2.749324 2241.414       90.44130 2276.055       127.1208 2205.907       128.7004 137.0718 3.833242 134.9375 3.942257 2.134293       5.498648 
1 1 1 20  16 6  o 179.4375 2.971474 3902.258       128.9928 3902.171       181.5077 3902.346       183.3529 179.4372 4.181001 179.4378 4.223490 -0.6256104E-03 5.942949 
1 1 1 20  16 7  o 109.7445 2.760658 1460.376       73.26046 1485.452       102.5298 1434.219       104.7167 110.7115 3.827852 108.7775 3.979005 1.933990       5.521316 
1 1 1 20  16 8  f 112.4956 2.720213 1533.773       73.98866 1513.982       102.5530 1555.257       106.8508 111.7429 3.793377 113.2484 3.899812 -1.505470      5.440427 
1 1 1 20  16 9  o 164.4132 2.887354 3280.409       114.7976 3248.940       159.5861 3314.155       165.2592 163.6035 4.031810 165.2228 4.134217 -1.619308      5.774707 
1 1 1 20  16 10 o 94.04988 2.842836 1072.555       64.60455 1148.372       93.73447 1003.949       89.16592 97.21259 3.985424 90.88718 4.055029 6.325417       5.685672 
1 1 1 20  16 11 f 72.81571 3.128677 645.4343       55.00872 704.6035       79.36075 590.7173       76.31669 76.03690 4.313989 69.59452 4.532546 6.442383       6.257353 
1 1 1 20  16 12 o 55.26306 3.892968 376.2237       51.85526 414.2601       73.48237 338.4922       73.18733 58.09473 5.228102 52.43139 5.769554 5.663338       7.785936 
1 1 1 20  16 13 o 87.75078 3.028734 943.4670       64.25754 937.1595       92.39886 949.3748       89.42200 87.44493 4.367467 88.05662 4.197397 -0.6116867     6.057468 
1 1 1 20  16 14 o 92.25764 2.963300 1045.548       66.12929 1074.417       94.41502 1017.746       92.65178 93.51339 4.173159 91.00190 4.208245 2.511490       5.926600 
1 1 1 20  16 15 o 119.1306 2.890176 1750.580       83.26038 1677.413       116.9176 1825.862       118.5962 116.5722 4.145555 121.6891 4.028255 -5.116859      5.780352 
1 1 1 20  16 16 o 68.86429 6.102599 691.5342       65.95808 714.5334       71.83588 567.9952       166.4895 75.93858 3.909999 61.78999 11.56195 14.14858       12.20520 
1 1 1 20  16 17 o 26.66772 8.114742 36.33428       59.86990 16.12217       63.18086 214.1582       187.4023 18.62122 7.945187 34.71421 14.15168 -16.09299      16.22948 
1 1 1 20  16 18 o 50.94427 7.908193 498.8959       70.84580 514.3455       75.82080 392.6235       198.8568 62.68412 4.999523 39.20441 15.00543 23.47970       15.81639 
1 1 1 20  18 0  o 310.9490 4.212257 11713.87       316.4706 11343.29       434.2402 12133.66       462.1792 305.7281 5.870734 316.1698 6.042097 -10.44174      8.424515 
1 1 1 20  18 1  o 288.3235 3.970349 10077.13       276.7750 9839.447       383.0824 10336.68       400.3246 284.7786 5.560099 291.8684 5.669214 -7.089844      7.940699 
1 1 1 20  18 2  f 235.1027 3.445593 6695.960       195.8628 6867.333       283.1596 6538.747       271.2102 237.9792 4.918016 232.2262 4.827169 5.753036       6.891186 
1 1 1 20  18 3  o 65.93578 3.546940 527.0889       56.53344 558.0663       80.82622 497.4188       79.10236 67.83479 4.924901 64.03675 5.105730 3.798042       7.093879 
1 1 1 20  18 4  o 283.3311 3.921134 9684.495       267.6539 10398.89       401.6339 9113.762       358.9858 292.6480 5.672604 274.0141 5.415046 18.63397       7.842268 
1 1 1 20  18 5  o 277.9901 3.872031 9385.494       260.4109 9368.044       366.8111 9403.226       369.7598 277.7329 5.458996 278.2471 5.492710 -0.5141907     7.744062 
1 1 1 20  18 6  o 219.2978 3.315504 5838.570       175.9043 5863.973       248.3046 5812.977       249.2304 219.7798 4.669761 218.8158 4.707823 0.9640808      6.631008 
1 1 1 20  18 7  o 97.84511 2.872422 1161.912       67.97131 1158.802       94.77357 1165.207       97.53793 97.71455 4.008904 97.97568 4.114840 -0.2611313     5.744843 
1 1 1 20  18 8  o 166.4068 4.079021 3364.036       164.2212 3364.036       164.2212 0.000000       0.000000 166.4068 4.079021 ?        ?        ?              ?        
1 1 1 20  18 9  o 146.2231 2.889374 2600.711       102.1692 2712.512       145.6495 2492.404       143.3561 149.3274 4.031505 143.1189 4.140157 6.208511       5.778749 
1 1 1 20  18 10 o 19.04083 5.448643 -1.448209      43.89254 -66.80397      63.47459 58.43923       60.76113 14.70639 6.923314 23.37527 8.415376 -8.668884      10.89729 
1 1 1 20  18 11 o 22.59089 5.872296 40.60678       45.77985 -8.912080      64.06440 92.27907       65.44256 17.95109 7.830341 27.23068 8.753353 -9.279594      11.74459 
1 1 1 20  18 12 o 53.08936 4.199931 349.6750       53.93975 343.6321       75.70303 355.9064       76.87514 52.62207 5.946249 53.55666 5.932942 -0.9345894     8.399861 
1 1 1 20  18 13 o 58.10009 4.042283 424.2508       55.89530 513.6701       79.49817 336.8290       78.60519 64.38068 5.103866 51.81950 6.269828 12.56118       8.084565 
1 1 1 20  18 14 o 67.68343 3.730099 571.6212       60.99693 614.2615       88.46770 532.9822       84.21472 70.10886 5.215662 65.25800 5.333987 4.850868       7.460198 
1 1 1 20  18 15 o 65.98604 3.871703 554.0752       61.50927 581.9200       84.49342 522.6819       89.71575 67.93562 5.140709 64.03645 5.790808 3.899170       7.743407 
1 1 1 20  18 16 f 25.11996 6.757514 81.86597       56.98298 92.06507       79.58617 71.13769       81.62469 25.95576 9.586669 24.28417 9.526372 1.671583       13.51503 
1 1 1 20  18 17 o 52.66322 8.126012 565.0687       85.88667 602.5660       94.15652 379.2980       209.5748 67.07992 5.801703 38.24653 15.18119 28.83339       16.25202 
1 1 1 20  20 0  o 122.0217 2.851922 1803.021       84.14653 1881.104       121.2193 1730.404       116.9005 124.5694 4.022150 119.4740 4.044272 5.095322       5.703844 
1 1 1 20  20 1  o 241.0762 3.535906 7054.628       206.2277 7050.214       290.6088 7059.106       292.7026 241.0030 4.984069 241.1495 5.016929 -0.1464996     7.071812 
1 1 1 20  20 2  o 82.27634 3.234581 821.5052       64.37475 801.6609       90.87287 841.4960       91.20734 81.27622 4.621346 83.27646 4.526945 -2.000237      6.469163 
1 1 1 20  20 3  o 43.18742 4.972516 232.3752       50.30216 217.7238       74.75037 244.5010       68.00333 41.56694 7.717091 44.80790 6.272972 -3.240963      9.945032 
1 1 1 20  20 4  o 113.6341 2.872971 1560.465       78.81828 1455.536       107.4580 1682.651       115.9585 109.5175 4.055581 117.7508 4.070395 -8.233345      5.745942 
1 1 1 20  20 5  o 88.07835 3.030783 940.5984       64.49284 873.4090       89.27748 1013.926       93.26654 84.78930 4.352097 91.36739 4.219221 -6.578094      6.061565 
1 1 1 20  20 6  f 30.67753 5.697394 111.2935       48.93207 24.35686       67.96935 204.8265       70.50085 21.14288 8.558234 40.21218 7.523152 -19.06930      11.39479 
1 1 1 20  20 7  o 69.21873 5.338048 641.5198       75.68256 698.2928       88.86564 491.6122       144.4025 75.66762 4.854243 62.76986 9.508699 12.89776       10.67610 
1 1 1 20  20 8  o 132.4751 2.844321 2133.281       91.05926 2016.244       125.4870 2263.453       132.3406 128.6436 4.031887 136.3065 4.013046 -7.662964      5.688643 
1 1 1 20  20 9  o 99.03948 2.971424 1198.285       71.18112 1219.854       100.2063 1176.316       101.1307 99.95238 4.143806 98.12658 4.259848 1.825806       5.942847 
1 1 1 20  20 10 o 37.00000 6.260361 180.9673       55.37958 165.6574       78.89255 195.8396       77.75691 35.38131 9.148620 38.61868 8.548172 -3.237366      12.52072 
1 1 1 20  20 11 o 89.21771 3.140237 977.8259       67.72339 964.2404       93.58008 992.7654       98.13271 88.59119 4.366068 89.84422 4.514621 -1.253029      6.280474 
1 1 1 20  20 12 o 38.02058 5.923954 193.3893       56.90781 89.54253       79.24879 303.9487       81.77000 27.10767 9.626378 48.93350 6.906936 -21.82584      11.84791 
1 1 1 20  20 13 o 41.66996 5.882671 235.0270       57.20370 225.9611       79.34819 244.8376       82.54285 40.81488 8.317814 42.52504 8.320891 -1.710167      11.76534 
1 1 1 20  20 14 o 73.59880 3.729315 685.7675       66.37792 707.8939       95.50751 665.0939       92.31881 74.74139 5.281704 72.45622 5.266380 2.285164       7.458630 
1 1 1 20  20 15 o 61.24701 4.656120 494.3146       68.34811 411.0594       92.28706 595.4537       101.7172 55.32105 6.895220 67.17296 6.258894 -11.85191      9.312240 
1 1 1 20  20 16 o 18.77022 5.987957 -12.70280      60.38494 42.68182       82.92553 -75.22057      88.10395 21.28295 9.092170 16.25749 7.794549 5.025452       11.97591 
1 1 1 20  22 0  o 202.6900 3.196865 4990.310       156.7176 5124.860       225.1095 4863.763       218.3110 205.3374 4.531306 200.0427 4.510770 5.294754       6.393730 
1 1 1 20  22 1  o 47.58308 5.099927 288.6939       54.88831 194.8726       77.37436 383.7350       77.87567 39.07051 8.432729 56.09565 5.738130 -17.02514      10.19985 
1 1 1 20  22 2  o 71.76788 3.440259 626.6872       59.70640 637.9575       86.02721 616.2131       82.93298 72.38566 4.912256 71.15010 4.817808 1.235558       6.880518 
1 1 1 20  22 3  o 118.6465 2.838255 1704.853       81.29498 1866.859       118.8305 1562.320       111.4601 123.9326 3.963147 113.3605 4.064016 10.57211       5.676509 
1 1 1 20  22 4  o 39.43057 5.626616 201.4313       52.15392 155.1772       77.52227 239.6760       70.49156 34.68572 9.117749 44.17542 6.595598 -9.489700      11.25323 
1 1 1 20  22 5  o 107.4451 2.897125 1404.473       75.22266 1440.061       109.5578 1372.732       103.4652 108.7189 4.165203 106.1714 4.027955 2.547478       5.794250 
1 1 1 20  22 6  o 28.85881 6.183558 95.46336       48.88199 158.8468       75.62505 49.97832       64.06371 34.91215 8.920452 22.80547 8.565691 12.10669       12.36712 
1 1 1 20  22 7  o 47.24511 5.217834 284.7862       57.46433 259.4443       85.74187 305.4510       77.42648 44.82626 8.208525 49.66396 6.443857 -4.837692      10.43567 
1 1 1 20  22 8  o 59.47414 4.340826 440.6245       61.92702 374.5059       87.28757 507.6305       87.87143 54.85314 6.577315 64.09515 5.666570 -9.242008      8.681652 
1 1 1 20  22 9  o 50.44472 4.835382 319.3763       58.95543 336.8670       83.72602 302.1753       83.02947 51.85815 6.673306 49.03128 6.999334 2.826870       9.670765 
1 1 1 20  22 10 o 70.64838 3.797009 620.4180       64.88344 602.0139       90.74976 639.6642       92.80276 69.56914 5.391710 71.72761 5.347764 -2.158470      7.594018 
1 1 1 20  22 11 o 21.96762 6.492045 24.43391       57.84183 10.42290       80.41630 39.45306       83.25916 20.84381 8.930311 23.09142 9.425294 -2.247612      12.98409 
1 1 1 20  22 12 f 91.70561 3.458682 1054.297       76.63897 1071.380       106.3045 1035.808       110.5902 92.57166 4.746477 90.83957 5.031985 1.732094       6.917363 
1 1 1 20  22 13 o 34.78569 6.985090 180.0447       61.28589 180.4936       81.64304 179.4652       92.76009 35.08321 9.420125 34.48817 10.31635 0.5950394      13.97018 
1 1 1 20  22 14 o 72.45472 4.055531 701.2007       69.48418 789.3369       93.70529 593.5444       103.5635 78.33633 4.944229 66.57311 6.429923 11.76321       8.111061 
1 1 1 20  24 0  o 180.1904 3.085340 3948.908       134.2830 4184.168       196.8782 3744.259       183.6237 185.1823 4.394361 175.1984 4.332077 9.983887       6.170681 
1 1 1 20  24 1  o 184.6732 3.118533 4147.958       139.0650 4421.600       204.4980 3912.552       189.6730 190.3065 4.441536 179.0399 4.378784 11.26657       6.237066 
1 1 1 20  24 2  o 136.6573 2.926406 2265.256       96.46291 2461.899       143.2629 2102.163       130.4709 142.0428 4.168812 131.2718 4.108092 10.77100       5.852812 
1 1 1 20  24 3  o 68.82404 3.693362 584.8195       61.11073 540.6860       89.28842 623.7109       83.81798 66.29899 5.566547 71.34908 4.855640 -5.050087      7.386724 
1 1 1 20  24 4  o 93.90321 3.091041 1064.039       69.73611 1222.012       106.2854 944.6258       92.40788 99.93311 4.396044 87.87331 4.346601 12.05980       6.182082 
1 1 1 20  24 5  o 27.25068 6.626765 89.00785       52.67305 84.43695       79.81955 92.53378       70.10435 27.11725 9.657647 27.38411 9.076670 -0.2668629     13.25353 
1 1 1 20  24 6  o 69.81214 3.694310 604.4163       61.88222 576.7214       92.36747 626.9700       83.35427 68.25204 5.593725 71.37224 4.827210 -3.120193      7.388621 
1 1 1 20  24 7  o 84.89663 3.569378 888.0247       73.11804 931.4661       108.2757 851.6072       99.13671 86.75825 5.158433 83.03501 4.934815 3.723236       7.138756 
1 1 1 20  24 8  o 38.75887 6.765919 205.5872       63.02556 207.5375       91.05545 203.7935       87.32475 38.88557 9.708469 38.63216 9.426359 0.2534103      13.53184 
1 1 1 20  24 9  o 81.78440 3.571940 834.2054       70.57781 779.5815       99.22989 890.1305       100.4047 79.00563 5.191372 84.56317 4.907613 -5.557541      7.143879 
1 1 1 20  24 10 o 19.45562 6.039244 -8.090786      55.66246 22.00223       77.81428 -39.62453      79.65521 21.11487 8.904699 17.79637 8.160649 3.318499       12.07849 
1 1 1 20  24 11 o 33.48692 6.892879 165.5618       60.13105 192.0257       82.08369 134.9125       88.33647 36.45008 9.282823 30.52374 10.19198 5.926340       13.78576 
1 1 1 20  24 12 o 43.10966 6.617218 276.2997       67.01095 262.9074       92.86650 290.8479       96.79085 41.96692 9.382020 44.25240 9.334239 -2.285480      13.23444 
1 1 1 20  24 13 o 30.15898 7.353828 151.4887       64.90317 133.7901       87.24916 173.4163       97.11539 28.57691 10.10568 31.74105 10.68599 -3.164141      14.70766 
1 1 1 20  26 0  o 107.1441 3.082898 1400.909       79.69192 1503.649       118.2233 1315.349       107.8873 110.7083 4.413881 103.5799 4.305193 7.128464       6.165796 
1 1 1 20  26 1  o 79.67397 3.592077 780.8030       69.03172 808.1727       102.3380 757.9518       93.50945 80.90673 5.228174 78.44121 4.927299 2.465523       7.184155 
1 1 1 20  26 2  o 109.9765 3.112902 1488.877       82.50917 1443.724       120.9949 1528.126       112.8062 108.3312 4.616479 111.6217 4.177170 -3.290443      6.225803 
1 1 1 20  26 3  o 32.68296 6.149344 114.8639       56.62442 262.2640       90.33018 19.44855       72.67634 44.49502 8.702873 20.87090 8.690095 23.62412       12.29869 
1 1 1 20  26 4  o 94.70644 3.351049 1105.162       76.65160 1152.535       112.4648 1064.066       104.7494 96.56612 4.813818 92.84676 4.663184 3.719368       6.702098 
1 1 1 20  26 5  o 51.05733 5.395916 356.6694       60.85682 256.7181       93.83472 429.2327       79.95175 43.51045 9.201417 58.60421 5.638932 -15.09377      10.79183 
1 1 1 20  26 6  o 50.75114 4.974364 333.7277       60.13487 296.2227       89.59835 364.4702       81.11951 47.82887 7.742970 53.67341 6.246889 -5.844540      9.948729 
1 1 1 20  26 7  o 40.86468 6.095798 228.6615       59.39967 187.3490       85.95949 266.4171       82.17583 36.48274 9.606389 45.24661 7.506815 -8.763874      12.19160 
1 1 1 20  26 8  o 36.14472 7.999309 201.3471       83.20623 110.9578       132.9908 259.4884       106.6609 30.21984 12.06233 42.06961 10.50980 -11.84977      15.99862 
1 1 1 20  26 9  o 46.02684 8.763436 335.4556       97.68629 380.9637       158.2445 307.4361       124.1694 47.68147 13.24442 44.37222 11.47940 3.309246       17.52687 
1 1 1 20  26 10 o 65.88184 7.427643 675.5630       107.9451 590.6008       175.7093 727.0673       136.8053 59.23887 12.64477 72.52480 7.796755 -13.28593      14.85529 
1 1 1 20  26 11 o 24.43915 7.717538 50.05204       92.36471 40.21416       144.5836 56.83522       120.0562 24.60805 11.17284 24.27025 10.64938 0.3377991      15.43508 
1 1 1 20  28 0  o 37.31719 6.661987 190.7481       60.44012 229.8131       89.16165 157.5361       82.21125 40.89261 9.230999 33.74178 9.608171 7.150837       13.32397 
1 1 1 20  28 1  o 91.10225 3.400365 1020.082       74.45597 1193.276       112.0238 883.0297       99.65196 97.98997 4.725269 84.21452 4.890987 13.77545       6.800730 
1 1 1 20  28 2  o 90.04790 4.510231 1025.059       94.83618 1060.440       156.7753 1004.640       119.0979 90.69341 7.144956 89.40238 5.506208 1.291023       9.020461 
1 1 1 21  1  0  o 410.0040 5.234208 20350.89       519.1643 20521.46       740.0399 20185.60       728.5142 411.6940 7.429819 408.3139 7.374653 3.380096       10.46842 
1 1 1 21  1  1  o 576.2188 7.185874 40216.93       1001.606 39798.98       1401.205 40653.63       1432.277 573.1630 10.10465 579.2745 10.21975 -6.111572      14.37175 
1 1 1 21  1  2  o 1107.378 16.57625 150928.9       4262.856 155084.0       5369.129 143843.0       7011.573 1129.391 19.64976 1085.365 26.70159 44.02576       33.15249 
1 1 1 21  1  3  o 446.2411 5.660543 24108.86       611.1224 24073.56       862.7856 24144.39       865.7372 445.9138 7.997416 446.5685 8.013009 -0.6546936     11.32109 
1 1 1 21  1  4  o 221.4229 3.155293 5928.495       168.9577 6068.978       243.3467 5797.741       234.7686 223.9533 4.491233 218.8924 4.433095 5.060898       6.310586 
1 1 1 21  1  5  o 383.9719 4.944835 17850.12       459.3571 17898.01       651.1345 17802.66       648.1340 384.4843 6.999866 383.4594 6.986233 1.024902       9.889670 
1 1 1 21  1  6  f 409.7213 5.240426 20334.29       519.4620 20391.58       736.4659 20277.56       732.8082 410.2950 7.419149 409.1476 7.403006 1.147491       10.48085 
1 1 1 21  1  7  o 369.2739 6.762603 16524.45       604.1779 16524.45       604.1779 0.000000       0.000000 369.2739 6.762603 ?        ?        ?              ?        
1 1 1 21  1  8  o 243.3427 3.889891 7379.954       205.1810 7658.840       243.9429 6705.533       379.3495 251.5156 4.008860 235.1698 6.667386 16.34573       7.779781 
1 1 1 21  1  9  o 305.6691 4.718379 11240.79       298.7965 11153.62       342.5468 11518.14       611.0255 303.4356 4.666069 307.9026 8.202452 -4.466980      9.436758 
1 1 1 21  1  10 o 298.5246 4.603711 10895.71       290.5016 10982.21       337.7155 10649.61       569.6519 301.0583 4.636582 295.9909 7.954792 5.067383       9.207421 
1 1 1 21  1  11 o 342.0209 5.194762 14188.88       370.8758 14159.92       427.3694 14277.22       746.3870 341.7273 5.169177 342.3145 9.012316 -0.5872498     10.38952 
1 1 1 21  1  12 o 92.72524 2.824384 1017.483       53.79792 996.5228       61.24618 1088.281       112.5602 90.72455 2.790306 94.72594 4.911495 -4.001389      5.648769 
1 1 1 21  1  13 o 96.72855 3.040202 1116.515       65.98640 1086.882       79.12732 1184.176       119.5677 94.70330 3.453496 98.75380 5.004465 -4.050499      6.080403 
1 1 1 21  1  14 o 84.78836 2.528717 872.1068       51.86713 854.3050       73.01664 890.2385       73.69041 83.91364 3.596557 85.66309 3.555617 -1.749443      5.057434 
1 1 1 21  1  15 o 54.86647 3.252387 369.7578       42.80033 416.3105       59.71720 320.5854       61.37443 58.47774 4.220914 51.25520 4.949340 7.222542       6.504774 
1 1 1 21  1  16 o 157.2224 2.704582 3004.358       102.7162 3199.260       150.3121 2833.609       140.6902 161.9880 3.835383 152.4567 3.814301 9.531265       5.409164 
1 1 1 21  1  17 o 98.30885 2.634351 1181.353       62.60260 1119.473       88.13570 1244.364       88.93664 95.68793 3.807083 100.9298 3.642161 -5.241837      5.268702 
1 1 1 21  1  18 o 93.10014 2.802994 1066.070       63.09389 1022.354       89.25010 1109.743       89.20641 91.15989 4.046715 95.04039 3.879587 -3.880501      5.605988 
1 1 1 21  1  19 o 30.23730 5.949487 124.1699       49.18057 57.50310       70.01402 189.1050       69.09866 23.17459 8.895679 37.30001 7.902688 -14.12543      11.89897 
1 1 1 21  1  20 o 22.45610 6.449506 41.14376       56.10107 87.45403       83.77279 3.486649       75.54187 25.76068 9.768065 19.15152 8.424334 6.609158       12.89901 
1 1 1 21  3  0  o 150.6910 3.071585 2802.311       106.8859 2946.681       134.5758 2555.622       175.9150 156.0595 3.564302 145.3225 5.003428 10.73698       6.143170 
1 1 1 21  3  1  o 172.9217 3.104277 3686.304       114.2832 3765.050       133.8201 3474.123       219.6644 176.4088 3.135442 169.4346 5.358651 6.974274       6.208554 
1 1 1 21  3  2  o 401.6012 5.998847 19100.01       489.4599 18751.92       554.8476 20321.24       1039.270 393.6323 5.826136 409.5701 10.48813 -15.93774      11.99769 
1 1 1 21  3  3  o 262.8054 4.140301 8404.128       229.2963 8451.618       265.9322 8266.508       452.7015 264.2910 4.158975 261.3199 7.160398 2.971100       8.280602 
1 1 1 21  3  4  o 190.2441 3.320708 4227.007       128.0984 4106.680       144.7530 4661.511       275.0689 184.2358 3.247515 196.2524 5.793276 -12.01663      6.641416 
1 1 1 21  3  5  o 344.7968 5.192146 14395.41       375.0237 14395.15       433.0232 14396.19       750.1353 344.8766 5.189734 344.7169 8.994452 0.1596680      10.38429 
1 1 1 21  3  6  f 173.5889 3.839872 3646.652       161.2653 3646.652       161.2653 0.000000       0.000000 173.5889 3.839872 ?        ?        ?              ?        
1 1 1 21  3  7  o 443.5967 6.610227 23202.20       589.5281 22675.52       664.8398 25139.80       1275.199 432.5911 6.352389 454.6023 11.59429 -22.01117      13.22045 
1 1 1 21  3  8  o 204.5945 3.486855 5047.075       148.5236 5024.856       170.7928 5116.002       300.8172 203.7435 3.464842 205.4455 6.052067 -1.701996      6.973711 
1 1 1 21  3  9  o 279.5467 4.379042 9494.071       256.5940 9510.743       296.5294 9444.379       511.9459 280.2158 4.373940 278.8776 7.587666 1.338226       8.758083 
1 1 1 21  3  10 o 325.8549 4.975822 12928.81       340.4040 12963.71       393.8266 12825.70       676.8947 327.0432 4.977344 324.6665 8.617499 2.376648       9.951645 
1 1 1 21  3  11 o 299.0206 4.643434 10887.22       291.3450 10915.64       336.9690 10803.09       579.8455 300.0929 4.641217 297.9484 8.043942 2.144562       9.286867 
1 1 1 21  3  12 o 112.7946 2.987854 1642.766       69.41103 1749.062       80.96484 1348.007       134.8259 120.1924 2.784307 105.3969 5.287411 14.79552       5.975708 
1 1 1 21  3  13 o 149.9623 3.130550 2775.745       96.46882 2819.179       110.8424 2640.095       195.8840 152.5496 3.003259 147.3751 5.493797 5.174500       6.261100 
1 1 1 21  3  14 o 103.1734 3.067328 1286.612       62.20911 1281.753       69.87838 1305.176       136.5805 102.8395 2.808539 103.5074 5.454000 -0.6678696     6.134657 
1 1 1 21  3  15 o 187.9445 3.452773 4370.295       135.9332 4431.417       157.6031 4192.743       268.6154 190.9765 3.411008 184.9125 6.004297 6.063950       6.905546 
1 1 1 21  3  16 o 28.89464 5.642602 116.0170       37.96470 130.2291       41.92326 51.24331       89.50049 32.55450 5.322820 25.23478 9.951052 7.319717       11.28520 
1 1 1 21  3  17 o 28.44819 5.751636 105.4183       41.70668 116.7536       59.41516 94.40756       58.55848 29.82089 8.048326 27.07549 8.218863 2.745394       11.50327 
1 1 1 21  3  18 o 41.12608 5.007305 222.7724       47.19369 299.5768       67.53637 149.4784       65.97492 48.91480 5.706832 33.33735 8.229487 15.57745       10.01461 
1 1 1 21  3  19 o 51.16903 4.387168 336.3610       54.04742 304.5891       77.19459 366.9118       75.69662 48.62302 6.562096 53.71503 5.824765 -5.092003      8.774337 
1 1 1 21  3  20 o 34.10855 6.713463 175.6491       57.31939 171.6765       85.87596 178.8408       76.97607 33.48374 9.905805 34.73336 9.064071 -1.249622      13.42693 
1 1 1 21  5  0  o 954.9794 14.55393 108830.3       3082.036 105805.2       3660.845 116192.7       5711.216 933.6246 16.20715 976.3342 24.17841 -42.70959      29.10786 
1 1 1 21  5  1  o 570.4858 7.120346 39403.53       982.3961 38789.84       1367.064 40058.87       1412.696 565.9009 9.984952 575.0706 10.15372 -9.169678      14.24069 
1 1 1 21  5  2  o 321.1022 4.236316 12443.76       328.4440 11956.44       447.5946 13012.30       483.4553 314.3126 5.886006 327.8918 6.094295 -13.57919      8.472632 
1 1 1 21  5  3  o 206.7995 4.292519 5174.777       214.7652 5174.777       214.7652 0.000000       0.000000 206.7995 4.292519 ?        ?        ?              ?        
1 1 1 21  5  4  o 360.7574 5.716404 15885.08       475.5515 16180.82       592.1780 15348.01       798.0325 365.5882 6.695111 355.9267 9.267395 9.661469       11.43281 
1 1 1 21  5  5  o 92.72585 2.866039 1035.966       59.74231 1028.349       72.06363 1052.707       106.8322 92.18956 3.230963 93.26212 4.734722 -1.072563      5.732078 
1 1 1 21  5  6  o 553.8643 8.076750 36868.49       921.0742 36503.97       1052.511 38060.68       1903.421 548.7308 7.928025 558.9977 14.07416 -10.26697      16.15350 
1 1 1 21  5  7  f 190.4181 3.352673 4315.499       130.7323 4251.157       148.8166 4533.016       273.6240 187.4156 3.282036 193.4207 5.847214 -6.005127      6.705347 
1 1 1 21  5  8  o 136.4039 2.888872 2266.400       81.31519 2278.846       93.34834 2227.246       165.5722 137.2206 2.811804 135.5872 5.047384 1.633331       5.777744 
1 1 1 21  5  9  o 264.2557 4.215828 8439.760       231.4579 8412.145       265.9912 8525.878       469.7268 263.5399 4.171753 264.9715 7.327298 -1.431580      8.431656 
1 1 1 21  5  10 o 119.5512 2.811266 1691.593       68.41654 1659.121       77.60496 1804.878       144.9512 117.0759 2.739804 122.0264 4.909821 -4.950493      5.622532 
1 1 1 21  5  11 o 175.0025 3.251674 3632.396       116.1012 3565.871       131.8533 3861.987       244.9478 171.6066 3.175811 178.3984 5.675189 -6.791794      6.503348 
1 1 1 21  5  12 o 254.8822 4.136886 7885.013       219.2969 7878.598       252.3219 7904.819       443.3737 254.9429 4.090815 254.8215 7.191699 0.1213379      8.273771 
1 1 1 21  5  13 o 173.3112 3.323858 3627.379       117.6765 3609.483       134.1568 3687.091       245.0548 172.5749 3.213162 174.0476 5.819597 -1.472672      6.647715 
1 1 1 21  5  14 o 117.6625 3.139307 1717.100       73.03967 1742.787       82.62144 1625.223       156.2567 119.8986 2.848238 115.4263 5.595404 4.472328       6.278615 
1 1 1 21  5  15 f 23.59336 6.248016 42.97673       36.92105 35.48249       40.08878 84.85426       94.76535 18.71058 6.820593 28.47614 10.47045 -9.765568      12.49603 
1 1 1 21  5  16 o 75.33475 3.678923 700.6646       51.09509 702.3501       56.38233 692.9209       120.8506 75.98291 3.067078 74.68659 6.688119 1.296318       7.357847 
1 1 1 21  5  17 o 45.33167 5.893708 260.2967       47.10489 256.8680       51.50982 277.8108       116.4168 45.67361 4.661464 44.98972 10.82654 0.6838989      11.78742 
1 1 1 21  5  18 o 76.58913 4.073818 727.5401       58.25389 722.2769       64.43290 751.1005       136.3247 76.73968 3.470447 76.43858 7.371565 0.3010941      8.147636 
1 1 1 21  5  19 o 53.76212 4.028794 368.6068       52.29071 358.0314       75.70716 378.2545       72.31020 52.91979 5.913118 54.60446 5.473550 -1.684666      8.057588 
1 1 1 21  5  20 o 44.55419 7.268397 271.0646       78.34828 0.000000       0.000000 271.0646       78.34828 ?        ?        44.55419 7.268397 ?              ?        
1 1 1 21  7  0  o 479.2685 6.052050 27767.84       700.8251 26957.41       961.7740 28685.31       1023.319 471.8328 8.425246 486.7042 8.690480 -14.87134      12.10410 
1 1 1 21  7  1  o 315.1357 5.937037 12019.63       452.6574 0.000000       0.000000 12019.63       452.6574 ?        ?        315.1357 5.937037 ?              ?        
1 1 1 21  7  2  o 859.0981 13.21781 86726.11       2468.833 83076.87       2883.802 96740.04       4777.120 827.3637 14.40677 890.8326 22.16500 -63.46893      26.43562 
1 1 1 21  7  3  o 192.9637 2.924934 4497.360       136.3941 4338.691       187.4757 4675.783       198.8031 189.3552 4.092280 196.5722 4.180216 -7.217041      5.849869 
1 1 1 21  7  4  o 561.9309 7.035922 38280.37       956.4611 37944.27       1341.769 38627.57       1363.780 559.4283 9.913589 564.4335 9.986869 -5.005127      14.07184 
1 1 1 21  7  6  o 455.0551 5.781054 25124.15       636.4434 25242.20       904.3630 25008.32       895.8315 456.1107 8.195400 453.9995 8.155840 2.111298       11.56211 
1 1 1 21  7  7  o 347.9395 5.590201 14659.73       441.7296 14591.44       538.1854 14800.71       773.2681 346.9081 6.412321 348.9710 9.158795 -2.062988      11.18040 
1 1 1 21  7  8  o 60.84037 3.382810 459.6517       39.39804 467.0599       44.07850 430.2201       87.85675 62.11902 2.932918 59.56171 6.096852 2.557308       6.765620 
1 1 1 21  7  9  o 124.2475 2.956057 1958.921       75.91206 2050.347       88.20602 1697.799       149.0681 130.1502 2.801245 118.3447 5.206353 11.80545       5.912114 
1 1 1 21  7  10 o 195.7668 3.470919 4606.790       139.9262 4571.729       159.9690 4721.000       288.7159 194.3033 3.402934 197.2303 6.050549 -2.927017      6.941837 
1 1 1 21  7  11 o 141.8274 3.131599 2410.292       89.25938 2388.311       100.9575 2488.995       191.0339 140.4447 2.971193 143.2101 5.513589 -2.765488      6.263198 
1 1 1 21  7  12 o 61.67308 4.121310 460.9808       45.14898 460.3341       49.27298 464.3665       112.7357 61.63984 3.304038 61.70633 7.551432 -0.6649017E-01 8.242620 
1 1 1 21  7  13 o 44.86024 4.941666 228.3542       39.08583 217.9887       42.54262 284.4735       98.98882 42.37352 4.149803 47.34696 8.969915 -4.973446      9.883331 
1 1 1 21  7  14 f 72.98138 3.808345 613.8950       48.56033 598.5217       52.51529 704.5806       127.5478 70.23241 3.090622 75.73034 6.961467 -5.497925      7.616690 
1 1 1 21  7  15 o 28.58420 6.458473 90.24677       37.73066 87.94901       40.25995 106.8293       108.1550 26.19319 6.406132 30.97521 11.21646 -4.782026      12.91695 
1 1 1 21  7  16 o 66.52103 4.044679 559.5134       48.71394 566.3265       53.65414 527.5432       116.2256 68.18178 3.252614 64.86027 7.406632 3.321510       8.089357 
1 1 1 21  7  17 o 39.87568 6.344525 218.2288       45.47305 222.7260       49.25434 192.2665       118.3426 42.46197 4.794486 37.28939 11.74840 5.172581       12.68905 
1 1 1 21  7  18 o 22.05550 6.384074 39.01595       44.88474 43.19790       49.31382 18.82213       108.3648 20.17252 7.527251 23.93849 10.31339 -3.765968      12.76815 
1 1 1 21  7  19 o 28.86801 5.363795 135.9667       53.65102 204.3519       58.91198 -196.4307      129.8828 39.76504 6.123501 17.97097 8.808174 21.79407       10.72759 
1 1 1 21  7  20 o 24.50059 7.699502 44.73173       91.86399 75.26472       114.3233 -10.91017      154.3302 25.31592 10.74117 23.68526 11.03434 1.630661       15.39900 
1 1 1 21  9  0  o 410.0693 5.269226 20313.96       521.8547 21135.36       765.8668 19602.06       712.9945 417.7825 7.577059 402.3561 7.324420 15.42639       10.53845 
1 1 1 21  9  1  o 75.91740 2.646829 695.4374       48.53326 643.3777       66.82487 753.5515       70.60371 72.91875 3.787884 78.91605 3.697940 -5.997307      5.293659 
1 1 1 21  9  2  o 178.2251 2.849495 3833.722       122.6746 3669.344       167.8204 4022.347       179.7716 174.1340 3.983445 182.3163 4.075617 -8.182327      5.698990 
1 1 1 21  9  3  o 164.7629 2.741532 3284.899       109.2686 3263.094       153.0622 3307.560       156.0390 164.2058 3.852806 165.3200 3.901266 -1.114182      5.483065 
1 1 1 21  9  4  o 138.1270 3.667279 2309.109       122.5533 0.000000       0.000000 2309.109       122.5533 ?        ?        138.1270 3.667279 ?              ?        
1 1 1 21  9  5  o 283.8825 3.854436 9750.199       264.5047 9483.246       365.0223 10045.35       383.8173 279.8003 5.392237 287.9648 5.509129 -8.164459      7.708872 
1 1 1 21  9  6  o 78.91919 2.472092 752.8774       47.16149 712.7603       65.42635 796.2681       68.04346 76.73343 3.524242 81.10494 3.467662 -4.371513      4.944185 
1 1 1 21  9  7  o 88.74960 2.470755 953.1417       53.01747 942.1020       73.49210 965.1217       76.55788 88.21502 3.443466 89.28419 3.544158 -1.069168      4.941509 
1 1 1 21  9  8  o 283.5426 4.748164 9715.138       304.6840 9636.236       369.6923 9882.213       537.9656 281.9247 5.420072 285.1605 7.797632 -3.235809      9.496328 
1 1 1 21  9  9  o 244.6837 3.449670 7255.692       204.1797 7177.155       285.6276 7337.763       291.9848 243.3327 4.851738 246.0347 4.905254 -2.702042      6.899340 
1 1 1 21  9  10 o 155.6282 3.235943 2964.436       102.9146 2989.633       117.7319 2882.808       211.9035 157.1320 3.096901 154.1244 5.682826 3.007568       6.471886 
1 1 1 21  9  11 o 208.4026 3.673788 5355.662       160.0949 5441.789       185.4873 5104.105       317.0038 211.9222 3.617724 204.8830 6.395229 7.039139       7.347577 
1 1 1 21  9  12 o 114.2266 3.268572 1582.201       70.96741 1580.755       78.88531 1588.340       162.5240 114.2278 2.854447 114.2254 5.881018 0.2426147E-02  6.537143 
1 1 1 21  9  13 o 106.9453 3.403034 1445.202       68.95194 1479.883       77.08430 1306.365       154.2317 110.4853 2.883761 103.4052 6.164941 7.080055       6.806069 
1 1 1 21  9  14 o 37.26447 5.942425 208.7439       42.22126 227.8787       46.20628 111.9453       103.9258 43.23294 4.417575 31.29600 11.03335 11.93694       11.88485 
1 1 1 21  9  15 f 128.2200 3.390315 1981.808       82.41190 1961.809       91.37486 2069.007       190.8018 127.0271 2.973228 129.4129 6.094003 -2.385803      6.780631 
1 1 1 21  9  16 o 59.24339 5.318275 484.9425       49.43299 500.6309       53.61908 396.0738       127.6155 64.03642 3.460907 54.45036 10.05775 9.586067       10.63655 
1 1 1 21  9  17 o 22.31199 6.384155 41.28901       43.05136 45.52742       46.80170 17.97740       109.7607 20.32458 7.375557 24.29939 10.42262 -3.974808      12.76831 
1 1 1 21  9  18 o 47.97325 6.051383 288.1918       52.13943 275.2445       57.13665 352.6472       127.4836 46.83540 5.042411 49.11110 11.00232 -2.275703      12.10277 
1 1 1 21  9  19 o 25.49028 7.161932 75.27187       52.60651 76.59278       56.57236 66.82927       143.0231 23.81506 8.155237 27.16550 11.77562 -3.350437      14.32386 
1 1 1 21  9  20 o 33.46742 8.808695 223.6442       94.29470 220.5830       117.6252 229.1493       157.7393 34.13575 11.75611 32.79910 13.12121 1.336643       17.61739 
1 1 1 21  11 0  o 167.6287 2.799631 3400.715       113.5406 3401.945       160.4695 3399.483       160.6719 167.6591 3.956062 167.5983 3.962487 0.6080627E-01  5.599262 
1 1 1 21  11 1  o 250.9764 3.542831 7622.825       215.0668 7763.014       308.4726 7490.227       300.0050 253.2198 5.035199 248.7330 4.985316 4.486725       7.085661 
1 1 1 21  11 2  o 494.7393 6.260924 29698.04       749.3996 29752.11       1062.392 29644.49       1057.249 495.1853 8.867776 494.2934 8.840772 0.8919067      12.52185 
1 1 1 21  11 3  o 61.65840 4.141270 460.2498       61.77718 0.000000       0.000000 460.2498       61.77718 ?        ?        61.65840 4.141270 ?              ?        
1 1 1 21  11 4  o 319.0802 4.253306 12335.48       328.2698 12510.40       470.3400 12169.34       458.3783 321.2815 6.050955 316.8790 5.978997 4.402527       8.506613 
1 1 1 21  11 5  o 96.42863 2.600062 1121.908       60.49769 1013.404       83.14848 1243.961       88.18697 91.48963 3.756472 101.3676 3.595860 -9.878014      5.200124 
1 1 1 21  11 6  o 150.8997 2.678633 2756.417       97.76851 2721.161       136.4696 2793.591       140.1343 149.9098 3.762737 151.8898 3.813411 -1.979996      5.357265 
1 1 1 21  11 7  o 263.5837 3.657991 8421.410       233.2660 8475.576       331.4043 8368.223       328.3922 264.4229 5.180321 262.7445 5.166029 1.678467       7.315982 
1 1 1 21  11 8  o 180.0863 3.494562 3952.343       145.2460 3860.797       243.9762 4002.601       180.7706 178.4041 5.652495 181.7686 4.110614 -3.364471      6.989124 
1 1 1 21  11 9  o 173.5610 2.840021 3650.197       119.2391 3681.174       167.7274 3618.544       169.5463 174.3082 3.977259 172.8138 4.055157 1.494492       5.680043 
1 1 1 21  11 10 o 160.9923 2.788798 3139.553       108.5794 3085.527       150.9722 3197.439       156.2740 159.5609 3.910824 162.4237 3.976811 -2.862747      5.577595 
1 1 1 21  11 11 o 212.7952 3.182310 5488.721       163.6843 5326.783       225.6544 5668.548       237.7913 209.4950 4.452130 216.0955 4.548287 -6.600433      6.364619 
1 1 1 21  11 12 o 99.48824 3.478819 1215.999       63.50220 1222.478       69.99253 1185.842       150.9993 100.4296 2.880630 98.54684 6.333300 1.882813       6.957637 
1 1 1 21  11 13 o 82.27934 3.765550 819.8056       55.97697 816.1086       61.31406 838.3105       137.1781 81.99832 3.090671 82.56035 6.867694 -0.5620270     7.531100 
1 1 1 21  11 14 o 69.45184 4.363204 621.8093       52.36329 634.4866       57.16671 555.7407       130.5053 72.22617 3.271496 66.67751 8.089964 5.548660       8.726408 
1 1 1 21  11 15 o 111.1902 3.540691 1513.276       73.60136 1508.721       81.42883 1533.611       172.0463 111.3308 3.023155 111.0495 6.403632 0.2813416      7.081382 
1 1 1 21  11 16 o 23.34705 5.641190 67.16883       45.01315 107.1077       48.49101 -181.6776      121.0401 28.56052 7.058280 18.13357 8.801862 10.42695       11.28238 
1 1 1 21  11 17 o 58.99974 6.132268 510.1117       56.62992 530.5311       61.62133 399.1672       143.6358 65.60256 3.882468 52.39691 11.63380 13.20565       12.26454 
1 1 1 21  11 18 o 26.29330 6.253179 100.9418       53.03794 138.2324       58.08757 -85.99643      130.0568 31.63196 7.669582 20.95465 9.878589 10.67731       12.50636 
1 1 1 21  11 19 o 29.39626 7.708087 70.78142       57.44590 30.62414       62.42527 292.8019       146.7827 19.41218 8.065910 39.38034 13.13771 -19.96815      15.41617 
1 1 1 21  13 0  o 123.7229 2.597122 1852.927       77.73954 1862.175       110.0681 1843.722       109.8130 124.0310 3.667996 123.4148 3.677768 0.6162567      5.194244 
1 1 1 21  13 1  o 99.10484 2.610375 1189.103       62.56797 1150.120       88.27532 1228.458       88.69513 97.47141 3.743345 100.7383 3.639175 -3.266861      5.220749 
1 1 1 21  13 2  f 188.8367 2.970483 4313.577       135.6383 4182.772       188.1163 4455.220       195.7548 185.8587 4.183513 191.8147 4.218210 -5.955978      5.940966 
1 1 1 21  13 3  o 386.3706 5.020981 18096.82       469.0106 17681.15       648.5665 18552.46       679.0450 381.7374 7.022430 391.0038 7.178195 -9.266388      10.04196 
1 1 1 21  13 4  o 347.5445 4.576179 14630.24       384.3477 14204.33       528.5320 15108.25       559.9248 342.1978 6.383985 352.8912 6.558229 -10.69342      9.152357 
1 1 1 21  13 5  o 285.1179 3.903320 9855.455       269.2414 9800.078       378.6321 9912.097       382.9341 284.3095 5.504573 285.9261 5.535640 -1.616608      7.806641 
1 1 1 21  13 6  o 259.5565 3.632503 8151.900       227.8161 7881.802       312.6957 8457.450       332.5844 254.9902 5.068694 264.1228 5.204675 -9.132599      7.265006 
1 1 1 21  13 7  o 342.1564 4.519626 14213.75       374.1321 14184.53       527.6976 14243.28       530.5192 341.8049 6.381232 342.5079 6.402184 -0.7030640     9.039252 
1 1 1 21  13 8  f 102.6383 2.670782 1268.450       66.08015 1132.800       89.86304 1428.159       97.50719 96.69720 3.841182 108.5793 3.711822 -11.88213      5.341564 
1 1 1 21  13 9  o 250.7316 3.562994 7627.581       216.1167 7725.921       308.1176 7532.347       303.2119 252.3208 5.047324 249.1424 5.030329 3.178375       7.125987 
1 1 1 21  13 10 o 61.83144 3.167273 464.6797       47.31202 480.7686       65.94952 447.6189       67.91222 62.94251 4.330772 60.72038 4.622865 2.222126       6.334545 
1 1 1 21  13 11 o 104.9685 2.699616 1336.602       68.51353 1317.647       94.91241 1357.225       99.00251 104.1967 3.765015 105.7403 3.869933 -1.543564      5.399233 
1 1 1 21  13 12 f 59.30354 3.261088 428.5202       46.78382 424.8711       66.48145 432.1002       65.84775 59.04958 4.653517 59.55749 4.569853 -0.5079117     6.522176 
1 1 1 21  13 13 o 58.60482 3.316081 419.9695       46.98831 438.1962       66.60521 401.9102       66.29887 59.88299 4.597296 57.32665 4.780212 2.556339       6.632161 
1 1 1 21  13 14 o 97.32866 4.003220 1261.697       68.87105 1311.364       75.99522 1033.432       162.9191 103.8139 3.025717 90.84337 7.412700 12.97058       8.006440 
1 1 1 21  13 15 o 121.5944 3.592983 1855.535       83.24429 1873.932       92.96198 1781.083       187.0112 123.9582 3.099757 119.2305 6.483026 4.727707       7.185967 
1 1 1 21  13 16 f 50.13048 6.373051 374.1053       52.99289 392.0988       57.91280 281.4991       131.3822 56.35207 4.247784 43.90888 12.01746 12.44320       12.74610 
1 1 1 21  13 17 o 24.62172 7.055371 60.86326       50.24712 67.27024       53.33346 10.26294       149.8821 23.03001 7.917012 26.21342 11.68050 -3.183418      14.11074 
1 1 1 21  13 18 o 22.83472 6.840957 48.70556       54.37832 61.18973       58.25671 -35.80012      151.5686 22.13341 8.196639 23.53603 10.95490 -1.402617      13.68191 
1 1 1 21  15 0  o 244.4435 3.493849 7235.220       206.5415 7075.297       287.1112 7406.748       297.3450 241.6482 4.910935 247.2387 4.970980 -5.590424      6.987698 
1 1 1 21  15 1  o 48.37733 3.908416 284.3415       45.62025 273.3011       66.20947 294.3210       62.94761 47.47678 5.764167 49.27789 5.279890 -1.801113      7.816832 
1 1 1 21  15 2  o 168.1094 2.844575 3417.956       115.6051 3545.683       167.5517 3301.905       159.7107 171.1015 4.047554 165.1173 3.997966 5.984253       5.689150 
1 1 1 21  15 3  o 85.37677 2.877581 883.9357       59.32027 818.2139       83.77498 950.0245       84.00856 82.18628 4.213206 88.56727 3.920559 -6.380989      5.755162 
1 1 1 21  15 4  o 341.4138 4.520734 14146.34       373.3802 14032.09       523.7175 14264.43       532.4698 340.0169 6.366404 342.8107 6.420049 -2.793732      9.041468 
1 1 1 21  15 5  o 327.4865 4.373258 12998.43       346.1438 13423.31       503.5659 12617.85       476.5897 332.5389 6.259094 322.4340 6.109441 10.10489       8.746515 
1 1 1 21  15 6  o 155.0957 2.805352 2909.146       105.1646 3084.418       152.2180 2749.087       145.4624 159.5586 3.943154 150.6328 3.991433 8.925751       5.610704 
1 1 1 21  15 7  o 202.1105 3.132764 4948.580       153.1288 5113.112       220.0127 4793.995       213.2588 205.3667 4.428081 198.8543 4.432713 6.512329       6.265528 
1 1 1 21  15 8  o 159.5945 2.846806 3088.385       109.9051 3118.126       154.6384 3058.026       156.2324 160.3745 3.985471 158.8144 4.066109 1.560181       5.693612 
1 1 1 21  15 9  o 30.10027 5.787820 114.2852       43.24551 107.3133       59.70681 121.9789       62.72127 29.18692 8.145473 31.01361 8.224763 -1.826685      11.57564 
1 1 1 21  15 10 o 151.0240 2.819752 2767.321       102.9594 2914.358       147.8379 2628.838       143.4733 154.9224 3.944294 147.1256 4.030699 7.796753       5.639503 
1 1 1 21  15 11 o 73.30692 3.059232 655.0313       54.11038 715.1363       76.92533 596.1656       76.12816 76.65844 4.147697 69.95541 4.498024 6.703033       6.118464 
1 1 1 21  15 12 o 64.22279 3.478422 508.4272       53.46680 591.6022       75.48515 424.6842       75.74246 69.59537 4.483105 58.85021 5.319724 10.74516       6.956845 
1 1 1 21  15 13 o 141.3223 2.816995 2433.812       96.17868 2613.758       139.9227 2272.642       132.4214 146.2717 3.953900 136.3730 4.013540 9.898682       5.633989 
1 1 1 21  15 14 o 68.66370 3.430532 580.9686       56.90236 626.1625       81.61487 538.2203       79.37599 71.29214 4.731788 66.03525 4.968337 5.256897       6.861063 
1 1 1 21  15 15 o 45.12814 7.174398 304.3029       51.62253 312.7881       54.62064 233.3135       157.9872 50.29775 4.488549 39.95853 13.62868 10.33922       14.34880 
1 1 1 21  15 16 o 71.66554 4.916970 587.7307       62.30326 554.0831       67.29160 789.7680       164.8920 66.83949 4.161265 76.49158 8.910120 -9.652092      9.833940 
1 1 1 21  15 17 o 21.84194 6.670835 33.84148       55.61767 55.21830       59.40208 -118.0726      158.3540 21.74369 8.230101 21.94019 10.50074 -0.1964951     13.34167 
1 1 1 21  15 18 o 19.51277 6.604664 -23.24998      64.95432 -0.4274972     68.34320 -236.4069      208.8640 17.64606 7.873370 21.37948 10.60643 -3.733427      13.20933 
1 1 1 21  17 0  o 109.5955 2.750797 1453.796       72.91154 1406.682       101.6197 1503.785       104.6731 107.7665 3.897552 111.4245 3.882863 -3.658005      5.501594 
1 1 1 21  17 1  o 219.9748 3.296874 5860.298       175.3782 5731.088       243.5266 5999.511       252.7765 217.4606 4.628747 222.4889 4.695977 -5.028244      6.593748 
1 1 1 21  17 2  o 300.8171 4.094145 10956.21       297.5109 11387.64       435.6261 10579.08       407.2897 306.3415 5.877678 295.2927 5.700965 11.04874       8.188291 
1 1 1 21  17 3  o 211.2690 3.232178 5407.104       165.1384 5309.548       229.5165 5511.815       237.7849 209.2979 4.532593 213.2401 4.609067 -3.942169      6.464356 
1 1 1 21  17 4  o 411.6086 5.334382 20537.39       529.7272 21604.91       785.5222 19647.00       717.3989 421.3302 7.706080 401.8869 7.378269 19.44330       10.66876 
1 1 1 21  17 5  o 116.3416 2.783562 1640.371       78.34427 1620.260       110.9129 1660.396       110.6785 115.6284 3.964744 117.0548 3.908155 -1.426361      5.567124 
1 1 1 21  17 6  o 131.1882 2.830275 2085.919       89.81921 2131.276       128.0714 2042.017       126.0010 132.5920 3.992385 129.7844 4.012816 2.807632       5.660551 
1 1 1 21  17 7  o 117.4727 2.781893 1674.567       79.02193 1729.614       111.4111 1618.837       112.0999 119.4225 3.856025 115.5229 4.010835 3.899628       5.563787 
1 1 1 21  17 8  o 139.9890 3.895629 2378.365       131.9392 2378.365       131.9392 0.000000       0.000000 139.9890 3.895629 ?        ?        ?              ?        
1 1 1 21  17 9  o 203.2021 3.176263 5023.799       156.1403 5029.005       219.5515 5018.472       222.1021 203.3161 4.463365 203.0883 4.520282 0.2277985      6.352525 
1 1 1 21  17 10 o 83.17583 3.049995 842.1901       61.30192 827.8123       84.34981 858.2853       89.24518 82.43575 4.229278 83.91592 4.395802 -1.480171      6.099989 
1 1 1 21  17 11 o 139.9897 2.854320 2382.411       96.48994 2587.691       140.9398 2201.317       132.3771 145.6567 3.999455 134.3226 4.073442 11.33414       5.708640 
1 1 1 21  17 12 o 122.1871 2.784307 1820.807       82.20716 1950.345       119.0353 1702.689       113.6673 126.3473 3.894105 118.0270 3.980630 8.320244       5.568614 
1 1 1 21  17 13 o 122.9608 2.837167 1849.073       84.24011 2017.703       122.2759 1696.729       116.2216 128.3133 3.938828 117.6083 4.084570 10.70493       5.674335 
1 1 1 21  17 14 o 107.7369 2.939061 1425.538       76.44186 1560.649       111.7146 1306.579       104.8243 112.5454 4.102794 102.9284 4.209443 9.617043       5.878123 
1 1 1 21  17 15 o 75.25632 3.477898 714.7192       62.75805 634.5089       91.10187 787.1603       86.57745 70.99849 5.303663 79.51414 4.500472 -8.515656      6.955795 
1 1 1 21  17 16 o 79.00238 3.478439 794.0704       66.19276 844.0495       91.63153 739.5274       95.72394 81.81844 4.629045 76.18631 5.193275 5.632133       6.956879 
1 1 1 21  17 17 o 24.90767 7.875632 49.10785       64.71532 41.43653       68.23930 117.6800       204.0202 20.58273 8.482113 29.23261 13.27238 -8.649881      15.75126 
1 1 1 21  19 0  o 179.0152 3.026689 3882.376       131.0528 3989.046       187.8152 3781.157       182.9537 181.4104 4.279234 176.6199 4.281533 4.790558       6.053377 
1 1 1 21  19 1  o 171.2903 2.979386 3554.621       123.4364 3640.945       177.0764 3473.025       172.1584 173.3114 4.223098 169.2693 4.203857 4.042160       5.958773 
1 1 1 21  19 2  f 193.4200 3.124042 4522.421       145.9488 4789.058       214.0173 4290.622       199.5471 198.7295 4.451272 188.1105 4.384601 10.61899       6.248084 
1 1 1 21  19 3  o 232.1694 3.442970 6538.400       193.3262 6432.463       269.1593 6651.294       277.8573 230.2333 4.832133 234.1055 4.905779 -3.872192      6.885941 
1 1 1 21  19 4  o 234.8467 3.458032 6687.455       196.3329 6945.889       284.3917 6452.130       271.3786 239.1712 4.914798 230.5222 4.865871 8.649017       6.916064 
1 1 1 21  19 5  o 141.2906 2.817642 2421.493       96.29900 2487.578       137.2571 2357.428       135.1422 143.1910 3.962022 139.3901 4.007345 3.800873       5.635284 
1 1 1 21  19 6  o 181.4074 3.023148 3997.230       132.6678 4078.587       188.0634 3916.635       187.1809 183.2507 4.241860 179.5641 4.308633 3.686539       6.046296 
1 1 1 21  19 7  o 57.65040 3.976000 405.4087       54.94259 482.3324       79.60381 335.4259       75.92760 62.90488 5.230548 52.39592 5.989629 10.50896       7.951999 
1 1 1 21  19 8  o 134.5478 3.977129 2202.486       129.4639 2202.486       129.4639 0.000000       0.000000 134.5478 3.977129 ?        ?        ?              ?        
1 1 1 21  19 9  o 107.5137 2.953472 1409.930       76.79482 1458.171       108.8101 1362.053       108.3996 109.3596 4.112536 105.6677 4.240168 3.691895       5.906943 
1 1 1 21  19 10 o 108.0193 2.887796 1425.794       75.32005 1542.560       107.3378 1312.526       105.7180 112.4124 3.946717 103.6262 4.216740 8.786179       5.775592 
1 1 1 21  19 11 o 83.19487 3.211840 853.3683       64.32624 936.2499       90.11648 767.2667       91.85040 87.40429 4.261566 78.98545 4.806530 8.418839       6.423680 
1 1 1 21  19 12 o 18.97818 5.782244 -8.262490      49.86198 -46.83949      70.35509 30.66833       70.67700 16.50408 7.605405 21.45228 8.711783 -4.948200      11.56449 
1 1 1 21  19 13 o 30.19599 6.505628 123.2364       51.95192 134.4823       73.80653 112.1927       73.14023 31.39785 9.153575 28.99412 9.246883 2.403732       13.01126 
1 1 1 21  19 14 o 64.24001 4.065938 525.1882       62.23584 416.9563       86.36411 642.1091       89.76385 57.05645 6.256424 71.42357 5.194665 -14.36712      8.131875 
1 1 1 21  19 15 o 48.00502 5.431006 325.7213       58.71842 404.2432       80.02654 234.1461       86.42259 55.85670 5.921836 40.15333 9.105777 15.70337       10.86201 
1 1 1 21  19 16 o 21.39187 6.017507 1.769320       59.88348 127.0043       80.32250 -154.9465      89.85265 28.40770 9.717517 14.37603 7.100099 14.03167       12.03501 
1 1 1 21  21 0  o 378.5381 4.988708 17459.84       456.2031 18111.35       667.4941 16888.75       624.9431 385.0972 7.164317 371.9789 6.944162 13.11826       9.977415 
1 1 1 21  21 1  o 86.20694 4.486720 902.5431       93.57793 0.000000       0.000000 902.5431       93.57793 ?        ?        86.20694 4.486720 ?              ?        
1 1 1 21  21 2  o 240.3838 3.526099 7022.709       205.0004 7184.830       294.6443 6870.597       285.4052 243.0652 5.010408 237.7023 4.962793 5.362839       7.052198 
1 1 1 21  21 3  o 150.0050 2.866928 2728.633       103.9726 2856.490       150.2621 2611.186       144.0156 153.3723 4.049488 146.6376 4.059402 6.734680       5.733855 
1 1 1 21  21 4  f 53.99381 3.899317 355.8411       50.85359 350.6329       73.75217 360.5615       70.21390 53.60282 5.687021 54.38480 5.336337 -0.7819748     7.798635 
1 1 1 21  21 5  o 27.34115 6.301023 89.98523       47.65522 86.93712       72.26170 92.33120       63.39480 27.28506 9.217589 27.39725 8.593464 -0.1121979     12.60205 
1 1 1 21  21 6  o 53.83327 4.060483 357.1590       52.36076 339.0022       78.61340 371.6364       70.19775 52.54107 6.184369 55.12546 5.263427 -2.584389      8.120966 
1 1 1 21  21 7  o 72.94229 4.181435 613.8613       69.63378 779.1791       125.8874 540.9802       83.58533 79.44158 6.549861 66.44299 5.199704 12.99859       8.362870 
1 1 1 21  21 8  o 129.0697 2.910949 2032.621       90.84763 2116.619       131.0284 1954.859       126.0708 131.6354 4.114249 126.5039 4.119157 5.131462       5.821898 
1 1 1 21  21 9  o 76.54203 3.396139 719.8321       62.88255 712.2842       88.06331 727.6844       89.82145 76.13822 4.780683 76.94584 4.824948 -0.8076172     6.792279 
1 1 1 21  21 10 o 127.5237 4.085310 1994.707       126.0429 1994.707       126.0429 0.000000       0.000000 127.5237 4.085310 ?        ?        ?              ?        
1 1 1 21  21 11 o 20.33667 5.825058 -19.14130      53.95584 -132.2395      77.94023 84.93987       74.76871 14.23568 6.944095 26.43766 9.354397 -12.20198      11.65012 
1 1 1 21  21 12 o 67.11685 4.086785 564.8381       65.48075 449.9596       89.05501 700.0452       96.61366 59.53198 6.183092 74.70173 5.345712 -15.16975      8.173571 
1 1 1 21  21 13 o 25.66557 6.792389 80.91546       57.02321 89.79305       78.62943 71.06646       82.81963 26.36592 9.561183 24.96522 9.650389 1.400700       13.58478 
1 1 1 21  21 14 o 23.13425 6.616759 56.40538       57.38318 57.43778       79.38499 55.27565       83.04265 23.09925 9.284433 23.16925 9.430021 -0.6999588E-01 13.23352 
1 1 1 21  21 15 o 23.91460 6.560824 59.27103       63.30922 146.3693       85.52244 -46.32236      94.16590 29.82364 10.02798 18.00557 8.462701 11.81807       13.12165 
1 1 1 21  23 0  o 77.19585 3.429746 726.9066       64.03838 714.3587       91.07377 739.1774       90.06259 76.52792 4.918935 77.86377 4.780868 -1.335854      6.859491 
1 1 1 21  23 1  o 144.8435 4.117968 2553.590       144.3060 2553.590       144.3060 0.000000       0.000000 144.8435 4.117968 ?        ?        ?              ?        
1 1 1 21  23 2  o 73.24683 3.593449 668.6989       62.20959 518.8669       89.62228 808.0161       86.42036 65.07547 5.692412 81.41820 4.387249 -16.34273      7.186899 
1 1 1 21  23 3  o 85.10381 3.188195 881.9205       65.52973 917.3694       96.16892 851.1953       89.53262 86.68357 4.585595 83.52403 4.430651 3.159538       6.376390 
1 1 1 21  23 4  f 85.12534 3.121750 884.0739       64.25609 913.3937       92.78602 857.0547       89.07143 86.47641 4.434887 83.77425 4.394663 2.702156       6.243500 
1 1 1 21  23 5  o 43.37806 5.106973 238.9435       52.03252 218.4841       75.56957 257.3865       71.74918 41.16444 7.874848 45.59168 6.504727 -4.427235      10.21395 
1 1 1 21  23 6  o 44.11581 5.262402 248.8134       54.36892 231.2946       80.54575 263.4766       73.68943 42.19600 8.185189 46.03562 6.616205 -3.839622      10.52480 
1 1 1 21  23 7  o 23.05558 6.513832 38.26801       55.11222 55.00760       80.01231 23.15658       76.02164 24.48779 9.479953 21.62336 8.935912 2.864435       13.02766 
1 1 1 21  23 8  o 29.31317 6.813766 105.6496       58.56171 57.14211       82.76340 154.2870       82.87424 24.75227 9.625049 33.87407 9.647181 -9.121796      13.62753 
1 1 1 21  23 9  o 53.32298 4.671720 359.8403       60.11839 388.2325       85.06846 331.5123       84.97208 55.51995 6.333113 51.12600 6.869611 4.393951       9.343440 
1 1 1 21  23 10 o 32.37118 6.956059 145.1323       59.34348 151.7394       83.67607 138.4462       84.17487 33.04273 9.778769 31.69964 9.895589 1.343092       13.91212 
1 1 1 21  23 11 f 77.35242 3.766568 762.2210       69.73026 840.2541       95.66175 673.7543       101.8565 81.90364 4.827617 72.80120 5.782928 9.102440       7.533137 
1 1 1 21  23 12 o 30.82464 7.382420 139.4864       65.54378 123.4620       89.45811 158.0581       96.30605 29.28187 10.24277 32.36742 10.63420 -3.085545      14.76484 
1 1 1 21  23 13 o 28.16467 7.194212 118.5402       62.01328 104.5368       80.47922 139.0064       97.29414 26.67434 9.672999 29.65499 10.65175 -2.980652      14.38842 
1 1 1 21  25 0  o 76.79465 3.520772 720.8035       65.26361 775.0369       96.30505 674.7449       88.75047 79.44698 5.010365 74.14233 4.947686 5.304649       7.041545 
1 1 1 21  25 1  o 45.28491 5.448643 260.2785       57.67267 264.6265       88.64280 257.0870       75.94460 45.13982 8.426654 45.43000 6.909583 -0.2901802     10.89729 
1 1 1 21  25 2  o 65.95107 3.940164 536.4207       62.25870 540.2302       94.98306 533.5511       82.43785 66.06573 5.942478 65.83641 5.175570 0.2293243      7.880328 
1 1 1 21  25 3  o 31.17092 6.039523 130.1572       55.70882 6.333785       88.40495 211.7118       71.74633 21.91734 9.376098 40.42450 7.615256 -18.50716      12.07905 
1 1 1 21  25 4  o 54.40207 4.703483 384.1519       59.37340 284.6302       88.42519 465.8588       80.12100 47.43268 7.705416 61.37145 5.396071 -13.93877      9.406966 
1 1 1 21  25 5  o 98.19322 3.101843 1185.726       73.51759 1185.096       107.6602 1186.277       100.6342 98.11359 4.535485 98.27287 4.232623 -0.1592789     6.203686 
1 1 1 21  25 6  o 34.04774 6.520003 155.3951       54.62848 171.6262       83.50669 143.2525       72.22758 35.48746 9.526345 32.60801 8.904522 2.879444       13.04001 
1 1 1 21  25 7  o 43.41756 5.739014 249.8785       58.72191 227.4249       85.16000 270.2326       81.08075 40.92921 8.857159 45.90591 7.300403 -4.976700      11.47803 
1 1 1 21  25 8  o 48.67347 6.060260 325.7440       67.14523 481.4843       97.21326 183.6636       92.85218 61.38776 6.545478 35.95918 10.20116 25.42858       12.12052 
1 1 1 21  25 9  o 50.89070 5.049919 337.4020       62.02834 307.1650       85.73453 370.6139       89.85296 48.40870 7.320320 53.37270 6.958424 -4.964001      10.09984 
1 1 1 21  25 10 o 57.20655 4.946104 432.6533       68.42750 419.6880       95.15137 446.5406       98.47646 56.32861 6.982062 58.08450 7.007609 -1.755890      9.892207 
1 1 1 21  25 11 o 28.70273 8.306689 116.2214       93.42301 72.21892       143.7917 148.3641       122.8956 26.87102 11.72591 30.53444 11.76891 -3.663418      16.61338 
1 1 1 21  25 12 o 66.48520 7.179687 692.1471       106.7634 759.5479       181.9443 656.7520       131.8493 65.97933 11.83271 66.99107 8.135017 -1.011734      14.35937 
1 1 1 21  27 0  o 120.2697 3.076007 1773.051       89.27291 1952.991       131.2049 1617.935       121.8189 125.9463 4.305885 114.5932 4.393931 11.35303       6.152014 
1 1 1 21  27 1  o 31.97537 6.714746 127.4970       58.19107 204.4462       89.32030 70.75269       76.70250 38.66463 9.594097 25.28611 9.397049 13.37852       13.42949 
1 1 1 21  27 2  o 28.46386 6.696207 105.7587       56.23643 56.79089       89.78319 137.3730       72.14096 25.06224 9.940123 31.86548 8.975003 -6.803246      13.39241 
1 1 1 21  27 3  o 48.58505 5.481387 295.7721       59.77996 473.6378       94.43196 176.8241       77.22385 61.18208 6.379586 35.98802 8.915340 25.19406       10.96277 
1 1 1 21  27 4  o 71.63576 4.013666 633.0383       68.18975 834.6730       103.7097 479.4861       90.50342 81.69472 5.247146 61.57679 6.074991 20.11793       8.027331 
1 1 1 21  27 5  o 60.01323 4.714489 462.1922       68.42638 469.0763       96.01093 455.0863       97.54635 60.52381 6.556803 59.50265 6.775985 1.021164       9.428979 
1 1 1 21  27 6  f 78.64349 8.096198 823.6763       154.0445 823.6763       154.0445 0.000000       0.000000 78.64349 8.096198 ?        ?        ?              ?        
1 1 1 21  27 7  o 25.04142 7.350977 28.95304       70.90475 132.1832       124.4463 -20.66627      86.27878 30.82859 11.85360 19.25425 8.697100 11.57435       14.70195 
1 1 1 22  0  0  o 328.9844 4.322688 13109.67       486.1924 13109.67       486.1924 13109.67       486.1924 328.9844 6.113204 328.9844 6.113204 0.000000       0.000000 
1 1 1 22  0  1  o 235.7781 3.306365 6733.729       266.4931 6733.729       266.4931 6733.729       266.4931 235.7781 4.675906 235.7781 4.675906 0.000000       0.000000 
1 1 1 22  0  2  o 652.7613 8.103139 51636.05       1808.519 51636.05       1808.519 51636.05       1808.519 652.7613 11.45957 652.7613 11.45957 0.000000       0.000000 
1 1 1 22  0  3  o 988.0347 12.15592 118436.5       4106.585 118436.5       4106.585 118436.5       4106.585 988.0347 17.19107 988.0347 17.19107 0.000000       0.000000 
1 1 1 22  0  4  o 278.3772 3.762971 9386.629       358.1159 9386.629       358.1159 9386.629       358.1159 278.3772 5.321644 278.3772 5.321644 0.000000       0.000000 
1 1 1 22  0  5  o 347.6054 4.534493 14637.05       538.8887 14637.05       538.8887 14637.05       538.8887 347.6054 6.412742 347.6054 6.412742 0.000000       0.000000 
1 1 1 22  0  6  o 308.1509 4.102195 11504.45       432.1652 11504.45       432.1652 11504.45       432.1652 308.1509 5.801379 308.1509 5.801379 0.000000       0.000000 
1 1 1 22  0  7  o 33.56667 3.763532 146.2530       39.97001 146.2530       39.97001 146.2530       39.97001 33.56667 5.322438 33.56667 5.322438 0.000000       0.000000 
1 1 1 22  0  8  o 421.6064 5.385737 21557.60       776.3364 21557.60       776.3364 21557.60       776.3364 421.6064 7.616583 421.6064 7.616583 0.000000       0.000000 
1 1 1 22  0  9  o 51.73521 2.705804 329.2160       47.29375 329.2160       47.29375 329.2160       47.29375 51.73521 3.826585 51.73521 3.826585 0.000000       0.000000 
1 1 1 22  0  10 o 35.30992 3.920515 161.7155       43.87709 161.7155       43.87709 161.7155       43.87709 35.30992 5.544445 35.30992 5.544445 0.000000       0.000000 
1 1 1 22  0  11 o 201.8116 3.000140 4937.467       206.9530 4937.467       206.9530 4937.467       206.9530 201.8116 4.242839 201.8116 4.242839 0.000000       0.000000 
1 1 1 22  0  12 o 237.2864 3.365549 6828.116       272.9931 6828.116       272.9931 6828.116       272.9931 237.2864 4.759605 237.2864 4.759605 0.000000       0.000000 
1 1 1 22  0  13 o 83.59724 2.485561 850.7155       70.80829 850.7155       70.80829 850.7155       70.80829 83.59724 3.515114 83.59724 3.515114 0.000000       0.000000 
1 1 1 22  0  14 o 61.10361 2.879923 458.5369       59.59565 458.5369       59.59565 458.5369       59.59565 61.10361 4.072826 61.10361 4.072826 0.000000       0.000000 
1 1 1 22  0  15 o 15.99877 6.396510 41.70433       53.79334 41.70433       53.79334 41.70433       53.79334 15.99877 9.046031 15.99877 9.046031 0.000000       0.000000 
1 1 1 22  0  16 o 33.81072 5.113109 157.3900       51.95483 157.3900       51.95483 157.3900       51.95483 33.81072 7.231028 33.81072 7.231028 0.000000       0.000000 
1 1 1 22  0  17 o 121.3089 2.606032 1794.472       107.9397 1794.472       107.9397 1794.472       107.9397 121.3089 3.685486 121.3089 3.685486 0.000000       0.000000 
1 1 1 22  0  18 o 53.29954 3.789644 359.1286       67.50734 359.1286       67.50734 359.1286       67.50734 53.29954 5.359366 53.29954 5.359366 0.000000       0.000000 
1 1 1 22  0  19 o 30.11554 7.680643 153.8125       72.52386 153.8125       72.52386 153.8125       72.52386 30.11554 10.86207 30.11554 10.86207 0.000000       0.000000 
1 1 1 22  0  20 o 23.37554 8.306536 112.9864       81.72870 112.9864       81.72870 112.9864       81.72870 23.37554 11.74722 23.37554 11.74722 0.000000       0.000000 
1 1 1 22  2  0  o 121.4360 2.639539 1802.281       67.38057 1821.084       78.14224 1747.769       133.0501 122.6895 2.632547 120.1825 4.575847 2.506996       5.279079 
1 1 1 22  2  1  o 239.4943 3.851208 6976.250       194.3985 7013.005       225.4543 6869.721       383.8238 240.7536 3.870646 238.2351 6.659229 2.518524       7.702417 
1 1 1 22  2  2  o 569.9634 8.328227 38386.08       958.9460 37613.24       1084.081 41165.97       2056.031 557.3798 8.039113 582.5471 14.58801 -25.16736      16.65645 
1 1 1 22  2  3  o 243.1844 3.845516 7475.303       207.6765 8050.904       254.0285 6315.289       360.6227 257.9502 4.070467 228.4185 6.525586 29.53171       7.691031 
1 1 1 22  2  4  o 162.3097 3.015610 3344.158       106.4328 3578.276       128.0048 2819.750       191.5769 171.9762 3.076489 152.6431 5.187564 19.33310       6.031219 
1 1 1 22  2  5  o 263.9550 4.159323 8499.217       232.2937 8569.958       270.1686 8298.632       454.9302 266.1212 4.196170 261.7888 7.182759 4.332336       8.318645 
1 1 1 22  2  6  o 231.5535 4.036482 6414.012       210.5145 6282.570       253.5703 6705.533       377.6293 227.8217 4.600457 235.2854 6.633893 -7.463638      8.072964 
1 1 1 22  2  7  o 564.9187 8.249445 38302.87       955.9225 37839.84       1089.999 39845.33       1989.429 558.4977 8.066817 571.3396 14.39235 -12.84186      16.49889 
1 1 1 22  2  8  o 201.7863 3.448365 4919.806       145.2504 4907.782       167.3236 4956.574       292.5941 201.3551 3.434728 202.2175 5.980597 -0.8623657     6.896731 
1 1 1 22  2  9  o 81.96518 2.691817 832.6834       45.39283 850.8018       52.26293 777.0375       91.59053 83.84534 2.576395 80.08503 4.727124 3.760307       5.383634 
1 1 1 22  2  10 o 128.1462 2.819760 1998.560       75.21828 2007.849       86.68638 1970.256       151.3210 128.7937 2.781981 127.4988 4.905586 1.294899       5.639520 
1 1 1 22  2  11 o 116.7392 2.880145 1716.506       69.63214 1783.186       80.80169 1524.093       137.2586 121.3686 2.751767 112.1097 5.060506 9.258881       5.760291 
1 1 1 22  2  12 o 234.4512 3.876561 6653.492       189.1931 6635.112       217.6626 6710.292       382.6299 233.9989 3.844747 234.9034 6.732667 -0.9044952     7.753121 
1 1 1 22  2  13 o 153.8373 3.132686 2933.668       100.5098 2996.366       116.4681 2750.744       198.9363 157.2594 3.061174 150.4152 5.466635 6.844223       6.265372 
1 1 1 22  2  14 f 87.09439 3.258520 961.3617       55.49048 990.7839       62.78768 856.3950       118.5939 90.40768 2.870561 83.78109 5.850785 6.626595       6.517039 
1 1 1 22  2  15 o 74.14579 2.724924 669.1362       48.86794 653.6576       69.28841 684.4561       68.93236 73.28622 3.907833 75.00536 3.798643 -1.719147      5.449849 
1 1 1 22  2  16 o 72.67009 2.749551 644.6194       48.32615 657.4399       67.98903 631.5280       68.70357 73.41032 3.828066 71.92986 3.947915 1.480461       5.499102 
1 1 1 22  2  17 o 46.33569 3.994789 268.7560       44.22958 223.8606       63.06909 312.2033       62.04367 42.38605 6.150229 50.28532 5.099809 -7.899269      7.989579 
1 1 1 22  2  18 o 115.9593 2.707344 1652.949       75.94693 1683.557       108.1563 1623.177       106.6695 117.0223 3.820153 114.8964 3.837353 2.125923       5.414688 
1 1 1 22  2  19 o 32.83753 6.341004 150.7462       52.35026 183.9693       76.13004 120.9450       72.10290 36.22668 8.778207 29.44838 9.152946 6.778301       12.68201 
1 1 1 22  2  20 o 58.86616 4.465573 462.5577       62.84591 406.7027       91.56149 512.3121       86.41658 55.00222 6.880663 62.73009 5.694018 -7.727871      8.931146 
1 1 1 22  4  0  o 534.8496 6.711667 34423.53       863.9673 32609.46       1153.303 36743.50       1304.240 518.9145 9.186402 550.7847 9.787537 -31.87018      13.42333 
1 1 1 22  4  1  o 116.3078 2.625568 1608.772       63.67937 1582.463       73.06975 1691.850       129.8472 114.3697 2.640732 118.2460 4.538829 -3.876320      5.251137 
1 1 1 22  4  2  o 345.2197 5.210684 14364.41       374.4714 14304.32       430.6075 14550.86       758.5076 343.8097 5.176798 346.6298 9.044649 -2.820129      10.42137 
1 1 1 22  4  3  o 595.1135 8.622367 42445.51       1056.308 42008.54       1206.646 43878.64       2185.236 588.9774 8.467965 601.2497 15.02246 -12.27228      17.24473 
1 1 1 22  4  4  o 348.7811 5.593730 14603.09       440.0001 14381.87       531.2627 15086.26       785.1406 344.6797 6.370762 352.8825 9.196340 -8.202820      11.18746 
1 1 1 22  4  5  o 446.1065 6.980874 23870.88       699.3110 23448.70       840.7728 24818.56       1259.671 439.9558 7.898911 452.2571 11.51250 -12.30130      13.96175 
1 1 1 22  4  6  o 407.3798 6.099568 19655.27       503.4816 19276.54       570.0175 20999.41       1073.849 398.9446 5.905725 415.8150 10.67433 -16.87039      12.19914 
1 1 1 22  4  7  o 248.7007 3.984334 7574.136       209.8260 7662.338       244.3646 7326.591       409.3792 251.5799 4.014765 245.8215 6.883410 5.758469       7.968668 
1 1 1 22  4  8  o 163.6434 3.076186 3233.236       104.4635 3223.944       119.9838 3262.344       212.3635 163.2065 3.038667 164.0803 5.349598 -0.8738403     6.152373 
1 1 1 22  4  9  f 154.5815 3.037306 2838.579       95.55847 2792.569       108.4585 2998.215       202.0244 151.8901 2.951428 157.2730 5.309423 -5.382904      6.074611 
1 1 1 22  4  10 o 219.0864 3.675506 5835.100       168.3671 5850.699       194.3700 5788.221       336.9612 219.7990 3.655116 218.3738 6.377892 1.425232       7.351012 
1 1 1 22  4  11 o 193.6569 3.415390 4605.594       139.4635 4668.382       162.1511 4427.127       273.3759 196.3359 3.413640 190.9778 5.916640 5.358154       6.830781 
1 1 1 22  4  12 o 130.4969 3.012684 2064.262       79.88033 2063.914       90.95621 2065.437       167.0293 130.5527 2.879681 130.4411 5.292683 0.1115875      6.025368 
1 1 1 22  4  13 o 44.64286 4.897510 227.9849       40.02807 217.2940       44.00519 279.2386       96.35149 42.31027 4.298885 46.97545 8.801250 -4.665180      9.795020 
1 1 1 22  4  14 o 110.9204 3.372385 1577.656       81.88763 1709.435       99.39461 1299.227       144.4767 118.6796 3.461659 103.1611 5.788682 15.51855       6.744770 
1 1 1 22  4  15 o 40.17030 5.705713 229.6691       41.13954 243.6272       45.29101 163.8311       98.36418 44.70899 4.187115 35.63161 10.61549 9.077385       11.41143 
1 1 1 22  4  16 o 112.6909 3.212202 1649.176       72.68360 1734.677       83.61835 1384.890       147.0116 119.4442 2.893571 105.9375 5.735870 13.50671       6.424404 
1 1 1 22  4  17 o 71.25343 3.802374 609.6784       53.69898 595.5861       60.28934 663.7716       118.1195 69.79501 3.570375 72.71185 6.714508 -2.916847      7.604748 
1 1 1 22  4  18 f 24.65056 5.794784 68.54935       44.79744 123.7403       63.04889 12.27999       63.66185 30.25655 8.343209 19.04457 8.044186 11.21198       11.58957 
1 1 1 22  4  19 o 52.17390 4.378583 350.4443       55.19067 372.0988       78.25248 329.0110       77.85185 53.87214 6.003874 50.47565 6.375066 3.396488       8.757167 
1 1 1 22  4  20 o 21.31185 8.935091 38.29372       77.60366 0.000000       0.000000 38.29372       77.60366 ?        ?        21.31185 8.935091 ?              ?        
1 1 1 22  6  0  o 428.4427 5.462523 22084.50       563.4806 20901.37       753.4664 23585.92       848.7858 415.5141 7.495072 441.3714 7.948617 -25.85733      10.92505 
1 1 1 22  6  1  o 407.3822 5.221474 20037.65       513.6212 19280.97       700.2562 20918.75       755.6417 399.0857 7.252513 415.6786 7.513736 -16.59296      10.44295 
1 1 1 22  6  2  o 234.9496 4.694302 6626.754       265.4329 7217.133       401.3427 6167.757       353.8792 244.1700 6.793924 225.7291 6.479852 18.44092       9.388604 
1 1 1 22  6  3  o 286.8605 3.874002 9899.266       267.6880 9352.106       358.7827 10586.30       402.0348 277.9775 5.334817 295.7435 5.618833 -17.76593      7.748003 
1 1 1 22  6  4  o 248.6070 3.464140 7468.813       208.1549 7227.990       286.7271 7737.161       302.6706 244.3778 4.849586 252.8362 4.947988 -8.458405      6.928280 
1 1 1 22  6  5  o 220.5025 3.704268 5875.063       169.7126 5863.970       195.0875 5909.578       344.1231 220.1242 3.663190 220.8808 6.439522 -0.7566376     7.408535 
1 1 1 22  6  6  o 131.0066 2.895484 2054.249       77.39612 2034.459       88.07187 2121.356       162.1811 129.6622 2.807511 132.3510 5.064899 -2.688751      5.790969 
1 1 1 22  6  7  o 219.9321 3.690575 5822.179       168.1214 5787.161       192.7849 5933.373       343.5354 218.6444 3.644453 221.2198 6.418672 -2.575424      7.381150 
1 1 1 22  6  8  o 191.0339 3.380851 4405.497       133.9670 4390.654       153.8233 4452.112       272.6040 190.4442 3.338506 191.6235 5.880051 -1.179306      6.761703 
1 1 1 22  6  9  o 339.1900 5.128685 14166.65       370.9406 14389.93       434.1924 13563.36       713.7012 344.5387 5.208850 333.8413 8.836374 10.69742       10.25737 
1 1 1 22  6  10 o 161.1649 3.120534 3120.358       103.6088 3096.102       118.4643 3199.286       213.6941 159.9159 3.061917 162.4140 5.438344 -2.498123      6.241067 
1 1 1 22  6  11 o 190.9717 3.468226 4310.361       133.5516 4222.631       150.8614 4628.198       287.1479 186.7238 3.339460 195.2196 6.079669 -8.495743      6.936452 
1 1 1 22  6  12 o 119.1221 3.109816 1768.607       74.05679 1807.342       84.26223 1637.121       155.2443 122.1615 2.850993 116.0827 5.527718 6.078865       6.219633 
1 1 1 22  6  13 o 105.7357 3.419463 1442.630       79.19048 1586.632       96.65643 1148.602       138.1148 114.3795 3.492854 97.09186 5.879700 17.28761       6.838925 
1 1 1 22  6  14 o 85.75359 3.341095 848.9769       53.52747 823.6049       58.80646 971.5646       129.2619 82.39869 2.949867 89.10848 5.995828 -6.709793      6.682190 
1 1 1 22  6  15 o 26.20353 6.462955 26.17359       37.69241 5.491544       40.16476 178.8221       109.1176 15.34796 6.431047 37.05910 11.21253 -21.71114      12.92591 
1 1 1 22  6  16 o 121.2253 3.298500 1826.702       78.23164 1843.681       88.07718 1763.236       170.2818 123.0959 2.957451 119.3547 5.896938 3.741188       6.596999 
1 1 1 22  6  17 o 28.64871 6.875482 82.94231       43.29048 72.49219       46.73471 146.1035       114.8957 23.82713 7.362872 33.47029 11.61366 -9.643154      13.75096 
1 1 1 22  6  18 o 22.72483 5.935821 57.31680       47.55687 93.65073       52.26091 -117.6919      114.6966 26.48421 7.697176 18.96545 9.038217 7.518759       11.87164 
1 1 1 22  6  19 o 55.56658 5.766071 398.8644       58.97913 384.4924       65.44214 461.0351       136.1104 55.17905 4.902086 55.95411 10.43838 -0.7750549     11.53214 
1 1 1 22  6  20 o 21.09285 8.721533 43.60220       72.47595 0.000000       0.000000 43.60220       72.47595 ?        ?        21.09285 8.721533 ?              ?        
1 1 1 22  8  0  o 385.3823 7.033713 17980.34       655.8110 17980.34       655.8110 0.000000       0.000000 385.3823 7.033713 ?        ?        ?              ?        
1 1 1 22  8  1  o 279.6176 3.809402 9450.349       257.4685 9186.546       354.9738 9743.192       374.0019 275.5070 5.325510 283.7280 5.448404 -8.220978      7.618803 
1 1 1 22  8  2  o 337.4128 6.268520 13782.25       511.7158 0.000000       0.000000 13782.25       511.7158 ?        ?        337.4128 6.268520 ?              ?        
1 1 1 22  8  3  o 452.8953 5.752826 24848.38       630.2622 24605.57       882.5276 25101.11       900.3915 450.6414 8.094591 455.1491 8.176650 -4.507721      11.50565 
1 1 1 22  8  4  o 501.1923 6.328494 30419.65       766.4371 29560.66       1052.995 31387.46       1117.708 493.6992 8.815801 508.6853 9.081904 -14.98615      12.65699 
1 1 1 22  8  5  o 139.4047 2.535209 2352.209       85.50372 2369.874       120.9447 2334.558       120.8963 139.9283 3.572557 138.8812 3.598052 1.047089       5.070418 
1 1 1 22  8  6  o 201.8332 3.016188 4931.084       147.2505 5004.071       210.9690 4861.750       205.6211 203.2879 4.289482 200.3784 4.241452 2.909500       6.032377 
1 1 1 22  8  7  o 234.1363 3.330502 6639.438       188.6326 6721.473       269.6021 6560.766       264.0192 235.5513 4.730809 232.7213 4.689182 2.830063       6.661005 
1 1 1 22  8  8  o 281.2660 4.697489 9637.409       302.1040 9713.387       371.7213 9489.590       518.4915 283.0576 5.428005 279.4743 7.668270 3.583313       9.394978 
1 1 1 22  8  9  o 42.17694 4.881301 206.5253       36.06995 200.0912       39.28779 241.0470       91.00318 40.64292 3.995493 43.71096 8.907550 -3.068039      9.762603 
1 1 1 22  8  10 o 148.2676 3.154547 2740.470       96.44217 2814.129       111.3144 2518.739       193.1315 152.4552 3.017913 144.0800 5.540474 8.375183       6.309093 
1 1 1 22  8  11 o 153.4314 3.213165 2858.523       99.86108 2861.528       113.5979 2848.305       209.4913 153.7148 3.054587 153.1480 5.653955 0.5667877      6.426329 
1 1 1 22  8  12 o 157.3394 3.284363 2974.293       103.1107 2950.220       116.3382 3062.463       222.6484 156.0373 3.081710 158.6415 5.800968 -2.604233      6.568727 
1 1 1 22  8  13 o 112.9914 3.089835 1457.731       67.80128 1398.799       75.21423 1713.266       156.6214 107.4196 2.894105 118.5632 5.460080 -11.14362      6.179669 
1 1 1 22  8  14 o 116.2822 3.364644 1683.310       74.85726 1705.305       83.70692 1595.479       167.2744 118.5345 2.918867 114.0299 6.063294 4.504601       6.729288 
1 1 1 22  8  15 o 42.00671 6.185711 288.3315       42.90158 311.5608       46.02115 134.2058       118.5433 50.54990 3.763005 33.46352 11.78524 17.08637       12.37142 
1 1 1 22  8  16 o 87.03635 3.678752 915.5968       58.33223 905.5187       63.96496 965.3777       142.1618 86.21317 3.066664 87.85951 6.687932 -1.646339      7.357504 
1 1 1 22  8  17 o 58.66947 4.939455 444.6052       52.06704 448.5823       57.28223 425.6990       124.8934 60.41256 3.919137 56.92638 9.068253 3.486172       9.878909 
1 1 1 22  8  18 o 38.65523 6.459807 219.2802       50.04195 229.0061       55.30724 175.3718       117.5140 42.63427 5.361926 34.67618 11.75441 7.958088       12.91961 
1 1 1 22  8  19 o 35.05870 7.110715 181.3812       53.49713 180.9459       58.30281 183.7002       134.5617 36.47091 6.859322 33.64649 12.45788 2.824421       14.22143 
1 1 1 22  8  20 o 31.72340 8.539050 180.5813       90.61988 121.3563       117.1622 268.7686       142.9676 27.32331 11.16993 36.12348 12.91876 -8.800165      17.07810 
1 1 1 22  10 0  o 287.5548 3.912745 9997.412       271.9783 9720.470       375.3075 10303.71       394.6952 283.3685 5.474360 291.7412 5.591929 -8.372742      7.825490 
1 1 1 22  10 1  o 257.2621 3.592504 7991.236       223.2004 7686.102       304.7448 8344.337       327.8232 251.9810 4.998806 262.5432 5.161034 -10.56219      7.185008 
1 1 1 22  10 2  o 491.4606 6.212562 29252.19       737.9011 28479.36       1015.655 30116.16       1073.876 484.6124 8.662623 498.3088 8.907451 -13.69647      12.42512 
1 1 1 22  10 3  o 173.6538 2.823790 3643.509       118.5273 3827.279       172.0074 3477.350       163.5574 177.8155 3.998298 169.4921 3.988582 8.323410       5.647581 
1 1 1 22  10 4  o 376.0470 4.882789 17121.15       443.7543 16650.81       610.6380 17647.52       645.9788 370.5936 6.810573 381.5004 6.998758 -10.90680      9.765578 
1 1 1 22  10 5  f 198.9666 3.022782 4793.550       145.5028 4769.401       204.6531 4818.235       206.9094 198.4605 4.262280 199.4727 4.287403 -1.012207      6.045565 
1 1 1 22  10 6  o 197.2612 3.007643 4697.633       143.2885 4974.646       210.3474 4457.799       195.7232 202.6677 4.289932 191.8547 4.216650 10.81297       6.015285 
1 1 1 22  10 7  o 196.2538 2.997514 4664.790       142.3128 4622.136       199.6648 4708.835       202.8954 195.3429 4.224756 197.1647 4.253445 -1.821747      5.995028 
1 1 1 22  10 8  o 269.1584 4.525067 8867.185       281.4999 8540.155       469.5429 9050.679       351.7164 265.1103 7.320597 273.2067 5.321071 -8.096405      9.050135 
1 1 1 22  10 9  o 251.2206 3.530959 7649.313       214.5365 7526.458       298.7028 7780.211       308.3269 249.1426 4.955516 253.2985 5.031257 -4.155884      7.061918 
1 1 1 22  10 10 o 268.1298 3.716331 8722.060       241.0338 8610.585       336.8768 8838.984       345.0154 266.3795 5.227187 269.8801 5.284031 -3.500580      7.432662 
1 1 1 22  10 11 o 33.52399 5.732037 187.9406       42.15324 219.0430       45.36593 -8.615110      114.0447 42.48855 4.413220 24.55943 10.58057 17.92913       11.46407 
1 1 1 22  10 12 o 142.5874 3.326294 2459.166       92.65888 2450.599       103.8660 2492.564       205.0714 142.1873 3.019328 142.9876 5.927949 -0.8003540     6.652588 
1 1 1 22  10 13 o 58.35291 4.821971 416.7358       48.48462 416.1002       52.58073 420.3450       125.2979 58.51588 3.714074 58.18994 8.900071 0.3259430      9.643942 
1 1 1 22  10 14 o 74.47806 4.141555 668.6791       53.62758 662.8015       58.17020 701.9631       138.4263 73.83110 3.256559 75.12502 7.616084 -1.293915      8.283110 
1 1 1 22  10 15 o 25.02368 6.903784 40.61710       40.39025 33.02300       42.70520 105.0208       124.3650 18.61682 6.993321 31.43055 11.90556 -12.81373      13.80757 
1 1 1 22  10 16 o 40.13473 6.479762 250.4074       46.54078 266.9447       49.99947 143.1291       127.3472 46.56855 4.437826 33.70090 12.17600 12.86765       12.95952 
1 1 1 22  10 17 o 25.28275 7.058749 25.04337       47.07022 4.240928       50.64032 157.1684       127.6238 16.64195 7.107207 33.92356 12.19801 -17.28161      14.11750 
1 1 1 22  10 18 o 45.63897 6.144534 217.0231       52.46061 174.7998       57.20321 440.4521       131.5872 36.15017 6.789775 55.12778 10.24305 -18.97762      12.28907 
1 1 1 22  10 19 o 23.33064 6.728466 63.50574       56.02369 82.66280       61.07115 -38.22725      140.7352 24.28783 8.464867 22.37345 10.46112 1.914379       13.45693 
1 1 1 22  12 0  o 327.2551 4.345986 12975.23       344.0775 13072.38       489.5314 12880.36       483.7188 328.4646 6.160129 326.0456 6.132144 2.419006       8.691972 
1 1 1 22  12 1  o 201.7755 3.071218 4927.742       149.9027 4836.313       209.7222 5023.244       214.3422 199.8628 4.337206 203.6882 4.349502 -3.825409      6.142436 
1 1 1 22  12 2  o 187.3847 2.954735 4249.061       133.9025 4173.881       186.2652 4329.465       192.6286 185.6715 4.146524 189.0978 4.210484 -3.426300      5.909470 
1 1 1 22  12 3  o 108.0573 2.559141 1412.368       66.86086 1343.170       93.23004 1485.646       95.93923 105.3335 3.658365 110.7811 3.579549 -5.447571      5.118281 
1 1 1 22  12 4  o 210.8177 3.157771 5376.173       160.9282 5220.625       222.1448 5547.955       233.4496 207.6154 4.422566 214.0200 4.508545 -6.404617      6.315542 
1 1 1 22  12 5  o 231.1908 3.350221 6460.002       187.0962 6205.065       255.9807 6752.391       274.1396 226.3107 4.675197 236.0710 4.799840 -9.760376      6.700442 
1 1 1 22  12 6  o 260.9366 3.640806 8185.251       228.5724 7640.333       304.3527 8890.198       346.1701 251.0720 5.010448 270.8013 5.283680 -19.72928      7.281612 
1 1 1 22  12 7  o 185.9267 2.952688 4185.547       132.7793 4085.599       185.0507 4291.612       190.6301 183.6409 4.165037 188.2125 4.186398 -4.571594      5.905376 
1 1 1 22  12 9  o 161.7612 2.777052 3171.012       108.6745 3221.351       153.9028 3120.952       153.4760 163.0435 3.901581 160.4789 3.952941 2.564621       5.554104 
1 1 1 22  12 10 o 109.0515 2.652768 1441.658       69.94891 1442.025       97.28749 1441.265       100.6432 109.0698 3.686805 109.0331 3.815257 0.3667450E-01  5.305537 
1 1 1 22  12 11 o 155.4419 2.742315 2930.532       103.0874 3052.462       147.5299 2814.198       144.1057 158.6039 3.844712 152.2798 3.911438 6.324051       5.484630 
1 1 1 22  12 12 o 115.8767 2.651110 1631.685       74.29945 1653.810       104.2188 1608.818       105.9533 116.6832 3.691777 115.0702 3.805828 1.613037       5.302221 
1 1 1 22  12 13 o 120.6715 3.496888 1797.064       80.29859 1807.542       89.47943 1753.718       181.9908 121.9891 3.031796 119.3538 6.302468 2.635269       6.993775 
1 1 1 22  12 14 o 101.1565 3.750811 1241.749       68.43194 1233.186       74.90818 1284.949       168.2452 100.6790 3.075305 101.6341 6.842283 -0.9551392     7.501623 
1 1 1 22  12 15 o 49.18951 6.501541 417.6030       49.99586 455.9467       53.99120 186.9126       132.4313 61.06715 3.654374 37.31186 12.47901 23.75529       13.00308 
1 1 1 22  12 16 o 58.40773 5.845335 460.6845       53.62737 466.1302       57.90277 427.8406       142.2006 61.57107 3.887052 55.24438 11.02554 6.326683       11.69067 
1 1 1 22  12 17 o 35.43289 7.269839 110.5276       51.17791 75.14014       55.10184 332.7781       138.0902 24.09101 8.049520 46.77477 12.10816 -22.68376      14.53968 
1 1 1 22  12 18 o 74.18060 5.364179 784.5005       67.89651 806.5286       74.52064 676.8590       164.7322 80.41721 3.830234 67.94398 10.02133 12.47322       10.72836 
1 1 1 22  12 19 o 22.87180 7.535208 4.439436       77.42025 -14.93970      85.34605 94.47948       183.9645 18.43138 8.450107 27.31222 12.47851 -8.880838      15.07042 
1 1 1 22  14 0  o 124.0832 2.629575 1862.325       78.86435 1901.711       114.5272 1826.808       108.7584 125.3281 3.777094 122.8384 3.659538 2.489685       5.259150 
1 1 1 22  14 1  o 152.9666 2.736044 2824.324       101.0399 2965.164       148.9437 2704.256       137.5228 156.4858 3.934095 149.4474 3.803505 7.038406       5.472089 
1 1 1 22  14 2  o 276.7294 3.820059 9273.577       255.6044 9052.185       354.0906 9514.462       369.3504 273.2885 5.355385 280.1703 5.448967 -6.881775      7.640117 
1 1 1 22  14 3  o 484.5838 6.164282 28542.94       722.3091 28019.95       1002.067 29108.56       1042.108 479.9931 8.628983 489.1745 8.805347 -9.181396      12.32856 
1 1 1 22  14 4  o 216.9703 3.235424 5684.135       169.4878 6012.102       249.6932 5403.914       230.8036 222.7495 4.633272 211.1911 4.517152 11.55838       6.470848 
1 1 1 22  14 5  o 210.0597 3.192906 5342.389       162.1469 5238.237       224.2217 5456.563       234.7620 207.9200 4.457375 212.1995 4.572790 -4.279526      6.385812 
1 1 1 22  14 6  o 320.9186 4.294849 12500.16       333.4518 12587.75       473.7249 12414.14       469.4484 322.0317 6.080304 319.8055 6.067357 2.226166       8.589698 
1 1 1 22  14 7  o 153.0472 2.797759 2838.141       103.5803 2899.553       146.7744 2777.211       146.1967 154.6988 3.921582 151.3957 3.991368 3.303101       5.595518 
1 1 1 22  14 8  o 161.8730 2.834905 3176.373       111.0088 3209.505       156.2681 3142.622       157.7222 162.7284 3.969215 161.0177 4.048712 1.710770       5.669810 
1 1 1 22  14 9  o 95.14233 2.760510 1096.356       63.42401 1076.723       86.74858 1118.903       92.96381 94.23421 3.804972 96.05044 4.000481 -1.816223      5.521020 
1 1 1 22  14 10 o 177.7940 2.954045 3838.354       127.0279 3837.544       177.4230 3839.206       181.9518 177.7831 4.124935 177.8048 4.229709 -0.2168274E-01 5.908090 
1 1 1 22  14 11 o 143.6650 2.722216 2503.044       94.51279 2402.967       129.9636 2615.380       137.6937 140.6282 3.819856 146.7018 3.879504 -6.073639      5.444433 
1 1 1 22  14 12 o 112.3375 2.712173 1531.467       73.58082 1661.144       107.3315 1416.481       101.0687 116.8168 3.797688 107.8581 3.873125 8.958748       5.424346 
1 1 1 22  14 13 o 43.83578 4.380480 237.7973       46.42789 246.3367       65.48146 229.1648       65.83791 44.64803 6.061970 43.02353 6.325104 1.624500       8.760961 
1 1 1 22  14 14 o 143.0536 3.570684 2549.774       99.21820 2568.411       111.4033 2478.287       218.1844 145.1566 3.172189 140.9505 6.398153 4.206039       7.141368 
1 1 1 22  14 15 o 44.50461 6.898897 263.8704       51.31358 263.1819       54.88533 268.6496       144.6066 46.07883 4.923257 42.93038 12.88956 3.148453       13.79779 
1 1 1 22  14 16 f 66.30232 5.039280 533.7117       57.54818 519.1458       62.17983 620.7020       151.9552 64.82091 3.964899 67.78374 9.265903 -2.962837      10.07856 
1 1 1 22  14 17 o 32.77794 7.856595 148.0194       56.86547 147.1067       59.99181 156.0976       178.4823 32.51661 7.737818 33.03926 13.67591 -0.5226555     15.71319 
1 1 1 22  14 18 o 32.61945 8.000164 162.0529       61.36543 155.7034       65.28396 210.2320       179.8321 32.35326 8.299796 32.88565 13.67932 -0.5323906     16.00033 
1 1 1 22  16 0  o 341.7621 4.531322 14143.40       374.0711 13655.91       511.7460 14702.74       548.1625 335.4694 6.305205 348.0547 6.509677 -12.58539      9.062644 
1 1 1 22  16 1  o 161.9105 2.858857 3172.433       111.9297 3085.501       155.2746 3266.468       161.4937 159.6047 4.021168 164.2162 4.064782 -4.611435      5.717713 
1 1 1 22  16 2  o 235.2775 3.422943 6677.597       194.2509 7110.555       288.7869 6319.835       262.5135 242.2012 4.928320 228.3538 4.751613 13.84734       6.845887 
1 1 1 22  16 3  o 355.3618 4.690205 15323.93       403.0161 15647.02       581.7911 15025.87       558.8053 358.9467 6.699383 351.7770 6.565847 7.169678       9.380409 
1 1 1 22  16 4  o 77.64117 3.015120 729.8961       56.56505 782.9085       81.17429 679.8560       78.86578 80.38230 4.174032 74.90005 4.352153 5.482254       6.030239 
1 1 1 22  16 5  o 101.2246 2.844369 1240.979       69.63473 1220.783       96.95508 1262.495       100.0758 100.3756 3.992455 102.0735 4.052413 -1.697914      5.688738 
1 1 1 22  16 6  o 101.8998 2.849157 1258.266       70.21333 1251.017       97.80171 1265.976       100.8623 101.5994 3.978809 102.2002 4.079199 -0.6007919     5.698315 
1 1 1 22  16 7  o 166.0117 2.909775 3342.031       116.8181 3473.969       165.9736 3212.507       164.4485 169.2647 4.052942 162.7586 4.176221 6.506088       5.819550 
1 1 1 22  16 8  o 262.5088 3.700013 8378.336       234.9770 8336.939       330.2684 8420.771       334.3853 261.8572 5.213150 263.1605 5.251995 -1.303284      7.400025 
1 1 1 22  16 9  o 96.49503 2.820938 1129.986       65.79720 1115.270       90.88619 1146.193       95.37888 95.84162 3.919597 97.14843 4.058020 -1.306808      5.641876 
1 1 1 22  16 10 o 151.8481 2.821160 2799.801       103.5401 2978.688       149.4879 2634.847       143.5482 156.5114 3.947826 147.1848 4.031184 9.326599       5.642320 
1 1 1 22  16 11 o 112.1819 2.795847 1533.336       75.86983 1498.127       107.0568 1568.860       107.5371 110.8807 3.990766 113.4832 3.916737 -2.602539      5.591693 
1 1 1 22  16 12 o 172.3718 2.955959 3628.604       123.2173 3767.821       177.2032 3498.279       171.4504 175.5737 4.171669 169.1698 4.189028 6.403870       5.911918 
1 1 1 22  16 13 o 39.20900 5.072192 198.9943       46.44689 154.4398       65.94347 242.8591       65.43116 34.24025 8.089016 44.17775 6.121794 -9.937496      10.14438 
1 1 1 22  16 14 o 65.74335 3.669460 536.7616       58.35294 551.5567       83.42451 522.5888       81.65112 66.63488 5.174754 64.85182 5.204004 1.783058       7.338919 
1 1 1 22  16 15 o 50.44505 4.739806 333.2524       52.82657 481.4674       77.37852 203.8676       72.29628 62.00859 5.157821 38.88150 7.953612 23.12709       9.479612 
1 1 1 22  16 16 o 37.40406 7.079636 228.9359       59.07431 247.0587       63.80619 120.1666       156.3158 43.79432 6.022027 31.01380 12.81484 12.78052       14.15927 
1 1 1 22  16 17 o 40.47334 8.164785 191.0194       60.86097 155.4803       64.90310 449.9703       175.1947 32.56478 8.233207 48.38189 14.10210 -15.81711      16.32957 
1 1 1 22  18 0  o 233.4216 3.431443 6606.113       193.7782 6598.460       272.8377 6613.904       275.2661 233.2872 4.834050 233.5559 4.871465 -0.2687378     6.862886 
1 1 1 22  18 1  o 216.1772 3.295999 5664.725       172.3719 5602.108       241.9679 5729.243       245.6145 214.9653 4.652508 217.3890 4.669969 -2.423752      6.591999 
1 1 1 22  18 2  o 420.0139 5.433640 21388.60       550.4657 22521.86       817.9411 20450.41       744.2225 430.0826 7.860821 409.9453 7.503685 20.13724       10.86728 
1 1 1 22  18 3  o 39.02197 5.350965 191.1234       49.22958 296.0141       72.26179 100.2768       67.25031 49.36393 6.050576 28.68001 8.827334 20.68391       10.70193 
1 1 1 22  18 4  o 57.54251 3.849438 402.3638       53.44342 440.9460       76.18114 364.9750       74.99367 60.26931 5.224550 54.81570 5.654801 5.453613       7.698876 
1 1 1 22  18 5  o 77.09138 3.187798 721.7515       59.40569 695.5281       84.63087 747.2222       83.40714 75.70385 4.620708 78.47893 4.392866 -2.775078      6.375595 
1 1 1 22  18 6  o 163.0750 2.916456 3226.751       115.0568 3277.095       163.8211 3177.743       161.6307 164.3306 4.120492 161.8194 4.128488 2.511169       5.832912 
1 1 1 22  18 7  o 91.91177 2.985118 1025.137       66.28338 950.1700       92.30808 1104.940       95.23827 88.43761 4.314201 95.38592 4.126909 -6.948303      5.970236 
1 1 1 22  18 8  o 81.48820 3.113631 807.9243       61.38250 807.5868       87.21324 808.2555       86.40829 81.46906 4.424736 81.50735 4.381838 -0.3829193E-01 6.227262 
1 1 1 22  18 9  o 45.07944 4.984380 265.9427       49.90208 373.2125       70.38739 157.5389       70.75848 55.24124 5.266585 34.91764 8.463998 20.32360       9.968760 
1 1 1 22  18 10 o 104.2342 2.896405 1327.353       72.94344 1384.759       102.1969 1267.738       104.1459 106.5629 3.963961 101.9056 4.224176 4.657272       5.792811 
1 1 1 22  18 11 f 60.97563 3.756508 457.0139       55.19955 403.7359       76.31905 515.4590       79.93427 57.21445 5.513469 64.73682 5.103632 -7.522366      7.513015 
1 1 1 22  18 12 f 22.95471 5.893347 35.78944       48.05817 -30.62927      66.13251 110.1138       69.95770 16.79818 7.598564 29.11123 9.010437 -12.31305      11.78669 
1 1 1 22  18 13 o 51.96056 4.334852 340.4070       54.31151 316.3616       77.88560 363.1664       75.77407 50.07114 6.429354 53.84997 5.816113 -3.778824      8.669703 
1 1 1 22  18 14 o 64.36510 3.821065 521.8750       59.34869 483.5239       84.34251 559.4879       83.52689 61.91378 5.630629 66.81642 5.167027 -4.902641      7.642130 
1 1 1 22  18 15 o 101.4791 3.113884 1284.224       76.11436 1461.938       111.0589 1126.813       104.5222 108.1974 4.242620 94.76070 4.559088 13.43671       6.227769 
1 1 1 22  18 16 o 22.69302 6.296987 41.88379       58.12292 117.6919       78.09679 -52.24199      87.02210 27.95932 9.581850 17.42672 8.172900 10.53260       12.59397 
1 1 1 22  20 0  o 63.72947 3.647043 495.8909       55.91750 456.4304       81.25627 531.3887       77.06841 61.29222 5.479604 66.16672 4.814314 -4.874493      7.294086 
1 1 1 22  20 1  o 125.8416 2.882861 1897.086       87.22477 1666.945       116.3650 2192.223       131.7764 117.2353 4.102624 134.4479 4.051177 -17.21263      5.765723 
1 1 1 22  20 2  o 219.9349 3.332191 5857.777       177.0450 6174.118       259.1044 5580.727       242.4805 225.4830 4.749617 214.3867 4.674946 11.09634       6.664382 
1 1 1 22  20 3  o 129.4747 2.843652 2033.836       89.00868 2026.524       123.3868 2041.769       128.5250 129.2395 3.946126 129.7099 4.095550 -0.4703674     5.687305 
1 1 1 22  20 4  o 97.66978 2.913740 1157.588       68.82505 1203.346       98.52159 1113.973       96.18704 99.55655 4.090339 95.78303 4.150742 3.773521       5.827481 
1 1 1 22  20 5  o 114.6896 2.791998 1597.432       77.46442 1589.320       108.7128 1605.799       110.4093 114.3962 3.927958 114.9830 3.968899 -0.5867615     5.583996 
1 1 1 22  20 6  o 101.3985 2.870798 1250.318       70.37241 1315.604       100.1210 1186.572       98.93291 104.0252 3.978178 98.77174 4.140051 5.253441       5.741596 
1 1 1 22  20 7  o 56.53507 4.283638 393.0272       58.45076 378.9096       84.66644 405.8827       80.79322 55.52980 6.302066 57.54035 5.803635 -2.010551      8.567276 
1 1 1 22  20 8  o 31.20662 5.485524 119.4376       51.01894 -0.3599010     75.20966 221.5560       69.43873 20.09464 8.623583 42.31859 6.782163 -22.22395      10.97105 
1 1 1 22  20 9  o 104.3037 2.974795 1329.890       75.06112 1356.732       106.7758 1303.665       105.5399 105.3487 4.189297 103.2587 4.224621 2.089981       5.949591 
1 1 1 22  20 10 o 21.60045 6.000533 22.44046       49.45853 -29.82752      68.75830 78.47895       71.19516 17.26790 7.785220 25.93300 9.133233 -8.665104      12.00107 
1 1 1 22  20 11 o 91.86881 3.176629 1045.206       70.20690 1133.898       97.39960 949.2884       101.2897 96.05433 4.191195 87.68330 4.774702 8.371033       6.353259 
1 1 1 22  20 12 o 67.65060 3.879087 571.9356       63.44860 598.0995       91.58292 547.7870       87.98494 69.14098 5.474906 66.16023 5.496788 2.980751       7.758175 
1 1 1 22  20 13 o 58.92738 4.509215 444.3985       63.75429 520.6382       92.15305 374.4088       88.29501 63.98275 5.953119 53.87202 6.774396 10.11073       9.018430 
1 1 1 22  20 14 o 62.76558 4.193225 510.3676       63.39054 551.2643       88.52840 467.3352       90.81069 65.58233 5.579476 59.94882 6.261148 5.633507       8.386450 
1 1 1 22  20 15 o 16.25038 5.380985 -88.14233      57.92697 12.63782       78.83684 -206.3959      85.39821 19.67049 8.630431 12.83027 6.429280 6.840216       10.76197 
1 1 1 22  22 0  o 140.0247 2.895550 2382.272       98.08781 2394.396       138.2305 2369.975       139.2089 140.3873 4.069805 139.6621 4.119895 0.7251892      5.791101 
1 1 1 22  22 1  o 46.64443 5.059607 278.1432       53.47589 190.2315       75.73917 365.5330       75.51399 38.56576 8.358625 54.72309 5.703671 -16.15733      10.11921 
1 1 1 22  22 2  o 80.57914 3.139907 782.5823       60.88896 900.8898       91.00927 686.7134       81.92532 86.04677 4.371684 75.11151 4.508264 10.93526       6.279814 
1 1 1 22  22 3  f 210.1463 3.255642 5379.975       165.5030 5465.504       236.3410 5297.675       231.8371 211.7820 4.612622 208.5106 4.595708 3.271378       6.511284 
1 1 1 22  22 4  o 56.55735 4.034475 390.0490       54.68724 469.6292       80.29236 321.1866       74.69005 61.95552 5.356633 51.15918 6.034438 10.79634       8.068951 
1 1 1 22  22 5  o 128.3258 2.834829 1998.031       87.81783 2157.148       129.3471 1861.968       119.6100 133.0423 4.018507 123.6092 3.999578 9.433044       5.669658 
1 1 1 22  22 6  o 108.9969 2.899412 1439.750       76.17857 1608.284       113.1798 1300.160       103.0033 114.7928 4.075231 103.2010 4.125391 11.59175       5.798824 
1 1 1 22  22 7  o 23.86237 6.546018 49.93015       53.53867 51.98125       82.32897 48.42715       70.47565 24.56390 9.586447 23.16085 8.916359 1.403048       13.09204 
1 1 1 22  22 8  o 74.73753 3.674411 693.7845       65.67147 814.0392       92.98062 574.0826       92.76672 81.37119 4.723017 68.10388 5.630125 13.26730       7.348823 
1 1 1 22  22 9  o 110.4224 3.013589 1499.247       80.37457 1608.273       114.2701 1392.493       113.0730 114.4517 4.126750 106.3931 4.392814 8.058556       6.027178 
1 1 1 22  22 10 o 26.57735 6.093470 64.52697       53.64774 -26.64699      73.26200 169.9431       78.77652 17.87132 8.048668 35.28339 9.150980 -17.41207      12.18694 
1 1 1 22  22 11 o 40.95116 6.092414 236.8134       60.65198 125.9535       87.34509 340.0448       84.28637 30.40854 10.13400 51.49377 6.765506 -21.08524      12.18483 
1 1 1 22  22 12 o 23.68133 6.722161 52.61049       59.68497 75.37408       80.74784 25.19572       88.61408 25.20789 9.582478 22.15476 9.430055 3.053129       13.44432 
1 1 1 22  22 13 o 51.77586 5.307531 361.9071       63.94475 287.2359       86.13555 453.5854       95.44189 45.13063 8.190407 58.42108 6.752539 -13.29045      10.61506 
1 1 1 22  22 14 o 31.63175 7.184740 168.1138       65.57180 208.4836       86.83857 114.5620       100.0165 36.08494 9.726267 27.17856 10.57741 8.906380       14.36948 
1 1 1 22  24 0  o 20.14038 5.996675 5.487773       51.10447 -34.85784      79.18073 34.29356       66.90541 18.60200 8.373567 21.67877 8.586256 -3.076777      11.99335 
1 1 1 22  24 1  o 152.6571 2.949032 2825.617       108.5596 3101.806       161.4436 2597.662       146.6704 159.4170 4.185852 145.8971 4.155213 13.51990       5.898063 
1 1 1 22  24 2  o 32.68398 6.167291 126.6746       53.20884 222.5560       82.07319 57.15627       69.88502 41.39781 8.479680 23.97015 8.957508 17.42767       12.33458 
1 1 1 22  24 3  o 32.56097 6.094724 142.1165       53.01825 60.59292       79.81661 206.4909       70.92650 25.08813 9.529435 40.03381 7.600822 -14.94568      12.18945 
1 1 1 22  24 4  f 56.23841 4.248605 386.4875       57.27498 428.2139       88.58646 356.5169       75.07757 58.76469 6.230869 53.71213 5.777442 5.052559       8.497210 
1 1 1 22  24 5  o 32.02332 6.514502 133.2465       52.85487 151.8268       80.62650 119.2441       69.99255 33.82211 9.474859 30.22453 8.943265 3.597582       13.02900 
1 1 1 22  24 6  o 68.05211 3.779124 570.5743       62.07303 617.9792       91.56608 530.2647       84.43584 70.65157 5.356862 65.45264 5.332088 5.198929       7.558249 
1 1 1 22  24 7  o 56.48324 4.569532 401.7064       62.30671 372.4351       88.17544 430.8976       88.05466 54.34264 6.706633 58.62383 6.208345 -4.281185      9.139064 
1 1 1 22  24 8  f 72.65170 3.901855 660.1622       68.57717 654.5099       97.34361 665.7314       96.62590 72.32340 5.563221 72.98001 5.472520 -0.6566086     7.803710 
1 1 1 22  24 9  o 121.4797 3.047463 1828.919       89.46258 1830.117       123.6372 1827.604       129.6126 121.5926 4.202811 121.3669 4.414124 0.2257080      6.094925 
1 1 1 22  24 10 o 25.93784 6.744665 74.37225       59.39205 132.9806       84.56792 17.33090       83.42973 30.64002 9.960171 21.23566 9.097089 9.404362       13.48933 
1 1 1 22  24 11 o 24.73361 6.861093 67.73507       60.23573 41.26670       80.92326 100.6216       90.20258 22.21945 9.203883 27.24777 10.17776 -5.028322      13.72219 
1 1 1 22  24 12 o 29.27412 7.315907 134.9339       64.95965 146.2169       88.37198 121.6709       95.81203 30.36969 10.19376 28.17855 10.49654 2.191143       14.63181 
1 1 1 22  26 0  o 74.56940 3.667946 681.9069       65.93398 761.3130       97.92204 616.0467       89.17941 78.52233 5.154481 70.61646 5.219830 7.905869       7.335891 
1 1 1 22  26 1  o 128.0355 2.992882 2011.328       92.68444 2033.671       132.8890 1990.166       129.3345 128.7125 4.267424 127.3585 4.197436 1.354042       5.985765 
1 1 1 22  26 2  o 97.39107 3.170572 1159.422       74.26719 1236.712       112.5306 1099.778       98.85300 100.1879 4.642512 94.59420 4.319396 5.593735       6.341143 
1 1 1 22  26 3  o 29.56428 6.427962 97.31066       55.27734 192.2755       85.18706 28.24237       72.64931 37.66259 9.383363 21.46597 8.787905 16.19662       12.85592 
1 1 1 22  26 4  o 19.24849 6.023845 -18.24352      55.12418 7.405806       84.05238 -37.60207      73.02111 21.20703 9.109137 17.28996 7.884825 3.917070       12.04769 
1 1 1 22  26 5  o 20.25259 6.110714 -23.90944      54.44459 67.58160       89.29114 -78.05511      68.69116 25.73952 10.00062 14.76566 7.025024 10.97386       12.22143 
1 1 1 22  26 6  o 54.09409 4.667114 365.4771       60.30928 427.4927       94.95087 323.5388       78.08260 57.77189 6.793289 50.41630 6.401488 7.355591       9.334229 
1 1 1 22  26 7  o 30.91687 6.799673 134.1544       58.91821 83.62851       87.55453 175.9700       79.65099 26.47898 9.999179 35.35476 9.217299 -8.875778      13.59935 
1 1 1 22  26 8  o 53.76704 7.407359 426.2878       91.45500 391.5526       146.1135 448.6615       117.2666 50.06096 12.17999 57.47312 8.433490 -7.412163      14.81472 
1 1 1 22  26 9  o 28.04536 8.209448 94.17582       90.20918 102.0107       138.2325 88.36407       119.0549 28.77948 11.98410 27.31124 11.22326 1.468241       16.41890 
1 1 1 22  26 10 o 53.44739 7.789891 485.1464       98.55478 322.1892       148.6471 612.9685       131.6505 41.38631 13.18067 65.50848 8.306592 -24.12217      15.57978 
1 1 1 23  1  0  o 647.1509 8.034379 50731.82       1257.551 51475.96       1805.628 50030.87       1752.454 651.7488 11.45106 642.5530 11.27289 9.195801       16.06876 
1 1 1 23  1  1  o 622.7021 7.738176 46972.99       1165.652 46556.68       1633.304 47405.14       1664.089 619.8953 10.89046 625.5090 10.99615 -5.613647      15.47635 
1 1 1 23  1  2  o 345.2010 4.498651 14422.58       375.7098 14468.69       532.7626 14376.96       529.9164 345.7496 6.368978 344.6523 6.355122 1.097290       8.997302 
1 1 1 23  1  3  o 146.3760 2.473618 2591.948       87.59312 2562.793       122.9300 2622.017       124.8429 145.5400 3.491189 147.2120 3.505245 -1.671951      4.947236 
1 1 1 23  1  4  o 254.4881 3.509475 7837.597       216.0770 7829.302       304.9091 7845.964       306.2533 254.3530 4.954859 254.6232 4.971421 -0.2701721     7.018950 
1 1 1 23  1  5  o 337.8275 5.420415 13849.15       419.5790 13904.66       516.8257 13741.82       718.6021 338.8910 6.303501 336.7641 8.819834 2.126892       10.84083 
1 1 1 23  1  6  o 379.6052 4.899890 17453.29       449.8943 17216.44       627.7568 17703.41       645.0904 376.9621 6.883215 382.2482 6.975459 -5.286102      9.799780 
1 1 1 23  1  7  o 517.8612 6.515660 32564.07       816.2386 32896.40       1165.796 32244.49       1143.207 520.4428 9.258639 515.2796 9.170218 5.163208       13.03132 
1 1 1 23  1  8  f 282.0531 4.399716 9663.546       260.6390 9682.144       301.5157 9608.566       518.4219 282.7500 4.407629 281.3562 7.615959 1.393829       8.799433 
1 1 1 23  1  9  o 318.7441 4.893290 12237.27       323.3737 12149.17       370.9169 12516.36       660.1858 316.6473 4.841708 320.8409 8.504998 -4.193542      9.786579 
1 1 1 23  1  10 o 231.2990 3.783051 6609.718       187.1761 6756.675       219.8428 6222.487       356.8641 236.1922 3.847197 226.4057 6.514981 9.786484       7.566103 
1 1 1 23  1  11 o 214.4644 3.628090 5567.564       162.4042 5557.254       187.1156 5599.048       326.9814 214.2003 3.610668 214.7285 6.294062 -0.5282440     7.256179 
1 1 1 23  1  12 o 24.30410 5.621553 65.74818       33.53538 64.07030       38.00615 71.64783       71.26676 22.71489 6.553181 25.89330 9.135823 -3.178415      11.24311 
1 1 1 23  1  13 o 95.63274 2.457453 1108.488       56.78886 1184.630       81.14985 1035.412       79.49876 98.85520 3.393016 92.41026 3.555804 6.444939       4.914906 
1 1 1 23  1  14 o 48.05193 3.399261 279.8041       39.13931 229.7243       53.49154 337.5092       57.41967 43.42665 5.091273 52.67719 4.505425 -9.250538      6.798523 
1 1 1 23  1  15 o 16.38296 4.930686 -4.987290      35.66948 21.86515       48.96646 -35.34505      52.06449 18.34275 7.320014 14.42317 6.607876 3.919586       9.861371 
1 1 1 23  1  16 o 49.21634 3.538918 296.5123       41.93565 339.4644       61.06999 258.1877       57.68646 52.60812 4.798139 45.82457 5.203232 6.783554       7.077836 
1 1 1 23  1  17 o 23.58062 5.686927 62.74581       40.48953 95.24364       58.12443 32.11008       56.43464 27.10994 8.179200 20.05130 7.903494 7.058640       11.37385 
1 1 1 23  1  18 o 39.52229 5.016077 202.4990       46.87147 223.0249       67.60765 183.5028       65.03944 41.86203 6.675337 37.18254 7.488923 4.679497       10.03215 
1 1 1 23  1  19 o 36.35687 6.315473 187.2992       55.19995 176.8609       78.80431 197.3546       77.34519 35.22129 9.161232 37.49245 8.695552 -2.271160      12.63095 
1 1 1 23  1  20 o 46.38347 5.668267 307.5412       61.22173 347.3976       84.38602 263.2512       88.95581 50.68224 6.881965 42.08470 9.008638 8.597538       11.33653 
1 1 1 23  3  0  o 380.7495 5.691157 17380.53       448.2160 17224.38       513.2528 17882.21       919.9654 377.2643 5.623196 384.2345 9.896298 -6.970184      11.38231 
1 1 1 23  3  1  f 424.0791 6.253095 21658.66       551.5040 21545.85       633.7346 22010.71       1119.532 421.9259 6.208247 426.2323 10.85645 -4.306427      12.50619 
1 1 1 23  3  2  o 262.2187 4.371570 8446.896       266.7411 8812.676       338.2513 7845.330       433.7811 269.8593 5.180833 254.5781 7.042831 15.28125       8.743140 
1 1 1 23  3  3  o 50.02608 2.928539 286.3730       30.69020 271.3691       35.02438 335.9905       63.69207 47.36016 3.056716 52.69201 4.996182 -5.331852      5.857077 
1 1 1 23  3  4  o 269.9211 5.202411 8817.741       339.7377 8817.741       339.7377 0.000000       0.000000 269.9211 5.202411 ?        ?        ?              ?        
1 1 1 23  3  5  o 195.2252 3.388446 4540.432       136.3340 4476.214       155.6616 4751.934       282.4936 192.3359 3.345176 198.1144 5.893730 -5.778534      6.776891 
1 1 1 23  3  6  o 178.6387 3.218765 3872.306       119.9601 3881.191       138.3115 3845.331       241.0025 179.0876 3.192202 178.1898 5.590316 0.8977966      6.437530 
1 1 1 23  3  7  o 435.0296 6.420064 22914.24       582.0540 22844.43       669.9879 23129.09       1175.284 434.1288 6.378903 435.9305 11.14354 -1.801636      12.84013 
1 1 1 23  3  8  o 93.62406 2.669439 1052.325       50.97364 1044.746       58.02974 1077.930       106.6582 92.91390 2.581473 94.33422 4.673288 -1.420319      5.338879 
1 1 1 23  3  9  o 386.1107 5.747503 18270.44       469.8536 18433.51       546.8876 17810.83       918.1509 389.8835 5.797770 382.3378 9.925776 7.545624       11.49501 
1 1 1 23  3  10 o 146.8264 2.973846 2585.118       89.99998 2561.302       102.8910 2662.701       185.7035 145.4579 2.923733 148.1949 5.179461 -2.736938      5.947691 
1 1 1 23  3  11 o 439.3107 6.576005 23048.55       586.6899 22640.99       665.3226 24473.53       1244.042 431.7563 6.369292 446.8651 11.50684 -15.10876      13.15201 
1 1 1 23  3  12 o 63.56639 3.510026 481.1956       44.01534 474.7103       49.38525 506.2462       97.06067 62.60120 3.260711 64.53159 6.216824 -1.930397      7.020052 
1 1 1 23  3  13 o 58.60835 3.965393 430.3145       43.49818 437.8157       48.36556 398.5723       99.49188 60.09699 3.326452 57.11971 7.199450 2.977280       7.930785 
1 1 1 23  3  14 o 130.1561 3.117499 2094.070       81.80074 2122.081       93.18709 2000.000       170.7721 132.2872 2.911627 128.0250 5.513404 4.262146       6.234998 
1 1 1 23  3  15 o 106.1975 3.180356 1404.811       67.12587 1427.160       76.11402 1326.591       142.3926 108.4143 2.901856 103.9808 5.660203 4.433533       6.360712 
1 1 1 23  3  16 o 115.7342 3.024111 1652.028       72.20547 1664.441       82.98060 1613.326       146.5240 116.9848 2.931871 114.4836 5.290095 2.501244       6.048221 
1 1 1 23  3  17 o 26.56322 5.357190 84.70982       40.95474 20.76431       57.30171 151.4857       58.55616 19.11530 7.812699 34.01115 7.332098 -14.89585      10.71438 
1 1 1 23  3  18 o 24.17451 6.004701 65.33117       46.42613 20.88906       66.42717 107.7690       64.91198 20.00193 8.316483 28.34710 8.663823 -8.345177      12.00940 
1 1 1 23  3  19 o 43.42410 5.398461 254.8554       54.97876 294.8523       78.07807 215.5204       77.42941 47.52495 6.790552 39.32325 8.394160 8.201698       10.79692 
1 1 1 23  3  20 o 29.39688 9.963019 134.6973       84.42464 0.000000       0.000000 134.6973       84.42464 ?        ?        29.39688 9.963019 ?              ?        
1 1 1 23  5  0  o 558.5876 6.982835 37786.82       943.5398 38179.16       1348.491 37410.50       1320.677 561.4239 9.927841 555.7513 9.822316 5.672607       13.96567 
1 1 1 23  5  1  o 514.3501 6.460974 32040.37       804.0054 32073.63       1137.720 32007.19       1136.352 514.6167 9.137957 514.0836 9.136437 0.5331421      12.92195 
1 1 1 23  5  2  o 153.3141 3.636574 2843.961       134.8891 0.000000       0.000000 2843.961       134.8891 ?        ?        153.3141 3.636574 ?              ?        
1 1 1 23  5  3  o 290.6896 4.538696 10118.97       272.6570 10019.15       312.0211 10441.40       560.7794 287.7426 4.482058 293.6366 7.893682 -5.893951      9.077393 
1 1 1 23  5  4  o 486.4691 7.074789 28828.73       726.1191 28977.43       842.6302 28399.76       1431.148 489.1716 7.119894 483.7666 12.22774 5.404938       14.14958 
1 1 1 23  5  5  o 339.3148 5.166603 13830.84       362.4131 13721.49       415.0168 14182.04       743.7569 336.6585 5.095347 341.9710 8.989581 -5.312500      10.33321 
1 1 1 23  5  6  o 282.4179 4.438788 9580.627       259.1143 9503.822       296.6980 9827.483       531.9155 280.1772 4.377030 284.6586 7.723534 -4.481445      8.877577 
1 1 1 23  5  7  o 193.0193 3.382004 4607.989       138.7209 4717.712       162.3893 4311.719       266.8407 197.4205 3.399874 188.6181 5.847448 8.802414       6.764008 
1 1 1 23  5  8  f 247.4530 3.977580 7578.760       210.7944 7768.038       247.9315 7085.068       400.4148 253.2701 4.046183 241.6358 6.849305 11.63425       7.955160 
1 1 1 23  5  9  o 226.1378 3.756673 6245.351       178.5205 6292.756       206.8715 6107.079       353.3082 227.9545 3.751027 224.3211 6.510005 3.633392       7.513346 
1 1 1 23  5  10 o 90.08717 2.836984 927.0571       51.04362 887.1716       57.15862 1084.117       113.4245 85.60940 2.759676 94.56496 4.957631 -8.955559      5.673968 
1 1 1 23  5  11 o 199.3198 3.517762 4689.224       142.3078 4585.362       161.1202 5057.704       303.4789 194.5724 3.422681 204.0672 6.146856 -9.494705      7.035523 
1 1 1 23  5  12 o 159.1962 3.215031 3181.905       107.0094 3296.757       124.6562 2860.202       208.6277 164.9704 3.123243 153.4220 5.620592 11.54839       6.430062 
1 1 1 23  5  13 o 144.6583 3.141585 2596.200       93.22836 2646.668       107.1555 2439.024       189.1038 147.7757 2.997153 141.5408 5.522254 6.234955       6.283170 
1 1 1 23  5  14 o 174.7561 3.340100 3627.623       118.0266 3553.459       133.5082 3892.921       252.5108 171.1044 3.225111 178.4079 5.850105 -7.303497      6.680200 
1 1 1 23  5  15 o 36.48291 5.682706 121.4684       39.85281 90.93645       43.54656 278.8816       98.87748 26.61667 6.751902 46.34916 9.142451 -19.73248      11.36541 
1 1 1 23  5  16 o 68.15384 3.851909 571.1157       50.45323 569.8358       56.31264 576.3236       113.5931 68.36770 3.404494 67.93998 6.910733 0.4277191      7.703818 
1 1 1 23  5  17 o 40.14334 6.377076 226.4467       48.24454 234.5981       52.90493 186.1987       117.5578 43.52950 5.023544 36.75719 11.72316 6.772305       12.75415 
1 1 1 23  5  18 o 33.93771 6.909508 134.3612       48.00846 118.9631       52.52001 212.6115       118.3955 29.78265 7.336812 38.09278 11.71052 -8.310135      13.81902 
1 1 1 23  5  19 f 21.51722 5.826258 23.04607       49.37571 106.6850       70.88013 -55.80385      68.82098 27.60632 9.125625 15.42811 7.245971 12.17822       11.65252 
1 1 1 23  5  20 o 54.45024 6.437259 400.5741       84.80142 0.000000       0.000000 400.5741       84.80142 ?        ?        54.45024 6.437259 ?              ?        
1 1 1 23  7  0  o 448.1994 5.698053 24068.18       612.8271 22447.65       806.8763 26277.31       942.0854 430.5755 7.745605 465.8234 8.359238 -35.24786      11.39611 
1 1 1 23  7  1  o 373.9776 4.847059 16909.69       438.1348 16462.10       603.7843 17407.52       636.7624 368.7607 6.767604 379.1946 6.940855 -10.43390      9.694118 
1 1 1 23  7  2  o 749.4099 9.284066 67984.95       1679.812 65719.43       2289.156 70628.26       2472.668 735.9637 12.85632 762.8561 13.39741 -26.89233      18.56813 
1 1 1 23  7  3  o 486.1715 6.137521 28631.34       721.7302 29036.08       1034.830 28248.01       1007.097 489.5104 8.737851 482.8326 8.621289 6.677734       12.27504 
1 1 1 23  7  4  o 430.9357 5.497629 22501.78       573.0914 22757.89       819.1879 22256.28       802.0317 433.3328 7.813753 428.5386 7.735693 4.794159       10.99526 
1 1 1 23  7  5  o 222.3564 3.215240 5985.018       172.9486 5915.311       242.3820 6057.321       246.8517 221.0382 4.532424 223.6745 4.561601 -2.636276      6.430480 
1 1 1 23  7  6  o 230.2989 3.284230 6403.943       182.6399 6127.483       249.0517 6725.608       268.6432 224.9412 4.576338 235.6566 4.711878 -10.71536      6.568460 
1 1 1 23  7  7  o 209.8019 3.596349 5364.653       157.7937 5396.144       182.3241 5270.672       314.9685 211.1217 3.569513 208.4821 6.244476 2.639587       7.192698 
1 1 1 23  7  8  o 192.7073 3.426528 4569.261       138.9185 4642.815       161.4288 4359.310       272.7337 195.8260 3.407284 189.5886 5.945990 6.237350       6.853056 
1 1 1 23  7  9  o 26.04646 5.687768 70.66872       30.58315 65.95051       33.08326 98.39381       80.19661 22.89068 5.927041 29.20224 9.709430 -6.311560      11.37554 
1 1 1 23  7  10 o 311.4268 4.818404 11830.62       314.8552 11877.21       364.2893 11693.04       625.9836 312.9931 4.810711 309.8604 8.350157 3.132751       9.636807 
1 1 1 23  7  11 o 25.24106 6.247498 50.12140       36.01740 39.38970       39.00020 112.3379       93.90427 19.22181 6.760814 31.26031 10.50792 -12.03849      12.49500 
1 1 1 23  7  12 o 183.2990 3.419583 4060.983       128.3778 4043.764       146.5488 4117.787       266.1792 182.6617 3.316136 183.9362 5.981424 -1.274490      6.839166 
1 1 1 23  7  13 o 51.57570 4.674994 311.9735       41.87396 306.3841       45.29936 344.7948       109.7712 50.24061 3.726789 52.91079 8.575156 -2.670177      9.349987 
1 1 1 23  7  14 o 46.50614 5.510600 279.2177       42.03827 282.0523       45.52691 262.8198       109.5014 48.14604 3.908456 44.86625 10.30489 3.279789       11.02120 
1 1 1 23  7  15 o 65.09020 4.508399 555.5619       48.79128 568.8454       52.91640 480.1904       126.0484 68.38075 3.198557 61.79965 8.430413 6.581104       9.016797 
1 1 1 23  7  16 o 43.65015 6.213712 349.0755       47.15919 391.0084       50.93499 97.28733       124.8120 56.56044 3.722213 30.73986 11.85690 25.82058       12.42742 
1 1 1 23  7  17 o 25.05179 6.751651 65.71235       44.68531 69.47719       47.93370 40.72576       123.4871 23.40211 7.488154 26.70147 11.23685 -3.299362      13.50330 
1 1 1 23  7  18 o 85.18654 4.129572 979.0327       64.50153 1016.401       71.93302 825.6990       145.7130 90.96867 3.268392 79.40441 7.584924 11.56426       8.259144 
1 1 1 23  7  19 o 45.98020 6.642072 274.5146       57.30481 255.0991       63.10206 365.8537       136.8667 44.34841 5.881163 47.61199 11.91136 -3.263580      13.28414 
1 1 1 23  7  20 o 27.08376 8.034679 112.5251       93.14719 160.4997       118.4976 34.94349       150.6896 29.83537 11.54047 24.33216 11.18221 5.503212       16.06936 
1 1 1 23  9  0  o 120.7606 3.614304 1764.562       105.5972 1764.562       105.5972 0.000000       0.000000 120.7606 3.614304 ?        ?        ?              ?        
1 1 1 23  9  1  o 329.5412 4.353601 13147.84       347.0930 13079.19       488.4265 13217.88       493.3376 328.6729 6.142329 330.4095 6.171481 -1.736633      8.707203 
1 1 1 23  9  2  o 552.1075 6.922337 36974.96       924.6525 36961.49       1307.051 36988.45       1308.262 552.0073 9.786906 552.2078 9.792418 -0.2005005     13.84467 
1 1 1 23  9  3  o 677.0079 8.434104 55677.41       1380.418 54497.17       1908.451 56972.45       1999.114 669.5321 11.78168 684.4838 12.07180 -14.95172      16.86821 
1 1 1 23  9  4  o 264.1076 3.653413 8447.446       233.4264 8407.835       327.8189 8488.187       332.4596 263.4811 5.142594 264.7342 5.190707 -1.253052      7.306827 
1 1 1 23  9  5  o 188.8135 2.920211 4314.805       133.3707 4404.220       190.9665 4229.663       186.3476 190.7220 4.138606 186.9050 4.120980 3.817032       5.840422 
1 1 1 23  9  6  o 196.9515 2.996450 4691.813       142.6817 4855.180       206.5273 4542.642       197.3503 200.2261 4.263385 193.6770 4.211698 6.549026       5.992900 
1 1 1 23  9  7  o 280.6323 3.820044 9544.379       259.3158 9423.797       362.5384 9670.700       371.0661 278.8209 5.374356 282.4437 5.430216 -3.622803      7.640088 
1 1 1 23  9  8  o 191.5983 3.674991 4404.828       157.9905 4330.458       189.8603 4572.278       284.8913 189.0718 4.150545 194.1249 6.065906 -5.053131      7.349982 
1 1 1 23  9  9  o 94.26477 3.059803 1019.585       54.87020 986.5489       60.55784 1171.089       129.6836 90.27482 2.772691 98.25473 5.455434 -7.979912      6.119606 
1 1 1 23  9  10 o 236.3271 3.930530 6981.355       199.4503 7238.232       235.7406 6334.325       374.1396 244.3996 3.986866 228.2546 6.775040 16.14500       7.861060 
1 1 1 23  9  11 o 49.57834 5.749364 377.2333       45.51533 410.7761       49.95902 213.4444       110.3968 58.21908 3.546878 40.93761 10.93803 17.28147       11.49873 
1 1 1 23  9  12 o 40.68146 5.926150 221.8139       42.12243 229.0174       45.80951 182.3914       107.1654 43.42388 4.360384 37.93903 11.02107 5.484848       11.85230 
1 1 1 23  9  13 o 153.4748 3.316807 2864.003       101.6884 2860.086       114.9964 2878.049       217.7635 153.5323 3.095865 153.4174 5.866894 0.1149139      6.633613 
1 1 1 23  9  14 o 66.31858 4.588100 571.3584       51.29116 583.9078       55.73630 501.9631       131.0662 69.29694 3.324465 63.34021 8.552812 5.956730       9.176200 
1 1 1 23  9  15 o 39.54628 6.257419 186.8742       42.03384 181.6789       44.93922 223.2005       118.8312 38.46772 4.828661 40.62484 11.54579 -2.157124      12.51484 
1 1 1 23  9  16 o 54.34462 5.056176 344.3698       48.68789 331.5190       52.76772 417.9655       126.2786 51.95452 4.198002 56.73472 9.199806 -4.780193      10.11235 
1 1 1 23  9  17 o 62.52917 5.679443 561.4918       55.70870 583.4258       60.65356 443.1886       140.8628 68.90604 3.638284 56.15229 10.76045 12.75375       11.35889 
1 1 1 23  9  18 o 78.67162 4.189982 777.4818       63.12231 768.0267       70.34923 816.5378       142.9787 78.79435 3.690302 78.54887 7.523662 0.2454758      8.379965 
1 1 1 23  9  19 o 18.66469 6.243039 -29.51949      55.07034 -24.66138      59.93197 -55.87150      139.5827 15.50417 7.098147 21.82521 10.27222 -6.321037      12.48608 
1 1 1 23  11 0  o 580.0047 7.268617 40838.51       1019.687 40319.89       1422.291 41386.98       1462.668 576.2338 10.20205 583.7756 10.35613 -7.541748      14.53723 
1 1 1 23  11 1  f 86.45244 2.614446 904.4244       54.61780 845.1768       76.48231 966.0834       78.02320 83.56263 3.783089 89.34225 3.609646 -5.779617      5.228891 
1 1 1 23  11 2  o 259.2142 3.617664 8129.563       226.7324 8365.104       327.8755 7913.702       313.8783 262.8064 5.156687 255.6221 5.075288 7.184311       7.235328 
1 1 1 23  11 3  o 490.9915 6.220602 29261.94       738.6179 29804.19       1063.650 28756.95       1026.469 495.3647 8.875056 486.6183 8.718769 8.746460       12.44120 
1 1 1 23  11 4  o 399.1119 5.156279 19325.53       497.8342 19124.88       697.7070 19533.63       710.5567 397.0066 7.263954 401.2172 7.320097 -4.210632      10.31256 
1 1 1 23  11 5  f 175.3877 2.856529 3723.354       121.1782 3649.641       169.0069 3801.342       173.8391 173.6028 4.023882 177.1726 4.055539 -3.569748      5.713058 
1 1 1 23  11 6  o 192.3102 2.988292 4469.092       138.8480 4278.578       190.3998 4685.483       202.9190 187.9455 4.187282 196.6749 4.264532 -8.729416      5.976584 
1 1 1 23  11 7  o 180.9076 2.896609 3955.637       126.6099 3798.570       173.6413 4133.936       185.0054 177.0844 4.052941 184.7309 4.139451 -7.646469      5.793219 
1 1 1 23  11 8  o 301.3030 4.069638 11001.86       296.3977 10696.08       408.8018 11340.76       430.3684 296.9051 5.691056 305.7008 5.818908 -8.795685      8.139276 
1 1 1 23  11 9  o 192.5932 3.002006 4495.649       139.8701 4490.405       196.5999 4501.024       199.0348 192.4816 4.221744 192.7049 4.269078 -0.2232819     6.004011 
1 1 1 23  11 10 o 116.3596 2.655735 1641.975       74.71887 1677.079       104.6317 1605.445       106.7366 117.6342 3.676441 115.0850 3.833471 2.549133       5.311470 
1 1 1 23  11 11 o 49.59890 5.799769 324.7042       53.42780 337.1647       60.10850 277.8108       116.6070 52.67919 4.716225 46.51861 10.59748 6.160580       11.59954 
1 1 1 23  11 12 o 104.9695 3.396693 1370.446       68.84061 1390.387       77.22449 1293.278       151.9163 107.0761 2.980987 102.8628 6.104410 4.213333       6.793386 
1 1 1 23  11 13 o 62.58939 4.949855 477.0608       50.88612 474.7119       54.63296 492.4450       139.8156 62.47429 3.614524 62.70450 9.216262 -0.2302094     9.899711 
1 1 1 23  11 14 o 32.98228 6.086674 173.2491       45.57956 199.0211       48.90408 2.797145       125.7686 40.26974 5.019540 25.69482 11.09029 14.57491       12.17335 
1 1 1 23  11 15 o 71.21098 4.896556 688.0253       56.67130 709.5600       61.38825 563.8311       147.4235 76.26514 3.327031 66.15681 9.210641 10.10832       9.793112 
1 1 1 23  11 16 o 26.59454 7.047150 35.89201       45.54150 14.33622       48.88465 177.5134       125.3012 17.33107 7.164176 35.85800 12.13770 -18.52693      14.09430 
1 1 1 23  11 17 o 99.70073 3.790779 1210.949       71.49692 1186.740       79.15153 1318.263       166.6490 98.27904 3.328865 101.1224 6.811659 -2.843391      7.581559 
1 1 1 23  11 18 o 20.50827 6.830120 -53.14709      53.82634 -70.56317      57.53463 69.04224       152.3950 13.09956 6.285343 27.91697 12.12834 -14.81741      13.66024 
1 1 1 23  11 19 o 30.84417 6.772801 178.1211       61.37807 205.9895       65.26355 -35.24093      180.5816 37.85917 7.390428 23.82917 11.35187 14.03000       13.54560 
1 1 1 23  13 0  o 119.8420 2.579381 1722.974       74.43034 1526.493       100.2280 1964.549       111.1359 112.2923 3.689240 127.3917 3.605876 -15.09940      5.158762 
1 1 1 23  13 1  o 108.5358 2.611283 1425.872       68.54530 1374.043       96.26057 1479.185       97.62930 106.5344 3.734705 110.5373 3.650642 -4.002861      5.222567 
1 1 1 23  13 2  o 317.4652 4.250240 12217.53       326.4223 12115.18       458.2492 12322.96       465.0885 316.1178 5.991705 318.8126 6.029728 -2.694794      8.500480 
1 1 1 23  13 3  o 146.1865 2.690694 2587.490       95.15932 2624.743       135.1288 2550.842       134.0291 147.2306 3.793564 145.1423 3.816831 2.088318       5.381388 
1 1 1 23  13 4  o 140.5110 2.664986 2390.266       90.58550 2435.796       129.1730 2346.208       127.0674 141.8275 3.764515 139.1945 3.773200 2.632950       5.329973 
1 1 1 23  13 5  o 264.5358 3.685459 8475.771       235.7233 8278.059       326.3624 8691.408       340.8345 261.3189 5.162107 267.7527 5.261472 -6.433807      7.370918 
1 1 1 23  13 6  o 382.9805 4.982252 17818.99       461.6411 17842.01       653.2706 17796.02       652.4483 383.2277 7.045859 382.7334 7.046078 0.4942932      9.964504 
1 1 1 23  13 7  o 135.5349 2.681306 2216.506       87.74950 2068.882       119.8123 2387.311       128.8759 130.6863 3.789387 140.3835 3.794491 -9.697159      5.362612 
1 1 1 23  13 8  o 130.2633 2.683806 2055.602       84.57191 2031.689       118.5149 2080.412       120.7211 129.4922 3.782918 131.0343 3.807991 -1.542114      5.367612 
1 1 1 23  13 9  o 264.0571 3.699109 8445.857       235.9533 8856.862       345.6482 8087.195       322.8899 270.0458 5.290474 258.0685 5.171509 11.97736       7.398217 
1 1 1 23  13 10 o 79.19839 2.818553 762.9699       53.84192 790.4488       74.16872 732.3555       78.28596 80.72096 3.797801 77.67581 4.165774 3.045151       5.637106 
1 1 1 23  13 11 o 108.1951 2.686871 1422.009       70.31340 1445.756       98.87086 1397.709       100.0153 109.1152 3.745248 107.2749 3.853598 1.840370       5.373742 
1 1 1 23  13 12 o 90.95735 2.761699 1007.153       60.74665 994.8287       86.89371 1018.933       84.95652 90.40349 3.972837 91.51122 3.837250 -1.107735      5.523398 
1 1 1 23  13 13 o 21.69756 5.820178 44.50793       43.73899 76.47047       46.92353 -167.2814      120.7875 24.60163 7.332479 18.79350 9.040611 5.808136       11.64036 
1 1 1 23  13 14 o 63.89416 5.144505 548.7346       55.48854 565.5482       60.52866 460.2023       138.8938 68.04757 3.676598 59.74074 9.609701 8.306828       10.28901 
1 1 1 23  13 15 o 14.54990 5.157585 -94.80470      43.47165 -80.14205      46.37389 -201.0708      124.8431 11.06141 5.387044 18.03839 8.796732 -6.976985      10.31517 
1 1 1 23  13 16 o 54.48241 5.404671 273.3234       52.97054 227.4521       56.64518 592.8614       149.5042 42.54434 5.503246 66.42049 9.303556 -23.87616      10.80934 
1 1 1 23  13 17 o 59.60167 6.963940 481.9037       60.28166 475.1989       63.94807 535.3956       180.6257 61.68420 4.285004 57.51915 13.25234 4.165054       13.92788 
1 1 1 23  13 18 o 64.79719 7.909371 697.1248       67.85287 707.7042       71.67657 605.8299       210.5573 74.99818 3.950246 54.59619 15.31758 20.40200       15.81874 
1 1 1 23  15 0  o 244.6638 3.511050 7243.536       207.6257 7483.839       301.9068 7027.898       285.9932 248.5033 5.021557 240.8242 4.908550 7.679077       7.022100 
1 1 1 23  15 1  o 240.4315 3.467138 7001.162       201.5962 7144.173       290.2630 6867.891       280.2032 242.7988 4.941319 238.0643 4.864929 4.734497       6.934275 
1 1 1 23  15 2  o 194.1518 3.054872 4564.254       143.4595 4453.942       200.2856 4680.479       205.5827 191.7441 4.317430 196.5595 4.323050 -4.815399      6.109743 
1 1 1 23  15 3  o 268.5914 3.742739 8740.310       243.0951 8952.643       350.4790 8543.450       337.4670 271.7283 5.331199 265.4545 5.254590 6.273743       7.485479 
1 1 1 23  15 4  o 108.8073 3.794333 1433.943       99.88396 0.000000       0.000000 1433.943       99.88396 ?        ?        108.8073 3.794333 ?              ?        
1 1 1 23  15 5  o 143.9039 2.753721 2507.552       95.84985 2563.682       137.3719 2454.301       133.8028 145.4720 3.903161 142.3358 3.885518 3.136200       5.507442 
1 1 1 23  15 6  o 262.6441 3.693002 8368.528       234.6626 8426.289       332.6756 8311.329       331.0565 263.5468 5.217481 261.7414 5.227901 1.805450       7.386004 
1 1 1 23  15 7  o 200.7781 4.399347 4888.275       213.7011 4888.275       213.7011 0.000000       0.000000 200.7781 4.399347 ?        ?        ?              ?        
1 1 1 23  15 8  o 214.2043 3.251355 5569.231       168.4909 5552.331       237.0476 5586.487       239.5363 213.8786 4.581059 214.5300 4.615098 -0.6514282     6.502710 
1 1 1 23  15 9  o 177.6114 2.941504 3829.884       126.3783 3822.948       177.0699 3837.085       180.4294 177.4530 4.124384 177.7698 4.195145 -0.3167572     5.883008 
1 1 1 23  15 10 o 219.9421 3.290948 5881.860       175.0123 6083.387       252.9163 5696.704       242.4265 223.5463 4.676350 216.3379 4.631750 7.208450       6.581896 
1 1 1 23  15 11 o 109.2537 2.758805 1453.117       72.90445 1489.408       103.0787 1416.792       103.1262 110.6275 3.851267 107.8800 3.951171 2.747543       5.517609 
1 1 1 23  15 12 o 96.08955 2.814599 1126.121       65.37797 1191.377       93.46909 1063.614       91.47982 98.82850 3.909161 93.35062 4.050474 5.477882       5.629199 
1 1 1 23  15 13 o 85.60225 2.969926 898.3196       61.33142 983.6932       87.27322 815.0173       86.20805 89.66804 4.022917 81.53646 4.370123 8.131577       5.939851 
1 1 1 23  15 14 o 38.26696 5.178785 188.8616       46.74023 231.0547       67.77390 150.5925       64.54556 42.86785 6.534743 33.66607 8.035944 9.201775       10.35757 
1 1 1 23  15 15 o 34.34425 7.277500 90.29715       49.52324 57.13913       52.95073 321.8322       139.9220 22.06833 7.865287 46.62018 12.24685 -24.55185      14.55500 
1 1 1 23  15 16 f 63.68498 6.734795 633.4479       62.93827 661.0367       67.93673 466.3890       167.1756 73.04109 3.844458 54.32888 12.90930 18.71222       13.46959 
1 1 1 23  15 17 o 37.51843 8.102485 212.6786       63.29747 206.6731       67.34527 258.1797       185.3707 38.42591 7.513271 36.61095 14.35799 1.814953       16.20497 
1 1 1 23  17 0  o 73.40541 3.214748 654.2241       56.98455 618.0092       81.43414 688.9725       79.76833 71.40613 4.713774 75.40469 4.372500 -3.998558      6.429496 
1 1 1 23  17 1  o 146.2063 2.771539 2584.208       97.89827 2686.209       143.1595 2494.609       134.1750 148.9078 3.973747 143.5047 3.864588 5.403168       5.543077 
1 1 1 23  17 2  o 237.4044 3.472170 6826.975       199.3073 7020.701       288.1334 6649.241       275.9849 240.6262 4.949353 234.1827 4.871115 6.443512       6.944340 
1 1 1 23  17 3  o 290.1744 3.986860 10213.79       279.8017 10398.84       402.0056 10039.91       389.6807 292.7161 5.676534 287.6327 5.599747 5.083405       7.973720 
1 1 1 23  17 4  o 303.1241 4.135059 11127.91       302.6936 10695.13       413.0915 11629.71       444.8134 296.7950 5.752905 309.4531 5.941290 -12.65805      8.270118 
1 1 1 23  17 5  o 264.8409 3.735102 8510.488       239.2485 8690.962       343.7438 8340.918       333.1995 267.5577 5.310251 262.1240 5.254063 5.433685       7.470204 
1 1 1 23  17 6  o 261.4657 3.701333 8301.851       234.0690 8175.615       326.2047 8435.832       336.0627 259.4255 5.197269 263.5059 5.271420 -4.080353      7.402667 
1 1 1 23  17 7  o 144.1012 2.817362 2516.402       98.15588 2423.992       135.8428 2617.361       141.9878 141.3378 3.972610 146.8645 3.996060 -5.526611      5.634725 
1 1 1 23  17 8  o 51.24189 3.904111 319.3990       48.35052 301.7410       66.77846 338.8564       70.09821 49.75436 5.547572 52.72942 5.494796 -2.975063      7.808222 
1 1 1 23  17 9  o 68.54007 3.282454 572.3483       54.33965 571.6795       74.70164 573.0998       79.19038 68.51170 4.506747 68.56844 4.773598 -0.5674744E-01 6.564907 
1 1 1 23  17 10 o 57.92234 3.753687 409.6378       52.36571 467.2856       76.28873 358.2764       72.00903 61.79068 5.103112 54.05400 5.506261 7.736683       7.507374 
1 1 1 23  17 11 o 97.09766 2.887642 1148.612       67.69962 1108.201       92.29639 1195.675       99.60412 95.27160 4.004230 98.92371 4.161737 -3.652107      5.775284 
1 1 1 23  17 12 o 93.49397 2.976931 1071.077       67.33446 1058.581       95.09580 1083.642       95.35533 92.94165 4.229107 94.04629 4.190839 -1.104637      5.953863 
1 1 1 23  17 13 o 27.42538 6.185746 91.48203       47.57727 56.37045       63.67927 135.8474       71.58054 23.02001 8.560761 31.83075 8.931248 -8.810736      12.37149 
1 1 1 23  17 14 o 85.40627 3.080503 901.8808       63.56429 838.0072       88.46731 970.0458       91.39091 82.24336 4.446105 88.56916 4.264992 -6.325798      6.161006 
1 1 1 23  17 15 o 31.21302 6.458270 136.6580       52.18157 114.8359       71.77011 161.1304       76.00349 28.73910 9.159263 33.68694 9.107409 -4.947836      12.91654 
1 1 1 23  17 16 o 57.62605 7.176231 442.9393       64.72188 424.3364       69.12215 575.2528       184.3440 57.65823 4.955113 57.59388 13.46997 0.6435394E-01  14.35246 
1 1 1 23  17 17 o 27.66621 8.199507 92.37254       64.95002 73.34087       69.05856 238.1916       191.1553 22.94115 8.827808 32.39126 13.82018 -9.450108      16.39901 
1 1 1 23  19 0  o 133.8836 2.852519 2172.067       92.38631 2131.490       129.5727 2214.026       131.7628 132.6118 4.038586 135.1555 4.029552 -2.543701      5.705039 
1 1 1 23  19 1  o 192.4728 3.121345 4490.321       145.3165 4607.359       208.0321 4378.794       203.0748 194.9213 4.411320 190.0243 4.417175 4.897018       6.242690 
1 1 1 23  19 2  o 37.37244 5.791351 178.5647       50.87198 157.1701       74.67938 197.0884       69.48846 35.17806 8.797416 39.56681 7.534219 -4.388748      11.58270 
1 1 1 23  19 3  o 227.4274 3.397688 6277.112       186.9214 6405.569       267.1607 6153.928       261.6200 229.7056 4.807272 225.1492 4.802841 4.556412       6.795377 
1 1 1 23  19 4  o 17.43115 5.466102 -22.83724      45.99374 -33.67844      66.39072 -12.83258      63.77787 16.98818 7.655404 17.87412 7.804348 -0.8859406     10.93220 
1 1 1 23  19 5  o 148.1502 2.842490 2654.196       101.6750 2893.664       148.7144 2444.013       139.3247 154.4063 3.980941 141.8941 4.058462 12.51219       5.684981 
1 1 1 23  19 6  o 76.35135 3.183540 710.8470       58.57919 779.8896       82.64391 641.1334       83.04452 80.10811 4.264146 72.59459 4.728293 7.513519       6.367079 
1 1 1 23  19 7  o 37.64861 7.239603 191.3198       63.44431 208.3642       73.12742 139.4408       127.5807 40.46546 7.751767 34.83176 12.22937 5.633701       14.47921 
1 1 1 23  19 8  o 116.7436 2.853977 1657.986       80.55632 1607.285       111.4768 1713.396       116.5394 114.8828 4.010764 118.6044 4.061345 -3.721558      5.707955 
1 1 1 23  19 9  o 121.7883 2.846455 1809.530       83.77836 1923.719       119.4001 1698.792       117.5819 125.5972 3.929365 117.9794 4.119381 7.617805       5.692909 
1 1 1 23  19 10 o 77.73790 3.304653 741.9433       62.09974 764.1702       86.98688 718.8416       88.68224 78.95352 4.553863 76.52229 4.790121 2.431236       6.609305 
1 1 1 23  19 11 o 40.91985 5.339139 215.0110       51.66916 193.8151       72.24552 237.2045       73.92591 38.40898 8.032857 43.43071 7.035540 -5.021729      10.67828 
1 1 1 23  19 12 o 36.01583 5.837473 175.0444       53.08114 253.2370       74.24941 93.30568       75.91442 44.69851 6.865903 27.33315 9.442656 17.36536       11.67495 
1 1 1 23  19 13 o 51.34746 4.716993 338.0169       57.68880 268.0414       80.07214 413.5398       83.18548 45.54594 7.266569 57.14898 6.016400 -11.60304      9.433987 
1 1 1 23  19 14 o 110.8542 3.086251 1534.177       82.76923 1515.686       116.7762 1552.844       117.3325 110.1700 4.381155 111.5385 4.348018 -1.368546      6.172502 
1 1 1 23  19 15 o 21.58097 6.474876 32.06648       59.16838 49.36893       82.49350 13.73446       84.91239 22.61897 9.324197 20.54298 8.986403 2.075989       12.94975 
1 1 1 23  19 16 o 62.93080 4.388000 534.5016       66.47692 471.2478       89.73351 611.4453       98.96861 58.71230 6.317181 67.14930 6.091914 -8.437000      8.776000 
1 1 1 23  21 0  o 275.2821 3.865064 9166.112       256.3698 9851.298       384.3085 8616.698       344.1327 284.4570 5.584202 266.1072 5.345237 18.34973       7.730127 
1 1 1 23  21 1  o 115.1629 2.870048 1610.377       79.94499 1623.497       112.0650 1596.782       114.0805 115.6460 4.005319 114.6798 4.111705 0.9662094      5.740096 
1 1 1 23  21 2  o 127.8422 2.842670 1976.859       87.75040 1849.811       119.7597 2124.141       128.9443 123.4255 4.010545 132.2590 4.029719 -8.833427      5.685341 
1 1 1 23  21 3  o 99.20724 2.941142 1194.121       70.52028 1122.807       97.69967 1271.690       101.8940 96.11541 4.201436 102.2991 4.116940 -6.183655      5.882284 
1 1 1 23  21 4  o 66.49234 3.458165 539.6592       55.54287 517.0418       79.65586 561.0623       77.48794 65.11729 5.056140 67.86740 4.719223 -2.750114      6.916330 
1 1 1 23  21 5  o 31.50186 6.109519 125.6977       47.89533 145.9554       71.76765 109.4303       64.31239 33.63849 8.739308 29.36524 8.539870 4.273252       12.21904 
1 1 1 23  21 6  o 68.11386 3.409178 564.5226       56.01822 627.9086       82.11720 509.3501       76.61242 71.68646 4.734724 64.54126 4.906360 7.145203       6.818356 
1 1 1 23  21 7  o 51.04120 4.705991 323.1713       57.90937 315.3104       84.89454 330.0120       79.19466 50.40399 6.961657 51.67841 6.334093 -1.274426      9.411982 
1 1 1 23  21 8  o 76.94247 3.635460 734.4781       67.02869 636.6422       96.54321 825.5273       93.13444 71.84632 5.554116 82.03864 4.692341 -10.19231      7.270919 
1 1 1 23  21 9  o 65.73180 3.792406 533.6138       60.28521 515.7007       83.89597 552.7375       86.68472 64.59077 5.368690 66.87284 5.357849 -2.282074      7.584812 
1 1 1 23  21 10 o 107.8162 3.028087 1429.798       78.97874 1407.041       110.7710 1453.329       112.6380 106.9443 4.281206 108.6881 4.283518 -1.743881      6.056175 
1 1 1 23  21 11 o 56.35526 4.405530 401.6712       60.00420 415.5948       84.09578 387.2306       85.64288 57.41827 6.053712 55.29224 6.402135 2.126034       8.811060 
1 1 1 23  21 12 o 17.96324 5.788333 -38.43475      56.51426 -75.60159      83.29869 -6.736017      76.92744 16.71060 7.886367 19.21589 8.474929 -2.505289      11.57667 
1 1 1 23  21 13 o 41.82330 6.265884 249.7208       63.30897 160.9860       88.54449 342.5293       90.55414 32.93696 10.12749 50.70964 7.381005 -17.77268      12.53177 
1 1 1 23  21 14 o 57.02209 4.851725 445.9010       65.07189 477.3500       85.24208 401.9787       100.7379 60.29404 5.843558 53.75013 7.746597 6.543903       9.703450 
1 1 1 23  23 0  o 225.1632 4.816451 6187.738       262.3776 6187.738       262.3776 0.000000       0.000000 225.1632 4.816451 ?        ?        ?              ?        
1 1 1 23  23 1  o 91.30696 3.146362 1012.466       69.20058 1154.981       101.1588 887.1141       94.87219 97.34632 4.295186 85.26759 4.598886 12.07873       6.292724 
1 1 1 23  23 2  o 26.91851 6.306810 85.12054       50.23997 41.42480       75.10819 120.5020       67.58578 23.19871 9.126162 30.63831 8.707273 -7.439598      12.61362 
1 1 1 23  23 3  o 115.9017 2.907112 1638.405       81.51707 1631.108       115.3659 1645.680       115.1994 115.6412 4.123470 116.1622 4.099047 -0.5210648     5.814223 
1 1 1 23  23 4  o 47.42291 4.670687 283.1164       52.50970 248.8253       79.49102 309.6638       69.94198 44.70174 7.350068 50.14408 5.765221 -5.442337      9.341373 
1 1 1 23  23 5  o 57.08818 4.061011 402.4746       55.90121 398.2538       82.23434 406.1006       76.22025 56.76065 5.988300 57.41571 5.487030 -0.6550636     8.122022 
1 1 1 23  23 6  o 90.36597 3.140731 1001.876       68.49171 992.7067       100.2245 1009.911       93.81656 89.93189 4.606359 90.80003 4.270622 -0.8681412     6.281461 
1 1 1 23  23 7  o 45.37269 5.536674 264.4043       58.94032 314.3165       85.63643 219.4796       81.24522 49.98203 7.081778 40.76334 8.512784 9.218693       11.07335 
1 1 1 23  23 8  o 108.4216 3.135513 1449.487       82.18184 1501.391       115.5394 1396.336       116.9182 110.4361 4.324312 106.4072 4.541596 4.028816       6.271027 
1 1 1 23  23 9  o 34.48580 5.863422 148.4232       57.15276 32.42029       78.21614 281.3144       83.71630 22.17138 9.102341 46.80023 7.393665 -24.62885      11.72684 
1 1 1 23  23 10 o 24.40316 6.751911 58.36576       59.03755 84.88734       81.06435 28.41135       86.15103 26.38038 9.686407 22.42595 9.408864 3.954430       13.50382 
1 1 1 23  23 11 f 73.67278 4.140372 699.4566       73.15769 750.3568       99.88945 640.5657       107.4444 76.90622 5.368536 70.43934 6.304723 6.466881       8.280744 
1 1 1 23  23 12 o 34.24493 7.112055 180.8528       62.99320 193.0163       83.67034 164.9368       95.71035 35.90125 9.489302 32.58863 10.59615 3.312618       14.22411 
1 1 1 23  23 13 o 32.39960 7.283962 173.0908       64.16187 160.8967       88.04922 186.8974       93.69046 31.31899 10.16224 33.48021 10.43806 -2.161217      14.56792 
1 1 1 23  25 0  o 61.53473 4.110520 465.5128       60.67084 486.7628       92.86456 449.6880       80.13831 62.68143 6.123628 60.38802 5.485132 2.293419       8.221040 
1 1 1 23  25 1  o 40.20653 5.621914 190.9677       53.66152 347.8026       87.25323 95.56078       68.05345 52.80191 6.830140 27.61116 8.931566 25.19075       11.24383 
1 1 1 23  25 2  o 59.00217 4.169972 424.6018       58.86192 477.6722       91.96210 387.7702       76.61131 62.01831 6.128958 55.98604 5.656018 6.032269       8.339944 
1 1 1 23  25 3  o 77.44254 3.558693 735.7004       66.34638 776.8324       99.86951 703.2068       88.76497 79.31901 5.204193 75.56606 4.855260 3.752953       7.117385 
1 1 1 23  25 4  o 34.37209 6.034960 162.1341       55.77555 63.10335       85.26392 236.2081       73.74174 25.44750 9.804338 43.29668 7.039739 -17.84917      12.06992 
1 1 1 23  25 5  o 31.85496 6.614008 125.2599       54.73539 192.9357       88.22953 82.91790       69.78838 37.62738 9.646567 26.08253 9.051197 11.54486       13.22802 
1 1 1 23  25 6  o 77.35843 3.594109 733.6008       66.54556 902.9354       100.1906 599.9310       89.01656 85.32854 4.853222 69.38831 5.302518 15.94023       7.188217 
1 1 1 23  25 7  o 67.58154 3.902239 575.3090       63.50240 520.1742       90.64617 628.4460       88.98868 64.24747 5.831645 70.91560 5.186694 -6.668137      7.804479 
1 1 1 23  25 8  f 31.50923 7.972650 137.3009       78.99715 85.63950       127.7279 169.3040       100.5308 28.77162 11.70097 34.24683 10.83235 -5.475210      15.94530 
1 1 1 23  25 9  o 40.11083 6.266942 238.3505       63.39199 345.2326       86.57348 114.8009       93.07928 51.31319 6.973543 28.90846 10.41479 22.40473       12.53388 
1 1 1 23  25 10 o 25.83916 7.816688 59.99611       86.22204 55.77632       133.2706 63.03391       113.0757 26.17592 11.35686 25.50241 10.74357 0.6735134      15.63338 
1 1 1 23  25 11 o 25.79285 8.041828 59.75386       93.20019 108.1856       159.2566 34.52707       114.9379 28.27788 12.34009 23.30781 10.31533 4.970072       16.08366 
1 1 1 23  27 0  o 116.1498 3.088442 1656.710       86.59174 1784.119       127.6924 1548.239       117.8208 120.2549 4.388945 112.0447 4.346385 8.210144       6.176885 
1 1 1 23  27 1  o 68.45417 3.961069 582.9002       65.33743 619.1239       97.83392 553.7369       87.78319 70.30329 5.751902 66.60505 5.447559 3.698242       7.922138 
1 1 1 23  27 2  o 21.94143 5.993069 10.37065       56.17169 -124.4176      87.79720 103.7779       73.08782 15.73745 7.604591 28.14541 9.264864 -12.40796      11.98614 
1 1 1 23  27 3  f 52.12290 4.757526 340.2610       59.40178 411.4568       91.06710 287.5353       78.36925 56.82149 6.624400 47.42432 6.830339 9.397175       9.515052 
1 1 1 23  27 4  o 74.19652 4.999024 691.0359       84.39114 768.7092       149.6940 654.8483       102.1758 76.45017 8.093262 71.94286 5.870272 4.507309       9.998049 
1 1 1 23  27 5  o 33.95415 7.836858 154.4396       70.23360 216.0619       124.6233 125.7585       85.02135 37.79202 12.07212 30.11628 9.996462 7.675735       15.67372 
1 1 1 24  0  0  o 158.8599 2.594572 3057.971       140.8555 3057.971       140.8555 3057.971       140.8555 158.8599 3.669278 158.8599 3.669278 0.000000       0.000000 
1 1 1 24  0  1  o 27.29038 3.740816 99.61806       31.15584 99.61806       31.15584 99.61806       31.15584 27.29038 5.290312 27.29038 5.290312 0.000000       0.000000 
1 1 1 24  0  2  o 906.1116 11.14821 99580.05       3453.882 99580.05       3453.882 99580.05       3453.882 906.1116 15.76594 906.1116 15.76594 0.000000       0.000000 
1 1 1 24  0  3  o 80.99640 2.223253 797.2454       61.40211 797.2454       61.40211 797.2454       61.40211 80.99640 3.144155 80.99640 3.144155 0.000000       0.000000 
1 1 1 24  0  4  o 424.8801 7.681693 21903.63       1115.061 21903.63       1115.061 21903.63       1115.061 424.8801 10.86355 424.8801 10.86355 0.000000       0.000000 
1 1 1 24  0  5  o 272.6586 3.715589 9006.213       346.3381 9006.213       346.3381 9006.213       346.3381 272.6586 5.254636 272.6586 5.254636 0.000000       0.000000 
1 1 1 24  0  6  o 222.7508 3.196360 6011.892       243.3820 6011.892       243.3820 6011.892       243.3820 222.7508 4.520335 222.7508 4.520335 0.000000       0.000000 
1 1 1 24  0  7  o 554.6337 6.952029 37336.83       1318.340 37336.83       1318.340 37336.83       1318.340 554.6337 9.831654 554.6337 9.831654 0.000000       0.000000 
1 1 1 24  0  8  o 223.8151 3.205974 6070.998       245.2812 6070.998       245.2812 6070.998       245.2812 223.8151 4.533932 223.8151 4.533932 0.000000       0.000000 
1 1 1 24  0  9  o 228.0866 3.256913 6305.809       253.9355 6305.809       253.9355 6305.809       253.9355 228.0866 4.605971 228.0866 4.605971 0.000000       0.000000 
1 1 1 24  0  10 o 21.10465 5.950100 74.64132       41.57753 74.64132       41.57753 74.64132       41.57753 21.10465 8.414712 21.10465 8.414712 0.000000       0.000000 
1 1 1 24  0  11 o 145.2511 2.542944 2558.522       126.2036 2558.522       126.2036 2558.522       126.2036 145.2511 3.596267 145.2511 3.596267 0.000000       0.000000 
1 1 1 24  0  12 o 293.7742 3.967271 10472.84       398.4422 10472.84       398.4422 10472.84       398.4422 293.7742 5.610568 293.7742 5.610568 0.000000       0.000000 
1 1 1 24  0  13 o 34.40987 4.871277 159.8196       50.87790 159.8196       50.87790 159.8196       50.87790 34.40987 6.889026 34.40987 6.889026 0.000000       0.000000 
1 1 1 24  0  14 o 16.31994 6.278523 45.93155       49.54266 45.93155       49.54266 45.93155       49.54266 16.31994 8.879173 16.31994 8.879173 0.000000       0.000000 
1 1 1 24  0  15 o 67.41738 2.929029 558.1350       66.97923 558.1350       66.97923 558.1350       66.97923 67.41738 4.142272 67.41738 4.142272 0.000000       0.000000 
1 1 1 24  0  16 f 25.11909 6.958065 106.9160       57.23734 106.9160       57.23734 106.9160       57.23734 25.11909 9.840190 25.11909 9.840190 0.000000       0.000000 
1 1 1 24  0  17 o 83.52474 2.809916 855.4710       79.88764 855.4710       79.88764 855.4710       79.88764 83.52474 3.973822 83.52474 3.973822 0.000000       0.000000 
1 1 1 24  0  18 o 23.07464 7.496354 99.13762       64.81991 99.13762       64.81991 99.13762       64.81991 23.07464 10.60145 23.07464 10.60145 0.000000       0.000000 
1 1 1 24  0  19 o 21.25653 7.894282 89.52769       75.95006 89.52769       75.95006 89.52769       75.95006 21.25653 11.16420 21.25653 11.16420 0.000000       0.000000 
1 1 1 24  0  20 o 42.64476 6.248299 264.1723       80.44350 264.1723       80.44350 264.1723       80.44350 42.64476 8.836430 42.64476 8.836430 0.000000       0.000000 
1 1 1 24  2  0  o 677.1790 9.763237 54957.31       1361.144 54377.48       1554.863 56859.01       2815.887 670.0591 9.591286 684.2990 17.00854 -14.23987      19.52647 
1 1 1 24  2  1  o 159.5235 3.157339 3135.993       116.6945 3293.464       147.4570 2872.100       190.8878 164.9875 3.694127 154.0595 5.121385 10.92807       6.314678 
1 1 1 24  2  2  o 312.8884 4.754116 12009.04       317.4566 12193.11       371.6370 11512.20       610.5807 317.4311 4.839128 308.3458 8.184700 9.085297       9.508232 
1 1 1 24  2  3  f 662.2207 10.02772 53597.93       1533.739 54536.32       1913.056 51909.58       2566.079 670.7125 11.78933 653.7289 16.22445 16.98358       20.05545 
1 1 1 24  2  4  o 499.4135 7.928160 27935.53       819.6185 26016.34       927.3070 34788.82       1752.320 463.4607 8.270054 535.3663 13.52882 -71.90561      15.85632 
1 1 1 24  2  5  o 309.7242 4.821210 11154.91       297.5796 10821.12       333.8648 12444.97       656.3591 299.0049 4.615195 320.4436 8.466182 -21.43878      9.642420 
1 1 1 24  2  6  o 545.8046 7.885858 36476.08       911.9982 36766.93       1061.700 35657.35       1781.319 550.6274 7.969697 540.9818 13.60996 9.645691       15.77172 
1 1 1 24  2  7  o 185.8570 3.269275 4339.025       131.4585 4553.160       156.6279 3828.674       241.8017 193.9529 3.337878 177.7611 5.622384 16.19188       6.538549 
1 1 1 24  2  8  o 259.9773 4.173452 7915.316       218.3504 7703.037       246.0937 8700.773       473.3783 252.2156 4.032982 267.7390 7.307931 -15.52339      8.346904 
1 1 1 24  2  9  o 365.2307 5.408640 16659.55       431.4731 17314.59       515.8469 15133.85       787.2676 377.8797 5.642415 352.5816 9.229122 25.29807       10.81728 
1 1 1 24  2  10 o 151.1508 2.984871 2817.196       95.38812 2871.466       111.2236 2666.270       185.4807 154.0101 2.985007 148.2916 5.169870 5.718430       5.969743 
1 1 1 24  2  11 o 142.5920 2.998431 2521.125       89.81846 2582.249       104.5257 2348.602       175.6052 146.0392 2.958363 139.1449 5.216363 6.894287       5.996862 
1 1 1 24  2  12 o 265.6969 4.258795 8577.387       236.1621 8573.590       272.2232 8588.936       474.8095 265.9037 4.231539 265.4901 7.392118 0.4136963      8.517590 
1 1 1 24  2  13 o 247.6632 4.049569 7534.465       211.3530 7604.462       245.4520 7333.729       415.6600 250.3124 4.053050 245.0141 7.012049 5.298355       8.099138 
1 1 1 24  2  14 o 88.93295 3.297857 1028.563       57.58461 1082.043       65.66806 850.5651       119.8020 94.45867 2.873492 83.40722 5.936876 11.05145       6.595715 
1 1 1 24  2  15 o 61.46970 3.056874 461.8193       45.28669 412.8448       63.68137 511.9288       64.41502 58.14149 4.527140 64.79792 4.108883 -6.656429      6.113749 
1 1 1 24  2  16 o 50.74541 3.464649 316.5418       42.50016 331.3618       60.10676 301.7242       60.10185 51.95241 4.782063 49.53843 5.014681 2.413982       6.929297 
1 1 1 24  2  17 o 22.13628 5.448798 40.41423       41.70530 -24.74060      59.17482 104.7189       58.78749 16.05262 7.231207 28.21995 8.152745 -12.16733      10.89760 
1 1 1 24  2  18 o 75.75063 3.140381 711.1645       57.48300 665.1760       80.50922 758.9891       82.10062 73.20953 4.545438 78.29173 4.334392 -5.082207      6.280761 
1 1 1 24  2  19 o 32.96708 6.489619 156.3518       53.93703 176.4532       77.00086 136.9874       75.57604 35.07289 9.022731 30.86127 9.330109 4.211618       12.97924 
1 1 1 24  2  20 o 14.60003 7.038895 -85.48092      74.18691 0.000000       0.000000 -85.48092      74.18691 ?        ?        14.60003 7.038895 ?              ?        
1 1 1 24  4  0  o 418.6824 6.112684 21599.23       550.9595 22063.96       649.3359 20404.52       1041.117 426.9637 6.286025 410.4011 10.48549 16.56268       12.22537 
1 1 1 24  4  1  o 277.3875 4.290398 9563.078       258.5710 9906.947       307.6884 8736.467       477.0516 286.1368 4.444625 268.6383 7.339984 17.49847       8.580796 
1 1 1 24  4  2  o 437.2427 7.867045 23128.09       831.0559 23938.13       1214.684 22415.23       1139.497 444.4146 11.29725 430.0709 10.95143 14.34366       15.73409 
1 1 1 24  4  3  o 578.6138 8.387549 40275.79       1006.007 39976.52       1153.675 41225.46       2055.161 574.5229 8.299916 582.7046 14.57791 -8.181702      16.77510 
1 1 1 24  4  4  o 405.9269 6.020295 19884.88       508.8402 19809.28       585.2602 20118.98       1029.908 404.5123 5.980189 407.3415 10.45051 -2.829224      12.04059 
1 1 1 24  4  5  o 181.0617 3.480704 3749.395       136.9266 3497.529       159.0672 4469.958       269.0495 169.9973 3.867552 192.1261 5.788198 -22.12880      6.961408 
1 1 1 24  4  6  o 227.7676 3.782310 6165.887       176.1691 6066.508       200.3626 6504.462       369.8252 223.8735 3.699233 231.6617 6.598420 -7.788254      7.564620 
1 1 1 24  4  7  o 154.0144 3.007416 2939.577       97.75489 3013.834       114.0579 2734.087       189.7376 157.8034 2.987492 150.2254 5.220449 7.578064       6.014832 
1 1 1 24  4  8  o 60.50299 3.030768 441.5193       36.63559 440.1015       41.39897 446.6389       78.66681 60.30083 2.837683 60.70516 5.356285 -0.4043274     6.061537 
1 1 1 24  4  9  o 68.77751 3.067096 567.5748       41.20016 563.8137       46.13389 582.3914       91.56711 68.24953 2.793947 69.30548 5.460968 -1.055946      6.134192 
1 1 1 24  4  10 o 134.2604 2.948062 2243.962       82.46865 2305.671       95.66589 2065.437       162.7160 138.0076 2.865179 130.5132 5.153158 7.494385       5.896125 
1 1 1 24  4  11 o 204.9199 3.561327 5097.848       152.1253 5102.035       175.2820 5085.068       306.2359 205.2321 3.530123 204.6078 6.186310 0.6243286      7.122654 
1 1 1 24  4  12 o 83.22173 3.283947 850.2889       52.65327 856.8651       58.90594 824.1523       117.4353 84.11138 2.894690 82.33208 5.895591 1.779297       6.567893 
1 1 1 24  4  13 o 137.3380 3.085512 2266.671       85.59187 2247.044       97.02839 2335.515       181.7230 136.1647 2.945317 138.5112 5.422790 -2.346497      6.171024 
1 1 1 24  4  14 o 143.3683 3.165616 2518.091       92.51870 2531.298       105.6690 2474.718       191.5013 144.4364 3.023907 142.3003 5.562418 2.136154       6.331233 
1 1 1 24  4  15 o 81.73578 3.289698 768.3387       52.54033 736.8820       58.41798 901.4872       120.1870 77.86153 3.101140 85.61002 5.802704 -7.748482      6.579395 
1 1 1 24  4  16 o 58.10041 4.002618 395.0094       46.76271 378.2117       52.56244 458.7746       102.4099 55.62476 3.905756 60.57606 6.987767 -4.951302      8.005237 
1 1 1 24  4  17 o 91.40622 3.549858 1024.468       62.57405 1017.600       69.85713 1052.350       140.7513 91.28419 3.163100 91.52826 6.356159 -0.2440720     7.099716 
1 1 1 24  4  18 f 34.73351 5.819302 164.5148       48.15918 159.1996       67.90150 169.8949       68.31512 34.13148 8.302399 35.33553 8.156426 -1.204048      11.63860 
1 1 1 24  4  19 o 69.01720 3.761118 606.6360       62.53456 682.5187       90.07948 536.0454       86.88163 73.33653 5.076954 64.69785 5.550547 8.638680       7.522236 
1 1 1 24  4  20 o 23.36291 9.094508 72.63976       73.95158 0.000000       0.000000 72.63976       73.95158 ?        ?        23.36291 9.094508 ?              ?        
1 1 1 24  6  1  o 738.1227 9.135618 65965.93       1629.169 64041.62       2234.315 68150.50       2380.623 726.6799 12.70864 749.5656 13.12740 -22.88568      18.27124 
1 1 1 24  6  2  o 573.4921 7.166146 39814.83       993.4341 38861.83       1370.954 40868.52       1441.559 566.2872 10.00654 580.6970 10.26079 -14.40979      14.33229 
1 1 1 24  6  3  o 242.8389 3.413275 7134.264       200.4833 7257.411       287.5722 7017.811       279.6464 244.8763 4.853978 240.8015 4.800072 4.074844       6.826550 
1 1 1 24  6  4  o 345.4020 5.277812 14147.78       370.7778 13895.87       420.5644 15026.77       785.6110 338.7960 5.130882 352.0080 9.224710 -13.21204      10.55562 
1 1 1 24  6  5  o 53.80725 3.541411 337.9083       36.62023 330.1133       40.62685 371.6835       84.56763 52.22819 3.215184 55.38631 6.311018 -3.158119      7.082822 
1 1 1 24  6  6  o 316.6232 4.893450 11972.85       317.5832 11814.37       361.8387 12504.46       662.7032 312.3310 4.788480 320.9154 8.535447 -8.584381      9.786900 
1 1 1 24  6  7  o 59.86218 3.412368 438.2292       39.15442 440.9036       43.70877 427.3647       88.09580 60.35534 2.993303 59.36903 6.133282 0.9863091      6.824735 
1 1 1 24  6  8  o 195.2883 3.421809 4752.346       142.9676 4913.390       168.4696 4337.894       270.2631 201.4494 3.456633 189.1271 5.906506 12.32234       6.843619 
1 1 1 24  6  9  f 59.10368 3.205536 353.8484       36.76044 314.6530       40.29839 548.1261       89.71838 50.97851 3.267370 67.22885 5.515990 -16.25034      6.411072 
1 1 1 24  6  10 o 168.3973 3.220841 3475.834       113.0273 3514.167       130.5495 3361.095       225.8635 170.3590 3.167436 166.4356 5.609155 3.923340       6.441682 
1 1 1 24  6  11 o 89.59016 3.139778 991.8877       56.07221 1006.692       63.60731 940.2737       118.7682 91.17945 2.883419 88.00086 5.578416 3.178589       6.279557 
1 1 1 24  6  12 o 257.8539 4.192144 8130.283       225.8310 8169.398       260.8090 8013.087       451.4451 259.4902 4.154314 256.2177 7.282717 3.272430       8.384289 
1 1 1 24  6  13 o 123.2365 3.053876 1828.400       75.20787 1815.229       84.92776 1876.264       161.8968 122.3746 2.868508 124.0984 5.392245 -1.723824      6.107753 
1 1 1 24  6  14 o 88.61865 3.554300 970.5594       57.98440 976.9133       64.00326 941.4634       136.9614 89.71601 2.948695 87.52129 6.468182 2.194725       7.108599 
1 1 1 24  6  15 o 22.21781 6.243594 42.37424       39.91349 49.77289       42.88263 -5.571684      109.1644 20.77503 7.100342 23.66060 10.27205 -2.885574      12.48719 
1 1 1 24  6  16 o 84.87242 3.656638 897.5391       58.26276 902.8859       64.69720 874.5984       134.0106 86.08189 3.106501 83.66295 6.620698 2.418938       7.313275 
1 1 1 24  6  17 o 58.22449 4.836883 398.5919       52.12813 381.9697       57.08796 481.9750       127.8615 55.67438 4.238253 60.77461 8.695916 -5.100231      9.673766 
1 1 1 24  6  18 o 32.43536 7.090955 112.2105       50.27885 86.19436       55.44112 232.7186       119.3214 25.45641 8.043507 39.41433 11.68027 -13.95792      14.18191 
1 1 1 24  6  19 o 22.41866 6.550241 48.13108       54.67821 71.27052       59.95717 -66.18679      133.2667 23.37226 8.365290 21.46506 10.08189 1.907204       13.10048 
1 1 1 24  8  0  o 264.6658 3.649743 8477.714       233.7011 8461.457       329.9561 8494.079       331.0533 264.4113 5.157911 264.9203 5.165119 -0.5090027     7.299487 
1 1 1 24  8  1  o 265.0366 3.656537 8486.291       234.1674 8206.104       321.4476 8803.109       341.8155 260.3858 5.102589 269.6874 5.238763 -9.301544      7.313074 
1 1 1 24  8  2  o 646.0857 8.042030 50547.40       1254.801 48887.57       1713.806 52465.37       1842.263 634.7177 11.16037 657.4537 11.58202 -22.73608      16.08406 
1 1 1 24  8  3  o 317.4507 4.219657 12175.95       323.5458 12687.04       474.4630 11731.71       442.3488 323.6572 6.059192 311.2442 5.874369 12.41299       8.439314 
1 1 1 24  8  4  o 154.1548 2.645740 2875.681       98.65831 2842.358       138.0011 2910.516       141.0983 153.2420 3.722222 155.0676 3.760959 -1.825531      5.291479 
1 1 1 24  8  5  o 271.6013 3.723398 8917.188       244.3195 9280.849       357.3091 8597.853       334.8257 276.7858 5.335780 266.4167 5.194635 10.36914       7.446797 
1 1 1 24  8  6  o 290.6797 3.926366 10239.73       276.1197 10180.67       388.8452 10299.80       392.1603 289.8351 5.545280 291.5244 5.560149 -1.689362      7.852731 
1 1 1 24  8  7  o 102.5087 2.372457 1271.919       58.83294 1294.560       83.81989 1249.934       82.59824 103.4078 3.350359 101.6097 3.359955 1.798172       4.744914 
1 1 1 24  8  8  o 216.1212 3.682631 5813.404       169.7941 5994.393       199.6113 5339.679       322.9410 222.4836 3.708384 209.7589 6.363567 12.72476       7.365263 
1 1 1 24  8  9  o 82.87120 3.204199 832.6632       50.82288 832.8796       56.62540 831.7668       115.2557 82.94634 2.821706 82.79607 5.753741 0.1502762      6.408397 
1 1 1 24  8  10 o 310.0303 4.857096 11498.33       308.0219 11338.01       350.6211 12040.45       644.7538 305.7805 4.739429 314.2802 8.479584 -8.499786      9.714192 
1 1 1 24  8  11 o 39.02833 5.412058 141.3316       38.79043 115.8326       42.03909 287.4480       100.6331 30.35104 5.937691 47.70562 9.050156 -17.35458      10.82412 
1 1 1 24  8  12 o 112.5902 3.269524 1573.693       70.89282 1596.434       79.44754 1484.830       157.0515 114.7820 2.860911 110.3984 5.879994 4.383606       6.539047 
1 1 1 24  8  13 o 32.37996 6.177922 137.0594       40.14876 143.7101       43.20844 95.02677       108.6253 34.32624 5.202836 30.43368 11.20702 3.892555       12.35584 
1 1 1 24  8  14 o 76.65137 3.720646 710.1740       52.82376 704.8966       58.20922 734.8007       125.7430 76.16182 3.159019 77.14091 6.737465 -0.9790955     7.441293 
1 1 1 24  8  15 o 24.92613 6.542384 65.91408       40.61158 71.52460       43.15056 22.40333       120.1664 23.74214 7.021192 26.11011 11.04147 -2.367966      13.08477 
1 1 1 24  8  16 o 25.09034 6.896770 39.44007       41.54317 28.84228       44.18224 120.2855       122.0303 18.23522 7.048669 31.94545 11.85656 -13.71023      13.79354 
1 1 1 24  8  17 o 38.23697 6.357589 243.5984       49.91232 271.4924       54.38436 94.61035       125.6880 46.74294 4.809010 29.73099 11.77069 17.01195       12.71518 
1 1 1 24  8  18 o 22.14328 6.462167 42.80157       49.73013 57.27785       54.55413 -28.36407      120.9579 21.91576 7.961484 22.37080 10.18102 -0.4550362     12.92433 
1 1 1 24  8  19 o 23.53839 7.139320 17.08384       56.00278 -9.007899      61.43851 145.2707       136.1792 16.63307 7.440040 30.44372 12.18710 -13.81066      14.27864 
1 1 1 24  10 0  o 411.5361 5.286551 20520.47       526.3102 20701.25       750.5743 20345.59       738.2097 413.3163 7.506006 409.7560 7.446499 3.560272       10.57310 
1 1 1 24  10 1  o 436.8726 5.579133 23137.12       589.6689 23016.76       829.6791 23259.96       838.2219 435.7270 7.870338 438.0182 7.909783 -2.291229      11.15827 
1 1 1 24  10 2  o 56.71888 3.044940 388.4229       41.68321 428.5858       60.52843 352.1947       57.48701 59.50122 4.204664 53.93654 4.405389 5.564674       6.089881 
1 1 1 24  10 3  o 276.7834 3.788758 9278.683       253.6844 9199.876       355.6796 9360.284       361.9300 275.5890 5.334513 277.9778 5.381608 -2.388885      7.577516 
1 1 1 24  10 4  o 199.1700 3.029264 4798.565       145.8787 4939.724       210.9176 4669.117       201.9798 201.9735 4.316344 196.3664 4.251464 5.607162       6.058528 
1 1 1 24  10 5  o 293.7550 3.975536 10442.32       282.2165 10124.72       387.9604 10799.26       411.2893 289.0264 5.548143 298.4836 5.695406 -9.457214      7.951072 
1 1 1 24  10 6  o 430.8383 5.516927 22526.82       574.5615 21985.82       792.8808 23125.06       833.7656 425.4205 7.703484 436.2560 7.899511 -10.83548      11.03385 
1 1 1 24  10 7  o 253.4602 3.549325 7771.404       217.3541 7504.392       298.0703 8074.611       317.6316 248.8270 4.951297 258.0934 5.086796 -9.266464      7.098650 
1 1 1 24  10 8  o 302.7869 4.970678 11232.28       347.7790 10818.56       580.3188 11464.14       434.4347 298.1944 8.043867 307.3794 5.841810 -9.184998      9.941356 
1 1 1 24  10 9  o 64.11922 3.042572 498.2503       47.03231 443.9890       65.58234 555.7075       67.48596 60.52011 4.479039 67.71832 4.119125 -7.198204      6.085145 
1 1 1 24  10 10 o 273.2101 4.470939 8564.111       238.1396 8235.929       264.6440 9960.738       545.9392 260.6283 4.196993 285.7920 7.895723 -25.16373      8.941878 
1 1 1 24  10 11 o 136.5372 3.263342 2381.407       90.36897 2490.882       104.1381 2047.591       181.8477 143.3762 3.002137 129.6983 5.795237 13.67789       6.526683 
1 1 1 24  10 12 o 225.5127 3.920168 6157.094       180.3859 6119.135       205.5349 6284.354       376.3380 224.4904 3.784300 226.5350 6.866582 -2.044556      7.840336 
1 1 1 24  10 13 f 85.02840 3.494860 795.0469       54.81463 751.9597       59.72269 1025.342       138.0725 78.69029 3.137010 91.36651 6.246228 -12.67622      6.989721 
1 1 1 24  10 14 f 64.11222 4.935861 541.1717       52.38994 553.9466       56.78255 468.0547       135.8454 67.44400 3.479920 60.78044 9.238021 6.663559       9.871721 
1 1 1 24  10 15 o 81.00581 4.422093 927.1035       60.49191 983.0296       66.57240 662.2249       144.8806 89.83533 3.062984 72.17630 8.296852 17.65903       8.844186 
1 1 1 24  10 16 o 19.78024 6.371287 -22.91170      44.51397 -29.31842      47.69327 20.39262       123.9952 13.83541 6.333380 25.72508 11.05719 -11.88967      12.74257 
1 1 1 24  10 17 o 26.81733 7.115781 81.83127       49.55878 83.35808       53.29177 72.06425       134.7874 25.11476 7.879247 28.51990 11.85136 -3.405140      14.23156 
1 1 1 24  10 18 o 57.81702 5.499634 377.3793       58.28399 341.1657       63.18690 583.9382       150.9083 51.84074 5.037946 63.79330 9.777678 -11.95256      10.99927 
1 1 1 24  10 19 o 32.93177 7.037817 200.5115       62.71379 222.6944       67.40244 57.50149       171.1391 39.55249 7.313045 26.31104 12.02675 13.24145       14.07563 
1 1 1 24  12 0  o 345.0441 4.545874 14384.54       378.5855 13791.91       514.3812 15085.01       559.2274 337.3284 6.302748 352.7599 6.552498 -15.43155      9.091747 
1 1 1 24  12 1  o 171.7109 2.826067 3569.681       117.4036 3557.721       165.9197 3581.673       166.1481 171.4228 4.000619 171.9991 3.992703 -0.5763550     5.652135 
1 1 1 24  12 2  o 245.9878 3.495886 7326.007       207.9843 7479.956       298.8563 7181.417       289.6292 248.4906 4.971073 243.4850 4.916635 5.005630       6.991771 
1 1 1 24  12 3  o 302.3835 4.075704 11077.57       298.0581 10871.59       414.6696 11297.74       428.7168 299.4814 5.723084 305.2856 5.804461 -5.804230      8.151408 
1 1 1 24  12 4  o 90.59805 2.622258 993.7397       57.47376 979.0368       80.83917 1008.768       81.72847 89.92031 3.715881 91.27578 3.700969 -1.355469      5.244515 
1 1 1 24  12 5  o 139.0786 2.650001 2341.780       89.13890 2427.275       127.0655 2258.935       125.0808 141.5789 3.709598 136.5783 3.785354 5.000626       5.300003 
1 1 1 24  12 6  o 254.7196 3.589960 7861.543       221.1685 8020.113       317.5900 7712.230       308.1812 257.2094 5.103611 252.2298 5.050188 4.979645       7.179920 
1 1 1 24  12 7  o 245.5576 3.494959 7309.894       207.6213 7397.237       295.5384 7224.781       291.7402 247.0054 4.945442 244.1098 4.939793 2.895630       6.989918 
1 1 1 24  12 8  o 64.87122 3.210964 516.5030       49.60363 613.9142       69.60569 415.9833       70.70753 71.17793 4.042007 58.56451 4.990324 12.61342       6.421928 
1 1 1 24  12 9  o 152.6655 2.737703 2824.753       101.0801 2819.997       140.9699 2829.785       145.0136 152.5372 3.819867 152.7938 3.922840 -0.2565918     5.475405 
1 1 1 24  12 10 o 31.36795 4.969794 122.7649       39.13400 60.65585       54.39438 189.4078       56.34480 23.29083 7.996014 39.44508 5.904168 -16.15425      9.939589 
1 1 1 24  12 11 o 195.8858 3.045930 4662.477       144.3408 4635.424       202.6008 4690.362       205.6917 195.3129 4.287536 196.4586 4.327562 -1.145706      6.091860 
1 1 1 24  12 12 o 76.26514 4.154174 733.7260       55.48972 743.8909       60.62733 681.2612       137.7375 78.27309 3.201502 74.25720 7.666749 4.015884       8.308349 
1 1 1 24  12 13 o 118.7100 3.396165 1708.325       78.11860 1697.333       87.29334 1752.528       175.0472 118.1722 3.053257 119.2477 6.067401 -1.075493      6.792329 
1 1 1 24  12 14 o 114.7206 3.562843 1589.077       76.54096 1571.669       84.55637 1668.055       180.1081 113.6211 3.075989 115.8201 6.427573 -2.198982      7.125687 
1 1 1 24  12 15 o 36.50677 5.747037 256.9819       50.35150 308.8921       54.10311 -78.85782      137.6138 50.08295 4.465087 22.93060 10.59135 27.15235       11.49407 
1 1 1 24  12 16 o 56.61858 6.092805 465.4124       55.97300 484.4898       61.28328 369.4230       137.4656 62.66472 4.042189 50.57244 11.49564 12.09228       12.18561 
1 1 1 24  12 17 o 52.84149 6.881701 350.0575       56.32402 335.4604       59.86230 462.7008       166.2928 51.67855 4.787853 54.00444 12.90379 -2.325890      13.76340 
1 1 1 24  12 18 o 46.49521 7.864316 302.6499       60.34554 288.6828       63.85345 419.3932       184.6062 47.08694 5.605078 45.90349 14.69602 1.183449       15.72863 
1 1 1 24  14 0  o 90.93929 2.698248 1003.112       59.21910 972.4203       86.04243 1030.735       81.62870 89.61175 3.968674 92.26684 3.656748 -2.655090      5.396497 
1 1 1 24  14 1  o 204.3606 3.119028 5036.704       153.7976 5357.513       227.9615 4768.686       208.3629 210.3030 4.480367 198.4182 4.340466 11.88475       6.238056 
1 1 1 24  14 2  o 153.4768 2.767279 2850.097       102.7061 2768.657       142.6392 2937.781       148.0062 151.2026 3.899216 155.7510 3.927778 -4.548431      5.534557 
1 1 1 24  14 3  o 144.0945 2.720142 2514.419       94.82509 2528.771       134.8434 2500.377       133.3745 144.5008 3.857066 143.6881 3.836629 0.8126831      5.440283 
1 1 1 24  14 4  f 218.9847 4.581406 5810.975       242.7252 5810.975       242.7252 0.000000       0.000000 218.9847 4.581406 ?        ?        ?              ?        
1 1 1 24  14 5  o 298.0081 4.046108 10751.12       291.2984 11190.38       426.1756 10365.94       399.0749 303.6971 5.800236 292.3191 5.642804 11.37799       8.092216 
1 1 1 24  14 6  f 33.36740 5.763332 141.4861       46.14977 151.5550       63.36769 130.1136       67.34501 34.61679 7.758270 32.11801 8.524860 2.498783       11.52666 
1 1 1 24  14 7  f 89.36385 2.839592 969.6196       61.27691 1020.250       85.73241 916.7401       87.61555 91.75942 3.861820 86.96828 4.164070 4.791145       5.679184 
1 1 1 24  14 8  o 205.5589 3.159903 5125.915       157.1399 5134.437       221.1279 5117.221       223.3475 205.7349 4.442560 205.3829 4.494843 0.3519592      6.319806 
1 1 1 24  14 9  o 140.2952 2.751586 2377.575       93.15276 2250.767       126.2829 2528.935       137.9670 136.2154 3.831916 144.3750 3.949852 -8.159622      5.503172 
1 1 1 24  14 10 o 147.8494 2.754704 2645.119       98.32446 2516.897       133.7884 2795.711       144.9896 143.9750 3.840867 151.7239 3.949850 -7.748901      5.509408 
1 1 1 24  14 11 o 71.95869 3.058146 630.6892       53.23435 620.1933       75.34322 641.1526       75.22639 71.35636 4.364246 72.56102 4.285136 -1.204659      6.116292 
1 1 1 24  14 12 o 68.86988 3.154243 581.1087       52.22957 660.5497       74.32545 503.6113       73.41058 73.57511 4.175459 64.16465 4.728904 9.410461       6.308486 
1 1 1 24  14 13 o 48.57141 3.971704 291.3518       46.58137 289.8772       67.91824 292.6615       64.00756 48.42331 5.797352 48.71952 5.430327 -0.2962112     7.943409 
1 1 1 24  14 14 o 81.85222 4.676568 909.7401       63.84834 940.9210       69.55898 742.8912       160.9054 87.79230 3.274873 75.91213 8.761071 11.88017       9.353136 
1 1 1 24  14 15 o 40.56242 5.947205 58.94010       47.83681 2.076932       50.48674 558.3582       149.6215 16.47831 7.068372 64.64654 9.566352 -48.16823      11.89441 
1 1 1 24  14 16 f 38.27510 7.200946 216.9117       56.97843 224.0614       61.67434 175.2528       148.8731 41.86801 6.088634 34.68218 13.05155 7.185829       14.40189 
1 1 1 24  14 17 f 32.52557 6.577987 184.0881       58.85600 215.1398       62.92546 -32.95657      166.3637 40.40460 6.437145 24.64653 11.47357 15.75807       13.15597 
1 1 1 24  14 18 o 22.87523 7.624452 12.31518       65.61784 3.598156       68.87650 97.95360       215.8844 17.82497 7.932203 27.92547 13.02341 -10.10050      15.24890 
1 1 1 24  16 0  o 227.4778 3.359699 6268.806       184.8645 6143.283       258.3210 6400.577       264.6703 225.1454 4.742357 229.8102 4.760292 -4.664825      6.719399 
1 1 1 24  16 1  o 169.9663 2.895707 3486.082       118.8060 3700.742       175.3763 3304.018       161.5129 174.7803 4.147402 165.1524 4.042219 9.627823       5.791414 
1 1 1 24  16 2  o 158.6173 2.856988 3046.995       109.6223 2984.539       153.5909 3111.848       156.5090 156.9608 4.044567 160.2739 4.036212 -3.313187      5.713976 
1 1 1 24  16 3  f 285.0329 3.929127 9853.903       270.8997 9988.384       387.7988 9725.736       378.5873 286.9272 5.586404 283.1385 5.526686 3.788727       7.858255 
1 1 1 24  16 4  o 230.8911 3.392863 6456.058       189.3695 6283.402       261.3634 6646.860       274.7561 227.6513 4.745395 234.1310 4.850496 -6.479721      6.785727 
1 1 1 24  16 5  o 256.9664 3.651708 7993.936       226.7189 8350.156       331.3382 7680.316       310.8953 262.3290 5.220629 251.6037 5.107340 10.72530       7.303416 
1 1 1 24  16 6  o 104.4594 2.812600 1320.283       70.98715 1277.545       97.38765 1368.732       103.6905 102.6622 3.920949 106.2566 4.033490 -3.594414      5.625201 
1 1 1 24  16 7  o 111.8186 2.769366 1515.494       74.82547 1498.589       103.0089 1534.379       108.8728 111.1651 3.830047 112.4720 4.001036 -1.306931      5.538732 
1 1 1 24  16 8  o 92.50164 2.839188 1042.053       63.32620 1101.636       87.81054 977.4825       91.41151 95.28183 3.809204 89.72145 4.211165 5.560379       5.678375 
1 1 1 24  16 9  o 122.2605 3.772544 1815.543       111.5894 1815.543       111.5894 0.000000       0.000000 122.2605 3.772544 ?        ?        ?              ?        
1 1 1 24  16 10 o 80.76541 3.047642 793.7654       59.51002 831.8647       85.94489 758.6746       82.48164 82.62610 4.299327 78.90473 4.320679 3.721367       6.095284 
1 1 1 24  16 11 o 72.27021 3.184785 637.0700       55.61822 598.3961       76.71787 679.9150       80.74893 69.95866 4.532656 74.58176 4.475091 -4.623093      6.369569 
1 1 1 24  16 12 o 20.03484 5.582098 4.251865       45.31676 75.36211       65.17115 -62.31811      63.05630 25.30291 8.748585 14.76677 6.935527 10.53614       11.16420 
1 1 1 24  16 13 o 54.73088 3.902117 371.7737       51.66708 368.2534       72.63563 375.3791       73.50877 54.47034 5.511722 54.99142 5.525122 -0.5210800     7.804233 
1 1 1 24  16 14 o 24.63933 6.151734 69.52939       47.74951 32.68470       68.55817 104.2398       66.54292 21.22235 8.593536 28.05631 8.804911 -6.833963      12.30347 
1 1 1 24  16 15 o 25.08605 7.397005 48.58495       54.71008 45.81123       58.62326 67.30518       152.2978 21.15998 8.135769 29.01211 12.35605 -7.852131      14.79401 
1 1 1 24  16 16 o 28.28249 6.278918 132.0414       58.50432 177.8458       62.10785 -228.6734      174.2910 35.89127 7.398396 20.67372 10.14707 15.21754       12.55784 
1 1 1 24  16 17 o 27.76623 8.535536 47.05329       64.30408 18.63152       67.49135 326.8293       211.7521 18.79732 8.118690 36.73515 15.01694 -17.93783      17.07107 
1 1 1 24  18 0  o 301.9897 4.121440 11070.85       301.1212 11031.36       425.0741 11110.63       426.6294 301.4492 5.828385 302.5302 5.828809 -1.080994      8.242881 
1 1 1 24  18 1  o 41.96739 5.189769 213.7175       50.42327 300.0160       76.88457 148.5849       66.79395 49.69099 6.395274 34.24379 8.175284 15.44721       10.37954 
1 1 1 24  18 2  o 319.6144 4.309082 12394.34       332.8961 12055.46       458.9120 12770.70       483.6324 315.0257 6.021173 324.2031 6.165892 -9.177429      8.618164 
1 1 1 24  18 3  o 104.3973 2.839308 1320.740       71.69876 1359.599       102.2738 1283.185       100.5431 105.9082 3.991465 102.8865 4.039168 3.021744       5.678615 
1 1 1 24  18 4  o 188.5370 3.069794 4300.872       139.7573 4144.887       190.6384 4482.107       205.4894 184.8601 4.262505 192.2140 4.418777 -7.353897      6.139588 
1 1 1 24  18 5  o 21.79027 6.063769 33.20160       47.05350 23.65654       68.09503 41.92381       65.09378 21.17706 8.568217 22.40348 8.582706 -1.226421      12.12754 
1 1 1 24  18 6  o 269.2859 3.787446 8822.638       246.6791 8715.696       343.8985 8935.979       354.0362 267.6192 5.311419 270.9527 5.400723 -3.333466      7.574892 
1 1 1 24  18 7  o 156.0906 2.876199 2959.240       108.5896 3053.699       155.0769 2868.368       152.1040 158.5377 4.043080 153.6434 4.091892 4.894257       5.752397 
1 1 1 24  18 8  o 27.12114 5.751697 81.58572       46.71786 8.395710       66.25491 153.9601       65.88472 19.62527 8.243398 34.61701 8.023369 -14.99174      11.50339 
1 1 1 24  18 9  f 83.38600 3.080295 848.0523       62.12857 830.8546       86.76373 866.1502       89.00526 82.52045 4.345846 84.25156 4.366520 -1.731110      6.160591 
1 1 1 24  18 10 o 125.3910 2.850199 1919.069       86.40691 1901.052       119.7677 1938.626       124.7821 124.7958 3.966773 125.9862 4.093805 -1.190392      5.700397 
1 1 1 24  18 11 o 57.44624 3.887600 412.3878       53.34700 471.7401       74.04034 348.3109       76.93077 61.90982 4.943181 52.98265 6.001559 8.927170       7.775201 
1 1 1 24  18 12 o 19.27636 5.865964 -2.190781      50.25282 -27.72736      71.00292 23.43995       71.13370 17.60266 7.926019 20.95004 8.649647 -3.347380      11.73193 
1 1 1 24  18 13 o 42.14722 5.326929 232.0643       52.86540 268.0121       76.23383 198.7631       73.37408 45.82731 6.875766 38.46714 8.138092 7.360176       10.65386 
1 1 1 24  18 14 o 20.21767 5.866016 7.305226       50.72660 -60.13681      72.40704 72.31186       71.08766 15.88474 7.451435 24.55060 9.061827 -8.665859      11.73203 
1 1 1 24  18 15 o 91.40327 3.289216 1053.195       72.32298 1036.109       96.94663 1074.637       108.6034 90.76059 4.415025 92.04597 4.876814 -1.285378      6.578432 
1 1 1 24  18 16 o 27.52513 7.683047 110.4779       60.50823 114.8857       63.43926 66.05592       201.3925 27.54845 8.589246 27.50180 12.74134 0.4664993E-01  15.36609 
1 1 1 24  20 0  o 112.7807 2.886005 1535.182       78.45547 1362.544       107.1831 1734.440       115.1504 105.9770 4.180348 119.5844 3.980049 -13.60742      5.772010 
1 1 1 24  20 1  o 281.6612 3.920960 9641.051       267.0512 9904.063       385.3744 9398.073       370.4051 285.3433 5.582297 277.9792 5.507600 7.364136       7.841919 
1 1 1 24  20 2  o 76.66994 3.287571 715.2233       60.83648 659.0683       86.09850 771.2150       85.97320 73.64677 4.832140 79.69312 4.459025 -6.046349      6.575141 
1 1 1 24  20 3  o 180.3128 3.031840 3946.280       132.1625 3893.500       182.8848 4003.971       191.2046 179.0625 4.221539 181.5631 4.352796 -2.500656      6.063681 
1 1 1 24  20 4  o 233.3108 3.452674 6617.943       194.7995 6806.934       280.8060 6442.621       270.4613 236.5121 4.907391 230.1095 4.858121 6.402618       6.905347 
1 1 1 24  20 5  o 187.5665 3.071003 4267.919       139.1650 4529.157       203.2699 4037.444       190.9275 192.9512 4.354349 182.1817 4.331730 10.76950       6.142006 
1 1 1 24  20 6  o 134.1037 2.797207 2170.136       90.37553 2443.140       134.7483 1946.916       121.8443 141.7121 3.930196 126.4952 3.981334 15.21683       5.594413 
1 1 1 24  20 7  o 86.99231 3.779449 917.5584       75.27795 957.6443       130.5732 897.6018       92.13006 88.22774 6.117113 85.75688 4.440482 2.470856       7.558898 
1 1 1 24  20 8  o 107.8117 2.934326 1419.537       76.49502 1422.025       106.4702 1416.882       109.9755 107.9269 4.077519 107.6965 4.220771 0.2303925      5.868651 
1 1 1 24  20 9  o 136.7693 2.891010 2283.821       95.48523 2487.737       137.9679 2096.360       132.2843 142.6514 3.997605 130.8872 4.177428 11.76414       5.782020 
1 1 1 24  20 10 f 75.88981 3.490778 710.3598       64.08451 715.1736       91.47726 705.7205       89.80426 76.13342 4.966330 75.64620 4.906903 0.4872131      6.981556 
1 1 1 24  20 11 o 106.1384 3.029817 1388.211       77.77749 1430.237       110.1406 1346.408       109.8480 107.7681 4.224303 104.5088 4.344471 3.259300       6.059634 
1 1 1 24  20 12 o 49.42379 5.330656 327.2988       58.80966 458.8827       84.61246 204.3237       81.79778 60.32030 5.797872 38.52729 8.946969 21.79301       10.66131 
1 1 1 24  20 13 o 36.25218 6.477180 190.6323       58.87527 247.3428       81.04924 127.2757       85.66695 42.44058 8.190119 30.06379 10.03680 12.37680       12.95436 
1 1 1 24  20 14 o 57.56991 4.595910 434.8619       63.80617 396.0764       86.44212 481.2906       94.57667 54.74783 6.526136 60.39198 6.472952 -5.644154      9.191820 
1 1 1 24  20 15 o 34.35983 6.784469 192.3125       61.52373 250.9465       85.72878 130.0443       88.34560 40.39430 9.002218 28.32536 10.15264 12.06894       13.56894 
1 1 1 24  22 0  o 71.04547 4.897236 614.9180       84.17628 0.000000       0.000000 614.9180       84.17628 ?        ?        71.04547 4.897236 ?              ?        
1 1 1 24  22 1  o 21.33353 6.058114 26.75674       47.44275 37.08989       72.03423 18.84078       63.04843 22.62910 8.926181 20.03796 8.193063 2.591141       12.11623 
1 1 1 24  22 2  o 42.95407 4.995521 230.2283       50.41466 230.7330       75.85886 229.8290       67.47029 42.63308 7.634953 43.27505 6.444254 -0.6419678     9.991042 
1 1 1 24  22 3  o 79.70586 3.236146 775.6198       62.30346 759.2117       90.15208 790.6215       86.20142 78.87678 4.724156 80.53493 4.424129 -1.658157      6.472293 
1 1 1 24  22 4  o 53.53297 4.102037 348.8489       52.88912 395.2117       78.94868 311.1007       71.23734 56.73862 5.751271 50.32731 5.850617 6.411304       8.204075 
1 1 1 24  22 5  o 34.11134 5.586490 136.1731       48.83486 243.6495       76.40580 61.94377       63.49767 44.30365 7.128275 23.91901 8.603671 20.38464       11.17298 
1 1 1 24  22 6  o 40.73940 5.229013 208.5064       49.91594 265.8001       74.36848 161.5338       67.33762 46.27308 6.642907 35.20572 8.077257 11.06736       10.45803 
1 1 1 24  22 7  o 34.60461 6.353675 161.5639       56.37283 93.44382       83.03493 219.8056       76.77858 28.10518 9.866113 41.10405 8.008533 -12.99886      12.70735 
1 1 1 24  22 8  o 129.1604 3.085573 2050.094       96.36787 2111.017       135.6441 1988.006       136.9346 131.1380 4.275334 127.1827 4.450233 3.955322       6.171147 
1 1 1 24  22 9  o 74.03098 3.635665 679.9823       65.11605 673.5977       91.73965 686.4647       92.44035 73.67902 5.146488 74.38293 5.136722 -0.7039108     7.271330 
1 1 1 24  22 10 o 18.98411 5.835707 -16.29423      52.87879 36.01422       73.57040 -72.19586      76.05529 21.94024 8.895865 16.02799 7.555495 5.912251       11.67141 
1 1 1 24  22 11 o 18.31681 5.757416 -58.31593      56.84994 -155.1888      79.31851 44.01578       81.52271 13.62710 6.719050 23.00651 9.351243 -9.379406      11.51483 
1 1 1 24  22 12 o 105.5375 3.340990 1403.367       85.28323 1417.970       119.6421 1388.283       121.5991 106.1542 4.658484 104.9208 4.790343 1.233452       6.681980 
1 1 1 24  22 13 o 28.30538 6.828661 104.9811       62.96571 21.04884       86.33279 200.3656       92.03436 20.95152 9.115452 35.65924 10.17010 -14.70773      13.65732 
1 1 1 24  22 14 o 22.64014 6.637537 59.93085       62.05792 94.57841       81.11563 11.02805       96.36848 24.90464 9.571382 20.37564 9.198710 4.528992       13.27507 
1 1 1 24  24 0  o 60.21616 4.029780 436.7681       57.70728 568.7730       88.30093 338.3574       76.24155 68.04897 5.363415 52.38335 6.015837 15.66562       8.059561 
1 1 1 24  24 1  o 101.4757 3.024089 1254.610       74.12490 1351.879       108.0901 1168.256       101.8453 105.1845 4.247487 97.76690 4.305730 7.417564       6.048178 
1 1 1 24  24 2  o 100.3624 3.063776 1234.000       74.26796 1166.551       105.8724 1299.346       104.2089 97.61907 4.482763 103.1058 4.177528 -5.486725      6.127553 
1 1 1 24  24 3  o 88.61995 3.225080 962.9758       69.12131 950.0309       98.68315 975.4435       96.84727 88.01622 4.634234 89.22368 4.486472 -1.207458      6.450160 
1 1 1 24  24 4  o 65.60690 3.875366 537.9543       60.71104 476.9189       89.88402 589.1609       82.32931 62.01165 5.991105 69.20214 4.917367 -7.190491      7.750731 
1 1 1 24  24 5  o 73.03603 3.601758 654.9046       63.46293 708.2778       94.13874 610.4407       85.92313 75.73643 5.137611 70.33562 5.049315 5.400818       7.203515 
1 1 1 24  24 6  o 78.40467 3.522555 757.5026       66.62087 793.8918       98.88040 727.2520       90.15521 80.08059 5.103647 76.72875 4.856578 3.351837       7.045110 
1 1 1 24  24 7  o 69.89330 3.922833 609.9120       66.31631 612.2422       92.83137 607.4834       94.76950 70.05713 5.476967 69.72947 5.617589 0.3276596      7.845665 
1 1 1 24  24 8  o 50.51906 5.911334 356.5673       66.59432 222.7498       97.22176 474.8497       91.40440 39.78894 10.08602 61.24918 6.168286 -21.46024      11.82267 
1 1 1 24  24 9  o 42.88450 5.952450 250.9084       60.26861 300.2188       85.14643 201.3978       85.31919 47.98146 7.334840 37.78754 9.376926 10.19392       11.90490 
1 1 1 24  24 10 o 48.80544 5.753955 325.5114       65.79726 328.9906       88.04755 321.1112       99.01837 49.83805 7.302204 47.77284 8.894371 2.065205       11.50791 
1 1 1 24  24 11 o 33.47771 7.117887 169.9647       63.06974 132.7986       85.46252 214.4136       93.46143 29.67567 10.02424 37.27976 10.10801 -7.604088      14.23577 
1 1 1 24  24 12 o 33.56837 8.408909 211.0618       90.39602 141.1065       141.3351 259.4884       117.5931 29.07775 12.11387 38.05898 11.66590 -8.981232      16.81782 
1 1 1 24  26 0  o 30.73861 5.818555 124.9394       54.65879 -12.16112      85.58714 219.3698       71.03053 20.38428 8.966776 41.09295 7.417497 -20.70867      11.63711 
1 1 1 24  26 1  o 38.76373 5.842267 188.1454       56.51177 328.6543       86.56598 83.79266       74.60148 51.03270 7.011266 26.49475 9.347219 24.53795       11.68453 
1 1 1 24  26 2  o 52.32632 4.772292 342.9047       60.05006 366.6692       91.08025 324.6313       79.86742 53.84056 6.992175 50.81208 6.496813 3.028488       9.544584 
1 1 1 24  26 3  o 19.42480 5.992547 -14.14300      51.96640 28.87270       85.11405 -39.70790      65.61601 22.71748 9.427064 16.13213 7.400875 6.585356       11.98509 
1 1 1 24  26 4  o 34.82385 6.548099 155.1769       56.73826 235.0361       90.80280 104.0251       72.67207 41.45522 9.284305 28.19249 9.236454 13.26273       13.09620 
1 1 1 24  26 5  o 36.97041 6.462365 188.6654       56.93554 187.5338       88.36644 189.4687       74.44863 36.60528 9.788314 37.33553 8.440233 -0.7302437     12.92473 
1 1 1 24  26 6  o 27.41500 6.653349 96.36124       56.80166 40.46487       86.19160 139.2745       75.52120 23.21192 9.545319 31.61809 9.271198 -8.406166      13.30670 
1 1 1 24  26 7  o 84.31770 4.788463 913.6835       93.96243 960.6187       156.9199 887.4479       117.3204 85.22483 7.610437 83.41056 5.813669 1.814270       9.576925 
1 1 1 24  26 8  o 53.70070 7.081823 419.8950       89.00980 415.7050       135.4279 423.0815       118.1012 52.26152 11.05599 55.13988 8.852910 -2.878365      14.16365 
1 1 1 24  26 9  o 83.26381 7.209091 940.9875       145.2242 0.000000       0.000000 940.9875       145.2242 ?        ?        83.26381 7.209091 ?              ?        
1 1 1 25  1  0  o 575.8160 7.182601 40135.85       1000.071 40946.50       1443.277 39387.16       1387.027 581.3971 10.26064 570.2349 10.05377 11.16223       14.36520 
1 1 1 25  1  1  o 452.0062 5.733313 24651.99       625.3424 23628.63       848.1370 25871.03       925.6771 441.7712 7.935354 462.2412 8.277298 -20.46997      11.46663 
1 1 1 25  1  2  o 954.7341 11.75610 110684.1       2714.928 111959.5       3886.995 109469.3       3793.682 960.0777 16.73421 949.3904 16.51634 10.68726       23.51220 
1 1 1 25  1  3  o 344.1819 6.355139 14276.53       527.2527 15169.54       787.6442 13551.46       709.7242 353.8740 9.199815 334.4899 8.770097 19.38416       12.71028 
1 1 1 25  1  4  o 433.8219 5.527349 22793.27       580.1207 22893.11       824.1558 22695.22       816.7239 434.7622 7.835292 432.8816 7.798370 1.880585       11.05470 
1 1 1 25  1  5  o 137.4705 2.461274 2286.504       81.85245 2257.224       114.8113 2316.768       116.7261 136.5758 3.474631 138.3652 3.486894 -1.789474      4.922549 
1 1 1 25  1  6  o 308.0092 4.094274 11483.19       304.9264 11756.26       440.3687 11231.66       422.6395 311.5201 5.842894 304.4982 5.736976 7.021973       8.188547 
1 1 1 25  1  7  o 495.8658 6.263756 29858.66       751.2143 29443.08       1046.703 30300.09       1078.778 492.3257 8.787563 499.4059 8.928453 -7.080231      12.52751 
1 1 1 25  1  8  o 171.3770 3.134878 3562.253       112.3489 3567.020       129.6591 3547.888       225.0639 171.6633 3.121933 171.0908 5.437222 0.5724792      6.269756 
1 1 1 25  1  9  o 241.8069 3.919443 7127.293       199.4814 7166.332       231.2282 7013.683       394.4580 243.2507 3.929022 240.3632 6.783134 2.887436       7.838886 
1 1 1 25  1  10 o 69.11462 2.768205 528.1378       40.35386 482.0192       45.93382 684.1166       84.47487 63.09899 3.008901 75.13026 4.647402 -12.03127      5.536409 
1 1 1 25  1  11 f 293.8673 4.565645 10612.67       285.0766 10747.68       332.7714 10240.33       552.6259 297.7352 4.619696 289.9993 7.876476 7.735901       9.131290 
1 1 1 25  1  12 o 154.1001 3.101749 2912.355       100.3925 2945.527       116.4253 2816.181       198.2423 155.9370 3.086001 152.2632 5.381448 3.673843       6.203498 
1 1 1 25  1  13 o 123.7587 2.500333 1856.168       74.83080 1785.057       104.2394 1931.781       107.4888 121.3136 3.551569 126.2038 3.520372 -4.890244      5.000666 
1 1 1 25  1  14 o 18.37779 5.230392 19.11162       35.84256 27.41937       49.76348 10.15572       51.66822 19.05708 7.448735 17.69850 7.344683 1.358576       10.46078 
1 1 1 25  1  15 o 31.61335 5.271860 130.1599       39.90315 151.8260       55.19512 106.4374       57.75503 34.45356 6.862700 28.77314 8.004584 5.680416       10.54372 
1 1 1 25  1  16 o 34.58335 4.965466 154.4900       40.65932 180.5140       56.15248 125.8068       58.95151 38.15025 6.083721 31.01646 7.849316 7.133787       9.930933 
1 1 1 25  1  17 o 56.90588 3.529904 399.9071       48.47609 441.7208       70.37921 362.1630       66.86668 59.76091 4.867712 54.05085 5.113342 5.710052       7.059808 
1 1 1 25  1  18 o 31.19559 6.145884 133.2060       48.19122 147.6233       69.73145 120.0244       66.67651 32.74913 8.666117 29.64206 8.716992 3.107073       12.29177 
1 1 1 25  1  19 o 15.29920 5.138277 -74.76801      51.91172 -49.39553      72.88474 -100.8915      73.95549 16.23322 7.569426 14.36519 6.950635 1.868030       10.27655 
1 1 1 25  3  0  f 210.5749 3.526971 5443.290       157.9178 5531.146       184.5278 5202.855       305.2635 213.8130 3.567183 207.3368 6.085499 6.476212       7.053942 
1 1 1 25  3  1  o 662.4366 9.325656 54568.87       1352.395 56544.41       1617.630 49982.16       2464.832 683.2255 9.786169 641.6477 15.87773 41.57776       18.65131 
1 1 1 25  3  2  o 706.6919 10.11677 60508.52       1729.715 60508.52       1729.715 0.000000       0.000000 706.6919 10.11677 ?        ?        ?              ?        
1 1 1 25  3  3  f 136.9830 3.058256 2364.206       97.10861 2742.891       127.5966 1842.951       149.7013 150.5638 3.502809 123.4022 5.014184 27.16152       6.116511 
1 1 1 25  3  4  o 493.1210 7.166922 29595.45       744.6408 29712.08       863.2692 29256.40       1471.865 495.3088 7.203904 490.9332 12.39205 4.375549       14.33384 
1 1 1 25  3  5  o 501.6541 7.347988 30272.02       761.4684 30018.47       871.7004 31088.64       1564.407 497.7185 7.239043 505.5897 12.78937 -7.871246      14.69598 
1 1 1 25  3  6  o 109.2786 2.720216 1451.692       61.57043 1457.483       70.77502 1433.670       124.8520 109.7477 2.665522 108.8094 4.742710 0.9382629      5.440433 
1 1 1 25  3  7  o 241.2447 3.890305 7163.477       200.0564 7292.249       234.2273 6816.181       384.6581 245.4163 3.944861 237.0731 6.706412 8.343201       7.780611 
1 1 1 25  3  8  o 106.9266 2.774066 1433.350       61.16763 1481.366       70.72902 1290.898       121.8265 110.6347 2.642432 103.2184 4.878454 7.416283       5.548131 
1 1 1 25  3  9  o 222.6560 3.721692 5921.275       170.3673 5843.342       194.3697 6179.655       353.9138 219.6671 3.657306 225.6449 6.482906 -5.977783      7.443383 
1 1 1 25  3  10 o 129.2881 2.875651 1961.210       75.61892 1909.739       85.60800 2143.962       161.3107 125.6008 2.817212 132.9754 5.014059 -7.374603      5.751302 
1 1 1 25  3  11 o 327.1150 5.000655 13134.67       346.6838 13266.26       403.8728 12766.21       675.8183 330.6964 5.047924 323.5336 8.633925 7.162872       10.00131 
1 1 1 25  3  12 o 73.74617 3.328318 658.6490       48.03483 657.6304       53.89794 662.5818       105.9028 73.68060 3.023547 73.81174 5.930343 -0.1311493     6.656636 
1 1 1 25  3  13 o 172.8987 3.285768 3603.598       117.0871 3576.376       133.9332 3691.850       241.1531 171.7424 3.223356 174.0550 5.726696 -2.312607      6.571535 
1 1 1 25  3  14 o 66.06088 4.998315 663.7832       58.53966 778.3979       68.32558 347.4123       113.5171 80.04347 3.528215 52.07830 9.353305 27.96518       9.996630 
1 1 1 25  3  15 o 22.12473 6.078568 43.69156       39.45282 48.81999       43.51197 19.98810       93.54533 20.72376 7.149451 23.52571 9.832664 -2.801952      12.15714 
1 1 1 25  3  16 o 73.35352 3.683043 653.7170       59.50700 640.2432       70.50317 687.0910       110.9602 72.33623 4.028566 74.37080 6.166836 -2.034569      7.366086 
1 1 1 25  3  17 o 86.33456 2.856282 915.2461       59.60784 896.5766       82.27248 935.8746       86.48135 85.42840 3.980614 87.24074 4.097328 -1.812340      5.712564 
1 1 1 25  3  18 o 65.47333 3.598165 537.5992       56.85105 493.9215       80.28524 581.5266       80.51431 62.71137 5.291602 68.23528 4.877101 -5.523914      7.196330 
1 1 1 25  3  19 o 18.27653 5.797509 -13.42283      53.20330 -19.38245      75.85539 -7.652511      74.64095 18.02492 8.147136 18.52814 8.250372 -0.5032234     11.59502 
1 1 1 25  5  0  o 123.4296 3.420807 1843.256       102.1528 1843.256       102.1528 0.000000       0.000000 123.4296 3.420807 ?        ?        ?              ?        
1 1 1 25  5  1  f 356.6114 5.294694 15771.15       410.1533 16279.75       487.5067 14538.96       758.8068 366.7629 5.494052 346.4599 9.052654 20.30307       10.58939 
1 1 1 25  5  2  o 259.9974 4.134955 8233.057       226.6770 8286.595       263.0285 8078.524       446.8707 261.6891 4.154462 258.3056 7.150654 3.383545       8.269910 
1 1 1 25  5  3  o 288.4366 4.508830 9976.289       268.9200 9888.623       307.9097 10258.18       552.1387 285.8531 4.452237 291.0202 7.841925 -5.167175      9.017660 
1 1 1 25  5  4  o 171.2337 3.195278 3636.002       115.8854 3734.485       135.5310 3368.233       223.4794 175.6770 3.188757 166.7904 5.538143 8.886627       6.390555 
1 1 1 25  5  5  o 89.35699 2.892422 966.1879       51.44139 965.9199       58.08559 967.1624       110.7641 89.34528 2.687166 89.36871 5.122848 -0.2342987E-01 5.784845 
1 1 1 25  5  6  o 203.0865 3.506180 4852.564       144.5680 4738.009       163.6357 5259.964       308.5897 197.8484 3.418561 208.3247 6.122633 -10.47635      7.012361 
1 1 1 25  5  7  o 388.4613 5.825412 18175.71       468.3188 18032.91       536.6523 18631.77       959.0494 385.7039 5.750910 391.2187 10.13256 -5.514740      11.65082 
1 1 1 25  5  8  o 444.5780 6.584646 23884.38       606.2425 23721.31       695.1868 24402.14       1238.735 442.1476 6.498782 447.0085 11.45409 -4.860901      13.16929 
1 1 1 25  5  9  o 81.82614 2.918514 804.8632       47.61247 800.1448       53.72551 822.1297       102.7748 81.30425 2.731272 82.34804 5.158589 -1.043785      5.837028 
1 1 1 25  5  10 o 27.12692 5.803432 79.32467       33.78293 73.49796       37.16027 107.0791       81.10233 24.15977 6.294336 30.09406 9.751954 -5.934290      11.60686 
1 1 1 25  5  11 o 143.1197 3.056083 2488.544       90.04654 2493.242       103.1757 2473.528       184.4582 143.4881 2.972069 142.7513 5.340915 0.7368622      6.112166 
1 1 1 25  5  12 o 189.4552 3.469080 4362.847       135.1390 4365.426       154.7236 4354.551       277.5132 189.7805 3.369788 189.1299 6.064866 0.6506195      6.938160 
1 1 1 25  5  13 o 81.43626 3.272397 790.1428       51.72739 779.3383       57.71437 834.2653       116.6297 80.17668 2.975319 82.69585 5.829392 -2.519173      6.544795 
1 1 1 25  5  14 o 171.8988 3.380812 3570.919       117.8216 3541.707       133.8233 3671.624       248.4732 170.7601 3.239240 173.0374 5.935225 -2.277313      6.761625 
1 1 1 25  5  15 o 138.5303 3.249713 2473.941       92.82358 2604.773       108.0239 2104.700       181.4759 146.3584 3.050701 130.7021 5.738970 15.65630       6.499427 
1 1 1 25  5  16 o 35.65804 6.229713 171.9625       43.98970 177.5930       48.10970 143.2481       108.6442 37.92113 5.243835 33.39494 11.30219 4.526184       12.45943 
1 1 1 25  5  17 o 30.18584 6.723029 120.4289       47.61890 125.1117       52.35232 97.98929       114.6015 30.76626 7.166569 29.60542 11.37703 1.160843       13.44606 
1 1 1 25  5  18 o 36.40752 6.567652 193.8984       52.33700 204.7079       58.59111 151.2195       116.4225 40.08042 6.042229 32.73463 11.66309 7.345783       13.13530 
1 1 1 25  5  19 o 46.63802 5.021651 291.9230       56.53625 300.4424       78.33879 282.6627       81.67411 47.53053 6.812427 45.74549 7.379616 1.785038       10.04330 
1 1 1 25  7  0  o 239.0050 4.779319 6912.948       276.3600 0.000000       0.000000 6912.948       276.3600 ?        ?        239.0050 4.779319 ?              ?        
1 1 1 25  7  1  o 98.51768 2.441623 1174.065       58.18471 1188.030       83.28931 1160.752       81.31734 99.08965 3.474231 97.94572 3.431590 1.143921       4.883245 
1 1 1 25  7  2  o 294.2930 3.972659 10484.48       282.8539 10501.49       400.6271 10467.57       399.4072 294.5309 5.622211 294.0551 5.614161 0.4757996      7.945317 
1 1 1 25  7  3  o 166.1366 2.720366 3326.746       109.0746 3152.401       148.0317 3533.835       161.3351 161.3949 3.791077 170.8782 3.902474 -9.483261      5.440732 
1 1 1 25  7  4  o 123.0211 2.445095 1825.255       72.64669 1714.555       99.33075 1952.563       106.5216 119.0248 3.449404 127.0174 3.466349 -7.992638      4.890191 
1 1 1 25  7  5  o 223.6804 3.224884 6058.199       174.5059 6089.643       248.6059 6027.659       245.0106 224.2514 4.582200 223.1093 4.539048 1.142059       6.449769 
1 1 1 25  7  6  o 142.4306 3.008825 2341.258       85.64735 2257.886       96.07827 2663.891       189.0034 136.5862 2.907475 148.2750 5.268652 -11.68872      6.017650 
1 1 1 25  7  7  o 55.14962 4.082761 417.9597       39.85936 446.3123       44.33832 298.5128       91.00616 60.72205 3.018078 49.57718 7.587290 11.14487       8.165523 
1 1 1 25  7  8  o 139.3958 3.040627 2415.182       88.01443 2476.614       101.8759 2234.384       174.7709 143.0358 2.943910 135.7557 5.321189 7.280014       6.081254 
1 1 1 25  7  9  o 174.2906 3.296645 3663.243       117.6225 3647.052       134.2196 3716.835       244.1892 173.5545 3.196522 175.0266 5.766604 -1.472046      6.593291 
1 1 1 25  7  10 o 164.8151 3.264583 3259.332       109.2784 3231.134       124.1498 3356.336       230.2652 163.3483 3.141441 166.2820 5.723752 -2.933624      6.529165 
1 1 1 25  7  11 o 292.3647 4.625967 10364.50       280.2284 10329.85       321.6870 10473.53       570.6510 291.8000 4.556653 292.9294 8.052030 -1.129333      9.251933 
1 1 1 25  7  12 o 126.7892 3.114654 1844.437       76.70399 1776.467       85.15417 2136.823       176.6134 121.0793 2.906925 132.4991 5.509453 -11.41983      6.229308 
1 1 1 25  7  13 o 19.80024 5.908504 19.09990       35.01276 23.44042       37.31789 -12.81380      101.1894 16.89363 6.492165 22.70685 9.873879 -5.813211      11.81701 
1 1 1 25  7  14 o 148.1664 3.312616 2658.607       97.43472 2641.121       109.8013 2723.379       211.3310 147.4445 3.078058 148.8882 5.866793 -1.443695      6.625232 
1 1 1 25  7  15 o 61.84536 4.814120 488.5340       49.30844 493.5649       53.25290 458.2986       130.5507 63.63794 3.458795 60.05278 8.985529 3.585163       9.628240 
1 1 1 25  7  16 o 75.79588 4.019851 672.5012       55.53153 651.8125       60.64508 779.8929       138.1702 73.04078 3.431847 78.55099 7.270436 -5.510208      8.039702 
1 1 1 25  7  17 o 27.05635 6.272078 102.5273       47.34431 124.6013       52.32514 2.860202       111.1850 30.61495 7.187393 23.49776 10.28091 7.117191       12.54416 
1 1 1 25  7  18 o 80.66826 4.352659 807.7676       65.07198 792.1394       71.69837 880.7853       154.9776 80.03016 3.702996 81.30637 7.878475 -1.276207      8.705317 
1 1 1 25  7  19 o 43.20141 7.088751 240.9999       59.02729 211.3808       64.95902 381.3206       141.3887 39.05101 7.138571 47.35181 12.24918 -8.300800      14.17750 
1 1 1 25  9  0  o 578.0922 7.232845 40361.05       1008.042 42580.88       1503.357 38547.71       1358.757 592.4293 10.48874 563.7552 9.962056 28.67407       14.46569 
1 1 1 25  9  1  o 264.5464 3.662836 8471.449       234.4018 8387.146       328.1988 8559.226       334.8909 263.2043 5.153966 265.8885 5.205967 -2.684174      7.325671 
1 1 1 25  9  2  f 316.7591 4.212788 12151.22       322.8101 12284.91       460.9598 12022.55       452.2108 318.4669 5.982690 315.0513 5.932768 3.415588       8.425575 
1 1 1 25  9  3  o 292.4229 3.948188 10352.85       279.2194 10167.47       388.4066 10551.11       401.6795 289.7184 5.541256 295.1274 5.625587 -5.408997      7.896376 
1 1 1 25  9  4  o 277.2666 3.787802 9312.182       254.0659 9401.290       362.3356 9225.993       356.3463 278.5698 5.376191 275.9634 5.337260 2.606384       7.575604 
1 1 1 25  9  5  o 137.8386 2.565691 2298.573       85.53040 2221.202       119.2756 2380.469       122.7142 135.4522 3.639681 140.2250 3.617154 -4.772766      5.131382 
1 1 1 25  9  6  o 236.7433 3.374282 6788.128       193.2256 6906.161       276.8611 6676.040       269.8002 238.7473 4.793151 234.7392 4.750665 4.008072       6.748564 
1 1 1 25  9  7  o 84.58971 2.496350 866.5773       50.95490 951.1800       72.86468 785.6065       71.28355 88.63403 3.397929 80.54539 3.658022 8.088638       4.992699 
1 1 1 25  9  8  o 245.5572 4.920637 7319.963       292.0999 7207.615       403.8723 7443.188       422.9727 243.5985 6.852786 247.5160 7.063286 -3.917465      9.841274 
1 1 1 25  9  9  o 118.1422 3.109270 1689.594       73.07233 1687.997       82.48625 1695.419       157.5078 118.0777 2.887429 118.2067 5.507540 -0.1289597     6.218541 
1 1 1 25  9  10 o 137.2367 3.209816 2230.586       87.30477 2192.040       98.03328 2378.346       191.9374 134.5370 3.011822 139.9363 5.669267 -5.399231      6.419631 
1 1 1 25  9  11 o 181.7633 3.483251 4086.078       130.0606 4153.350       149.4637 3876.264       263.9591 185.1115 3.337335 178.4150 6.115091 6.696533       6.966502 
1 1 1 25  9  12 o 78.42628 3.909164 775.6721       53.86139 788.1730       58.90872 711.9572       132.9931 80.62735 3.019916 76.22521 7.211544 4.402138       7.818328 
1 1 1 25  9  13 o 113.0817 3.395486 1545.366       72.90922 1536.207       80.94011 1584.771       167.8868 112.5030 2.973701 113.6603 6.105278 -1.157333      6.790973 
1 1 1 25  9  14 o 123.4343 3.352960 1878.571       80.25993 1887.710       89.96902 1842.951       177.6176 124.6211 2.984000 122.2475 6.005424 2.373657       6.705921 
1 1 1 25  9  15 o 60.41550 5.919589 541.5851       51.03772 566.4104       54.77605 378.1083       140.5633 68.15672 3.321848 52.67429 11.36360 15.48243       11.83918 
1 1 1 25  9  16 o 26.18213 6.843616 76.50021       46.10667 80.82845       49.57578 48.78049       125.4609 24.97900 7.557749 27.38524 11.41143 -2.406240      13.68723 
1 1 1 25  9  17 o 45.11919 6.326271 244.6284       51.89185 227.7573       56.62207 333.1350       129.6885 42.53425 5.502306 47.70413 11.39348 -5.169884      12.65254 
1 1 1 25  9  18 o 56.86120 5.329173 363.8756       57.47134 325.5439       62.79324 561.6895       142.6469 50.62482 5.126808 63.09757 9.344313 -12.47275      10.65835 
1 1 1 25  9  19 o 21.67179 7.035863 -6.658214      59.39190 -25.50158      64.48398 98.71506       152.4888 15.87763 7.303519 27.46594 12.02797 -11.58831      14.07173 
1 1 1 25  11 0  o 199.0609 3.045585 4793.989       146.6188 4917.869       210.9787 4678.279       203.9030 201.5456 4.326762 196.5763 4.287362 4.969284       6.091169 
1 1 1 25  11 1  o 234.2338 3.365061 6641.178       190.6474 6517.493       265.9145 6771.997       273.4768 231.9918 4.737694 236.4758 4.780040 -4.483932      6.730121 
1 1 1 25  11 2  o 71.02425 2.781407 610.6940       47.79036 612.0275       68.04134 609.3955       67.13924 71.10046 3.955470 70.94805 3.911412 0.1524048      5.562813 
1 1 1 25  11 3  o 117.9384 2.520560 1683.695       71.91761 1664.180       101.1817 1703.622       102.2402 117.2477 3.566938 118.6291 3.562282 -1.381409      5.041121 
1 1 1 25  11 4  o 155.6687 2.708049 2923.692       101.8072 3131.532       149.3414 2743.245       139.1521 160.8183 3.838331 150.5190 3.821169 10.29935       5.416097 
1 1 1 25  11 5  o 208.2101 3.123153 5251.548       157.3238 5255.933       222.1227 5247.134       222.8580 208.2980 4.407635 208.1223 4.425958 0.1756592      6.246307 
1 1 1 25  11 6  o 185.7798 2.935961 4172.922       131.8354 4378.512       191.5147 3987.752       181.7548 190.1200 4.163630 181.4396 4.140489 8.680450       5.871922 
1 1 1 25  11 7  o 103.4959 2.581392 1297.758       64.60457 1316.613       90.36353 1278.044       92.39981 104.2674 3.582138 102.7244 3.717879 1.543030       5.162784 
1 1 1 25  11 8  o 202.2938 3.097871 4958.932       151.6023 5033.736       216.2082 4886.581       212.6325 203.7939 4.385092 200.7937 4.377007 3.000214       6.195742 
1 1 1 25  11 9  o 232.9369 3.377563 6580.568       190.3104 6514.353       266.0846 6649.915       272.3021 231.7416 4.745843 234.1321 4.807151 -2.390503      6.755126 
1 1 1 25  11 10 o 220.4916 3.265744 5898.631       174.1604 6043.759       249.9838 5761.754       242.7744 223.1234 4.630890 217.8598 4.605996 5.263550       6.531488 
1 1 1 25  11 11 o 138.0495 3.372502 2326.472       90.10338 2332.597       100.8344 2302.201       200.7168 138.7184 3.004500 137.3805 6.038879 1.337982       6.745004 
1 1 1 25  11 12 o 23.03309 6.543769 -10.50420      40.08039 -28.78720      42.73638 123.0220       115.4934 13.12604 6.003726 32.94014 11.62923 -19.81410      13.08754 
1 1 1 25  11 13 o 18.23793 5.836661 -4.852071      40.86766 11.94571       43.20265 -147.7692      126.0163 16.48366 6.765800 19.99221 9.512644 -3.508558      11.67332 
1 1 1 25  11 14 o 28.12377 6.548735 101.4933       44.23896 111.6724       47.58154 36.58537       120.1526 29.38057 6.824377 26.86697 11.17907 2.513605       13.09747 
1 1 1 25  11 15 o 14.73551 5.006457 -57.57134      42.60117 -20.11325      45.07431 -371.0887      130.4028 14.01453 6.312305 15.45648 7.772596 -1.441945      10.01291 
1 1 1 25  11 16 o 48.08719 6.581039 320.2148       52.91965 323.6988       57.28642 299.9405       138.1929 51.08969 4.634641 45.08469 12.31911 6.005001       13.16208 
1 1 1 25  11 17 o 89.39908 4.463988 1049.031       69.24216 1059.672       75.63326 993.9321       172.1069 92.75225 3.370436 86.04590 8.267341 6.706352       8.927977 
1 1 1 25  11 18 o 24.34598 7.421855 -24.93943      54.23297 -58.17503      57.77719 221.2968       157.2645 13.57398 6.453605 35.11798 13.36738 -21.54401      14.84371 
1 1 1 25  13 0  o 334.3998 4.431794 13558.79       358.5425 13608.18       508.8312 13510.08       505.2988 335.0034 6.278014 333.7963 6.256975 1.207031       8.863587 
1 1 1 25  13 1  o 187.6106 2.970522 4235.559       134.3659 3938.045       181.0907 4599.976       200.4203 180.3297 4.150751 194.8916 4.250562 -14.56192      5.941044 
1 1 1 25  13 2  o 276.9456 3.811227 9290.413       255.2559 9492.594       367.6051 9102.166       354.7126 279.8493 5.429439 274.0417 5.350048 5.807587       7.622455 
1 1 1 25  13 3  o 36.20377 4.758066 161.4190       40.38067 209.8094       59.43819 119.9401       55.03001 41.59373 5.906570 30.81381 7.461179 10.77992       9.516131 
1 1 1 25  13 4  o 388.8923 5.050576 18352.47       474.9058 17955.05       657.8369 18785.02       686.3036 384.5144 7.071365 393.2702 7.213117 -8.755798      10.10115 
1 1 1 25  13 5  o 87.27893 2.833323 909.8874       59.40294 791.6252       78.98357 1063.895       90.13313 80.83973 4.038403 93.71813 3.975196 -12.87840      5.666646 
1 1 1 25  13 6  o 115.6337 2.676457 1620.125       74.85337 1644.206       105.0726 1595.309       106.6626 116.5088 3.727594 114.7586 3.841711 1.750160       5.352915 
1 1 1 25  13 7  o 398.9896 5.174082 19353.16       499.2271 19753.92       719.3509 18980.80       693.3919 402.9529 7.378773 395.0263 7.255219 7.926636       10.34816 
1 1 1 25  13 8  o 98.32480 2.718237 1173.703       64.53499 1213.361       89.49651 1130.745       93.14532 100.0649 3.696765 96.58465 3.986122 3.480293       5.436473 
1 1 1 25  13 9  o 148.6598 2.748337 2676.662       98.73077 2610.557       135.7465 2750.904       143.8592 146.7199 3.824171 150.5998 3.948308 -3.879929      5.496674 
1 1 1 25  13 10 o 95.13021 2.718987 1098.077       62.52365 1090.040       86.47919 1106.879       90.50149 94.77171 3.771643 95.48872 3.917431 -0.7170105     5.437973 
1 1 1 25  13 11 o 93.58897 2.703770 1065.526       61.13784 1129.408       86.47832 1001.693       86.44560 96.40913 3.707548 90.76881 3.936443 5.640312       5.407540 
1 1 1 25  13 12 o 121.2289 3.601757 1745.383       93.12323 1688.013       107.7803 1914.337       184.9609 117.7387 3.783711 124.7191 6.129774 -6.980446      7.203513 
1 1 1 25  13 13 o 173.6931 3.633731 3664.030       124.6374 3631.492       140.1563 3787.031       272.5071 172.6673 3.355058 174.7189 6.446674 -2.051529      7.267463 
1 1 1 25  13 14 o 74.79825 4.809934 749.1261       60.07641 770.0894       65.33953 634.5033       152.7854 79.41940 3.400534 70.17710 8.998791 9.242294       9.619868 
1 1 1 25  13 15 o 97.07143 3.855060 976.1671       64.68162 901.6284       69.18749 1493.159       182.2127 85.82227 3.332155 108.3206 6.952891 -22.49831      7.710121 
1 1 1 25  13 16 o 73.22293 4.636524 629.8536       61.67111 600.9576       67.18102 784.6520       155.4929 69.69077 3.984455 76.75509 8.373383 -7.064316      9.273048 
1 1 1 25  13 17 o 50.23510 7.336428 259.9001       61.27728 218.8371       64.97943 589.7680       184.1709 40.78127 6.585865 59.68893 13.11179 -18.90766      14.67286 
1 1 1 25  13 18 o 21.66641 7.143854 10.00756       62.15319 10.35672       65.86411 7.168352       187.8179 18.06484 7.908125 25.26798 11.89959 -7.203135      14.28771 
1 1 1 25  15 0  o 357.2849 4.708543 15469.93       406.5329 15016.40       558.7986 15979.88       592.5320 351.7473 6.566321 362.8224 6.750181 -11.07504      9.417087 
1 1 1 25  15 1  o 33.74028 5.376069 142.7393       43.23251 185.8524       63.15273 104.7156       59.30822 38.52592 7.034647 28.95465 8.131557 9.571272       10.75214 
1 1 1 25  15 2  o 450.3278 5.767610 24623.15       627.5098 25450.26       917.0629 23894.92       860.5010 457.3870 8.287299 443.2686 8.023838 14.11841       11.53522 
1 1 1 25  15 3  o 104.2056 2.744520 1315.247       69.19040 1310.205       97.38945 1320.386       98.31715 104.0043 3.870420 104.4069 3.892224 -0.4025269     5.489040 
1 1 1 25  15 4  o 226.0042 3.340815 6184.294       182.5454 6396.747       264.2324 5990.313       252.4845 229.7099 4.754490 222.2985 4.694570 7.411392       6.681629 
1 1 1 25  15 5  o 69.44699 4.396348 584.5709       73.86655 0.000000       0.000000 584.5709       73.86655 ?        ?        69.44699 4.396348 ?              ?        
1 1 1 25  15 6  o 169.3412 4.157529 3476.017       170.3336 0.000000       0.000000 3476.017       170.3336 ?        ?        169.3412 4.157529 ?              ?        
1 1 1 25  15 7  o 235.4479 3.436755 6699.129       195.1820 6364.753       263.8626 7103.171       290.0501 229.0045 4.762462 241.8914 4.956217 -12.88689      6.873509 
1 1 1 25  15 8  o 38.67543 4.914479 185.0935       44.38585 138.1438       60.43542 240.0741       65.40027 32.95758 7.715575 44.39327 6.089198 -11.43568      9.828959 
1 1 1 25  15 9  o 128.8263 2.710582 2016.569       84.39881 2110.191       118.9789 1921.743       119.7406 131.8509 3.729792 125.8017 3.934166 6.049171       5.421163 
1 1 1 25  15 10 o 153.3605 2.818547 2860.263       104.5702 2902.468       148.9382 2819.232       146.8530 154.4762 3.985127 152.2448 3.986926 2.231476       5.637093 
1 1 1 25  15 11 o 158.4710 2.857505 3059.138       109.4940 3000.774       151.7900 3122.455       158.0982 156.9090 3.998462 160.0330 4.083336 -3.123993      5.715009 
1 1 1 25  15 12 o 66.08292 3.373505 532.7759       53.79017 583.7673       79.42906 489.5807       73.10537 68.99023 4.758713 63.17561 4.782969 5.814617       6.747010 
1 1 1 25  15 13 o 144.8019 2.838962 2565.758       99.38992 2698.487       143.0751 2441.973       138.1704 148.4308 3.984166 141.1729 4.045398 7.257935       5.677924 
1 1 1 25  15 14 o 18.29921 5.864558 -10.86076      47.46684 19.56944       50.22370 -265.4373      145.2665 17.99685 7.330197 18.60158 9.156438 -0.6047249     11.72912 
1 1 1 25  15 15 o 24.39487 6.764792 65.57159       51.82582 84.25680       55.44851 -63.56931      145.7715 25.27828 8.050109 23.51145 10.87407 1.766823       13.52958 
1 1 1 25  15 16 o 62.40165 6.581999 533.7731       65.59486 528.1964       70.86125 567.1624       173.3907 64.85273 4.516253 59.95056 12.36504 4.902168       13.16400 
1 1 1 25  15 17 o 24.03608 6.784833 75.38889       60.01378 106.1963       63.27889 -200.2380      189.2746 26.74413 8.608534 21.32803 10.48947 5.416105       13.56967 
1 1 1 25  17 0  o 234.3483 4.847849 6658.351       274.8611 0.000000       0.000000 6658.351       274.8611 ?        ?        234.3483 4.847849 ?              ?        
1 1 1 25  17 1  o 127.1885 2.780665 1960.127       85.55318 1935.871       121.5039 1983.978       120.4835 126.4060 3.973016 127.9710 3.891469 -1.565010      5.561330 
1 1 1 25  17 2  o 198.1723 3.132024 4758.375       150.1312 4673.476       209.5914 4847.840       215.1530 196.3592 4.411842 199.9855 4.446790 -3.626297      6.264048 
1 1 1 25  17 3  o 315.2314 4.255783 12062.49       324.4556 12304.25       466.5416 11836.04       451.5258 318.2802 6.058685 312.1825 5.978217 6.097748       8.511565 
1 1 1 25  17 4  o 114.3909 2.787848 1586.087       77.12569 1642.743       109.4380 1530.182       108.7100 116.4238 3.885296 112.3580 3.999108 4.065735       5.575696 
1 1 1 25  17 5  o 191.5229 3.086151 4438.688       142.8147 4674.478       208.5245 4230.376       195.9981 196.2985 4.390740 186.7474 4.338055 9.551117       6.172303 
1 1 1 25  17 6  o 168.8661 4.110772 3460.223       167.9455 3460.223       167.9455 0.000000       0.000000 168.8661 4.110772 ?        ?        ?              ?        
1 1 1 25  17 7  o 100.6859 2.809167 1228.174       68.34546 1148.820       94.43925 1315.438       99.03456 97.27453 4.012833 104.0973 3.932284 -6.822807      5.618335 
1 1 1 25  17 8  o 106.2485 2.786452 1371.888       71.60538 1415.883       101.5912 1328.453       100.9425 107.9476 3.889925 104.5495 3.990706 3.398094       5.572903 
1 1 1 25  17 9  o 19.74039 5.700335 18.81311       43.15336 25.70482       61.64030 12.18855       60.43372 20.38399 8.185403 19.09679 7.935645 1.287199       11.40067 
1 1 1 25  17 10 o 118.7248 2.832698 1721.555       81.16210 1866.086       115.0101 1578.171       114.5524 123.7346 3.841869 113.7150 4.163744 10.01964       5.665397 
1 1 1 25  17 11 o 54.01613 4.083640 361.4284       53.22864 382.7339       74.32790 338.9992       76.26270 55.70429 5.515195 52.32797 6.023876 3.376320       8.167280 
1 1 1 25  17 12 o 20.95047 5.878964 16.46467       46.42683 -24.37020      60.47975 75.05125       72.44251 16.31204 7.332789 25.58891 9.191251 -9.276873      11.75793 
1 1 1 25  17 13 o 18.94893 5.518486 -12.37150      46.90138 64.48673       66.06082 -90.48853      66.59959 23.90053 8.748981 13.99733 6.728307 9.903198       11.03697 
1 1 1 25  17 14 o 33.07900 5.971286 148.0966       52.17953 234.0589       75.06779 67.73537       72.58102 41.80218 7.706472 24.35583 9.123339 17.44636       11.94257 
1 1 1 25  17 15 o 24.40046 7.438539 44.56421       66.60712 54.31600       72.81052 -5.459846      164.9078 22.76344 8.975746 26.03748 11.86438 -3.274040      14.87708 
1 1 1 25  17 16 f 40.74696 8.474917 140.2777       65.59121 81.47018       69.47855 622.1297       198.8799 24.30865 8.961212 57.18528 14.38727 -32.87663      16.94983 
1 1 1 25  19 0  o 173.4259 2.997669 3639.296       125.6316 3486.347       172.6920 3811.246       183.1048 169.5663 4.209498 177.2855 4.268980 -7.719193      5.995337 
1 1 1 25  19 1  o 80.75259 4.365272 790.9583       85.28448 0.000000       0.000000 790.9583       85.28448 ?        ?        80.75259 4.365272 ?              ?        
1 1 1 25  19 2  o 76.53600 3.233750 710.6743       59.86516 732.2433       85.48370 689.9149       83.86378 77.67657 4.548738 75.39542 4.597558 2.281143       6.467500 
1 1 1 25  19 3  o 27.74200 6.132096 92.07979       47.37096 55.97139       68.65115 124.8981       65.44884 24.08528 8.902169 31.39872 8.435746 -7.313442      12.26419 
1 1 1 25  19 4  o 136.5475 2.796064 2262.500       92.35844 2249.124       129.4170 2276.383       131.8460 136.1391 3.929220 136.9561 3.979086 -0.8170013     5.592128 
1 1 1 25  19 5  o 73.88437 3.231519 663.7785       57.75050 647.6008       81.73157 679.9089       81.61165 72.98040 4.628937 74.78835 4.510409 -1.807945      6.463037 
1 1 1 25  19 6  o 101.2615 2.824445 1244.098       69.07571 1352.063       99.81557 1144.873       95.69057 105.4799 3.911347 97.04312 4.075699 8.436768       5.648890 
1 1 1 25  19 7  o 109.6577 4.040935 1565.164       94.97794 1697.655       113.8755 1262.344       172.1591 118.1086 3.985165 101.2069 7.031008 16.90174       8.081869 
1 1 1 25  19 8  o 50.74528 4.375776 319.5368       52.91882 385.6030       75.36198 255.2749       74.32582 56.04678 5.557754 45.44378 6.760253 10.60300       8.751552 
1 1 1 25  19 9  o 133.4096 2.865484 2171.453       92.43354 2273.258       133.0909 2076.591       128.4729 136.4334 4.032044 130.3858 4.072667 6.047623       5.730968 
1 1 1 25  19 10 o 18.88645 5.587814 -15.38009      47.39724 -80.71198      66.05331 53.96319       68.05095 14.41820 6.867784 23.35471 8.816360 -8.936506      11.17563 
1 1 1 25  19 11 o 37.19618 5.916714 184.8592       52.05232 205.9197       72.63377 162.6233       74.63313 39.57393 7.863358 34.81842 8.842943 4.755508       11.83343 
1 1 1 25  19 12 o 38.73215 5.891316 201.7015       53.53368 195.8399       74.08573 208.1063       77.44185 38.15863 8.264098 39.30566 8.398518 -1.147026      11.78263 
1 1 1 25  19 13 o 76.82982 3.598808 740.3784       66.86261 731.2302       92.91434 750.2039       96.29211 76.37059 5.028684 77.28905 5.149564 -0.9184570     7.197615 
1 1 1 25  19 14 o 72.74937 3.828734 677.5551       67.16377 700.9534       92.45968 651.4150       97.72688 74.26886 5.145687 71.22989 5.670867 3.038971       7.657468 
1 1 1 25  19 15 o 33.41735 6.791392 173.0343       58.45750 140.3268       80.22926 210.0511       85.35102 29.99532 9.697174 36.83938 9.510881 -6.844059      13.58278 
1 1 1 25  21 0  o 137.9988 2.828442 2307.397       94.22854 2243.827       128.3985 2381.597       138.7174 135.9553 3.903568 140.0423 4.094203 -4.087067      5.656884 
1 1 1 25  21 1  o 82.79605 3.172710 832.6579       63.49137 818.5534       87.56911 848.2901       92.18971 82.06430 4.410566 83.52780 4.561935 -1.463501      6.345419 
1 1 1 25  21 2  o 66.43490 3.571189 539.3705       57.11434 477.9687       80.79325 600.7073       80.75050 62.61663 5.333141 70.25317 4.750913 -7.636539      7.142378 
1 1 1 25  21 3  o 159.7612 2.908405 3097.270       112.2839 3307.561       162.7839 2906.407       155.0826 164.9302 4.079520 154.5922 4.146419 10.33798       5.816809 
1 1 1 25  21 4  o 24.24735 6.259215 59.54440       47.55392 69.75865       71.53005 51.45443       63.65882 25.48275 9.135289 23.01194 8.559066 2.470806       12.51843 
1 1 1 25  21 5  o 110.0492 2.859229 1475.007       76.11762 1492.199       108.6869 1458.459       106.6356 110.6755 4.059042 109.4229 4.028019 1.252541       5.718458 
1 1 1 25  21 6  o 105.5032 2.891974 1354.912       73.73363 1423.042       107.4252 1294.227       101.3868 108.0007 4.111280 103.0057 4.068345 4.995041       5.783948 
1 1 1 25  21 7  f 48.73768 4.914378 294.3015       55.38468 388.2324       83.73628 221.2521       73.84451 56.01843 6.178463 41.45693 7.644019 14.56150       9.828755 
1 1 1 25  21 8  o 34.39565 6.615635 156.9352       56.56736 147.8497       79.84014 166.0931       80.15745 33.42937 9.451026 35.36192 9.259840 -1.932545      13.23127 
1 1 1 25  21 9  o 52.70801 4.380867 346.4909       55.82975 332.3146       77.42210 361.8484       80.58311 51.58408 6.203646 53.83194 6.187307 -2.247864      8.761734 
1 1 1 25  21 10 o 99.97874 3.173444 1229.297       76.55875 1360.425       111.9849 1114.231       104.9026 105.0001 4.408262 94.95741 4.566203 10.04267       6.346888 
1 1 1 25  21 11 o 77.27277 3.584061 744.9400       66.93619 793.3948       96.43757 699.8962       92.98114 79.72732 4.999618 74.81822 5.136712 4.909096       7.168123 
1 1 1 25  21 12 o 57.07038 4.595767 420.9069       63.31152 416.9417       92.34739 424.4234       86.96670 56.68365 6.733866 57.45711 6.256146 -0.7734566     9.191535 
1 1 1 25  21 13 o 34.47309 6.718066 177.8810       57.77331 184.6505       77.18627 169.2570       87.12034 35.53734 8.975165 33.40885 9.998803 2.128490       13.43613 
1 1 1 25  21 14 o 43.35165 6.264020 274.4384       64.59162 191.9785       85.19327 385.9256       99.05958 34.64399 9.751637 52.05932 7.864945 -17.41533      12.52804 
1 1 1 25  23 0  o 174.7287 4.267812 3722.239       180.4147 3722.239       180.4147 0.000000       0.000000 174.7287 4.267812 ?        ?        ?              ?        
1 1 1 25  23 1  o 54.68923 4.139686 367.5150       54.72580 366.5788       78.99680 368.3789       75.88490 54.60399 5.979747 54.77448 5.726309 -0.1704865     8.279371 
1 1 1 25  23 2  o 60.09451 4.024443 452.5505       57.15994 352.0303       82.39194 545.8221       79.36569 53.41286 6.375830 66.77617 4.912573 -13.36331      8.048886 
1 1 1 25  23 3  o 155.0374 2.924560 2932.747       109.6615 3005.861       157.5842 2864.093       152.7007 156.9046 4.151209 153.1702 4.120639 3.734436       5.849120 
1 1 1 25  23 4  o 56.13997 4.071299 385.7115       54.62202 477.5450       80.96457 308.9998       73.99895 62.29545 5.372005 49.98449 6.119105 12.31096       8.142597 
1 1 1 25  23 5  o 72.71176 3.529824 654.5450       61.65445 595.8144       89.84730 706.8132       84.76003 69.52207 5.341707 75.90146 4.615712 -6.379387      7.059648 
1 1 1 25  23 6  o 107.2360 3.009750 1410.276       77.99462 1322.175       109.4771 1501.079       111.1439 103.7992 4.359399 110.6727 4.150906 -6.873451      6.019500 
1 1 1 25  23 7  o 56.33329 4.493902 398.4893       60.96847 355.0337       86.00925 442.3784       86.43722 53.13390 6.690695 59.53268 6.001267 -6.398788      8.987803 
1 1 1 25  23 8  o 152.4906 3.047395 2866.269       112.3646 2832.773       155.9448 2902.438       162.0457 151.6032 4.251676 153.3780 4.366889 -1.774750      6.094790 
1 1 1 25  23 9  o 18.73714 5.939679 -27.39593      56.55612 -59.07111      79.59629 4.901454       80.37424 17.02313 7.928553 20.45114 8.846310 -3.428003      11.87936 
1 1 1 25  23 10 o 23.78241 6.660376 52.90325       57.61833 27.59290       79.82466 80.43414       83.25266 21.63583 9.066033 25.92900 9.759584 -4.293165      13.32075 
1 1 1 25  23 11 o 26.28721 6.905966 87.97220       60.84108 122.8353       81.97541 45.21660       90.78146 29.23399 9.817880 23.34043 9.714870 5.893564       13.81193 
1 1 1 25  23 12 o 58.81737 4.938723 467.7735       69.20388 373.5405       95.31086 572.8492       100.6450 52.00196 7.575657 65.63277 6.338246 -13.63081      9.877446 
1 1 1 25  23 13 o 20.80927 6.451914 20.57912       64.14701 -28.40514      90.27214 70.54226       91.16967 18.18111 8.459746 23.43744 9.743791 -5.256336      12.90383 
1 1 1 25  25 0  o 43.85415 5.409804 238.8631       55.26205 316.7545       85.67464 183.3665       72.31702 50.31118 7.038588 37.39712 8.217189 12.91405       10.81961 
1 1 1 25  25 1  o 43.91162 5.554822 262.5950       54.91715 182.0387       84.63327 321.1808       72.17512 36.92720 9.437596 50.89604 5.861398 -13.96885      11.10964 
1 1 1 25  25 2  o 96.94815 3.151614 1153.006       73.75067 1174.304       108.4573 1134.687       100.5854 97.73674 4.586682 96.15957 4.323545 1.577171       6.303228 
1 1 1 25  25 3  o 71.15189 3.677357 624.4416       63.18213 654.9063       92.92333 598.2472       86.16497 72.73692 5.280410 69.56686 5.119482 3.170052       7.354714 
1 1 1 25  25 4  o 46.22552 5.183215 270.4253       57.74340 280.8495       86.10915 261.9073       77.83873 46.95695 7.579614 45.49408 7.071939 1.462868       10.36643 
1 1 1 25  25 5  o 37.03900 5.977218 160.4790       57.16337 316.6565       92.73197 64.75980       72.59720 49.65918 7.718407 24.41882 9.128787 25.24035       11.95444 
1 1 1 25  25 6  f 22.30983 6.229047 11.90932       53.66011 104.2481       84.88795 -49.54392      69.25105 28.53214 9.977857 16.08753 7.459656 12.44460       12.45809 
1 1 1 25  25 7  o 75.31636 3.750587 713.5323       67.49844 578.5468       93.74584 858.8451       97.26584 67.67651 5.725479 82.95621 4.846286 -15.27971      7.501173 
1 1 1 25  25 8  o 59.47910 7.012985 496.9574       93.81451 502.6770       156.5710 493.7537       117.1784 58.05561 11.55352 60.90259 7.952606 -2.846981      14.02597 
1 1 1 25  25 9  o 38.85046 8.417511 241.6576       86.20164 246.1630       130.7269 238.1916       114.6618 38.80693 12.36082 38.89398 11.42926 -0.8705139E-01 16.83502 
1 1 1 25  25 10 o 31.45305 8.506573 158.4488       89.01147 185.9608       140.0365 139.7977       115.3008 32.94698 12.59648 29.95913 11.43573 2.987846       17.01315 
1 1 1 25  25 11 o 67.35428 6.479775 894.2891       118.4020 -1.532421      175.8560 1637.121       160.1370 24.36836 11.48764 110.3402 5.998679 -85.97183      12.95955 
1 1 1 25  27 0  o 41.27943 6.022468 242.6595       61.74937 92.59672       89.36648 379.7634       85.42070 27.78370 10.17507 54.77515 6.445807 -26.99145      12.04494 
1 1 1 25  27 1  o 56.13763 4.564439 396.2972       61.72490 439.8062       92.58369 361.4851       82.81525 58.86954 6.500422 53.40572 6.409442 5.463821       9.128879 
1 1 1 25  27 2  o 26.70601 6.581371 64.68202       57.50975 163.3615       89.36177 -5.082609      75.13737 34.16395 10.10423 19.24806 8.435775 14.91590       13.16274 
1 1 1 25  27 3  o 64.58105 5.628318 525.8639       83.50623 616.4188       146.6930 482.4509       101.5695 67.88647 8.931490 61.27563 6.851302 6.610836       11.25664 
1 1 1 26  0  0  o 464.0531 5.876896 26087.19       932.4354 26087.19       932.4354 26087.19       932.4354 464.0531 8.311187 464.0531 8.311187 0.000000       0.000000 
1 1 1 26  0  2  f 76.73364 3.353974 720.5235       87.28579 720.5235       87.28579 720.5235       87.28579 76.73364 4.743235 76.73364 4.743235 0.000000       0.000000 
1 1 1 26  0  3  o 80.94195 2.307770 796.4718       63.67604 796.4718       63.67604 796.4718       63.67604 80.94195 3.263679 80.94195 3.263679 0.000000       0.000000 
1 1 1 26  0  4  o 87.27613 2.294309 925.3585       68.29680 925.3585       68.29680 925.3585       68.29680 87.27613 3.244643 87.27613 3.244643 0.000000       0.000000 
1 1 1 26  0  5  o 706.8546 8.768390 60653.48       2119.170 60653.48       2119.170 60653.48       2119.170 706.8546 12.40038 706.8546 12.40038 0.000000       0.000000 
1 1 1 26  0  6  o 308.9517 4.112058 11567.86       434.3300 11567.86       434.3300 11567.86       434.3300 308.9517 5.815328 308.9517 5.815328 0.000000       0.000000 
1 1 1 26  0  7  o 492.1469 6.213541 29392.44       1045.536 29392.44       1045.536 29392.44       1045.536 492.1469 8.787273 492.1469 8.787273 0.000000       0.000000 
1 1 1 26  0  8  o 83.58059 2.347694 849.3651       66.89669 849.3651       66.89669 849.3651       66.89669 83.58059 3.320141 83.58059 3.320141 0.000000       0.000000 
1 1 1 26  0  9  o 146.0579 2.551975 2586.674       127.3560 2586.674       127.3560 2586.674       127.3560 146.0579 3.609038 146.0579 3.609038 0.000000       0.000000 
1 1 1 26  0  10 o 36.49871 4.158663 173.4137       47.88952 173.4137       47.88952 173.4137       47.88952 36.49871 5.881238 36.49871 5.881238 0.000000       0.000000 
1 1 1 26  0  11 o 166.8567 2.720410 3376.063       155.1221 3376.063       155.1221 3376.063       155.1221 166.8567 3.847240 166.8567 3.847240 0.000000       0.000000 
1 1 1 26  0  12 o 126.9898 2.497164 1957.213       108.3111 1957.213       108.3111 1957.213       108.3111 126.9898 3.531523 126.9898 3.531523 0.000000       0.000000 
1 1 1 26  0  13 o 79.84396 2.588435 777.2142       70.37408 777.2142       70.37408 777.2142       70.37408 79.84396 3.660600 79.84396 3.660600 0.000000       0.000000 
1 1 1 26  0  14 o 84.95496 2.615940 880.1566       75.71046 880.1566       75.71046 880.1566       75.71046 84.95496 3.699497 84.95496 3.699497 0.000000       0.000000 
1 1 1 26  0  15 o 38.78047 5.058254 201.4392       60.39074 201.4392       60.39074 201.4392       60.39074 38.78047 7.153451 38.78047 7.153451 0.000000       0.000000 
1 1 1 26  0  16 o 32.78809 5.936026 155.5049       57.56554 155.5049       57.56554 155.5049       57.56554 32.78809 8.394809 32.78809 8.394809 0.000000       0.000000 
1 1 1 26  0  17 o 9.885252 4.896244 -61.46881      62.23052 -61.46881      62.23052 -61.46881      62.23052 9.885252 6.924335 9.885252 6.924335 0.000000       0.000000 
1 1 1 26  0  18 o 8.814820 4.483779 -109.4628      66.21944 -109.4628      66.21944 -109.4628      66.21944 8.814820 6.341022 8.814820 6.341022 0.000000       0.000000 
1 1 1 26  0  19 o 10.91392 5.392706 -62.86306      74.16755 -62.86306      74.16755 -62.86306      74.16755 10.91392 7.626438 10.91392 7.626438 0.000000       0.000000 
1 1 1 26  2  0  o 436.8998 6.372741 23400.28       594.6722 23730.32       696.2731 22510.41       1143.285 442.7812 6.499622 431.0184 10.96368 11.76276       12.74548 
1 1 1 26  2  1  o 447.7404 8.037342 24263.92       869.7325 23628.79       1197.394 24973.23       1265.396 441.5581 11.20848 453.9227 11.52238 -12.36459      16.07468 
1 1 1 26  2  2  o 544.3655 7.754616 36786.87       922.0164 38028.24       1100.350 33860.80       1689.363 560.3908 8.115916 528.3403 13.21621 32.05054       15.50923 
1 1 1 26  2  3  o 294.6263 4.608302 10182.31       273.5981 9931.304       308.6513 11102.92       591.1027 286.4757 4.453259 302.7768 8.069341 -16.30109      9.216603 
1 1 1 26  2  4  o 227.5843 3.770162 6056.834       173.1549 5892.562       195.3463 6659.131       374.0492 220.6704 3.658969 234.4982 6.593059 -13.82779      7.540323 
1 1 1 26  2  5  o 478.4387 7.087063 27070.83       684.0176 26509.44       772.7966 29101.73       1469.857 467.7387 6.829038 489.1387 12.42055 -21.39996      14.17413 
1 1 1 26  2  6  o 268.7060 4.261553 8620.521       235.4290 8507.684       268.5959 8994.646       489.0808 265.0870 4.188020 272.3250 7.423195 -7.238007      8.523106 
1 1 1 26  2  7  o 471.8126 6.891113 27277.50       688.7411 27495.76       801.7309 26662.70       1345.560 476.0811 6.960579 467.5440 11.89538 8.537109       13.78223 
1 1 1 26  2  8  f 79.36369 2.774682 794.2495       45.55829 826.2926       52.86176 701.7252       89.82611 82.62741 2.644327 76.09998 4.878830 6.527428       5.549365 
1 1 1 26  2  9  f 210.4534 3.566482 5368.479       156.9650 5368.166       181.0970 5369.423       314.7169 210.5498 3.555117 210.3570 6.183876 0.1928253      7.132965 
1 1 1 26  2  10 o 101.7029 2.819621 1303.672       60.01198 1358.861       70.05904 1151.576       116.3034 105.9493 2.733153 97.45646 4.932639 8.492805       5.639242 
1 1 1 26  2  11 o 222.4119 3.761476 5922.886       172.1122 5851.870       196.4850 6157.049       356.7899 219.7715 3.695351 225.0522 6.552799 -5.280746      7.522951 
1 1 1 26  2  12 o 59.82632 3.368683 399.8565       41.36563 372.3222       46.62207 501.7252       89.67563 55.42407 3.476889 64.22857 5.770904 -8.804497      6.737365 
1 1 1 26  2  13 o 22.02027 5.747506 39.31882       35.09513 30.05693       39.85891 71.26711       74.02855 18.08142 6.763287 25.95913 9.294797 -7.877710      11.49501 
1 1 1 26  2  14 o 119.3842 3.054080 1746.902       74.19295 1756.361       84.67833 1715.646       153.9289 120.3075 2.909226 118.4609 5.370848 1.846603       6.108159 
1 1 1 26  2  15 o 28.34396 5.492885 103.3303       39.00883 88.51225       54.78821 118.5652       55.55339 26.42836 7.933682 30.25956 7.598937 -3.831192      10.98577 
1 1 1 26  2  16 o 53.36666 3.642539 351.0237       46.20601 269.9473       63.39404 442.9109       67.48830 46.70018 5.610836 60.03314 4.646599 -13.33295      7.285078 
1 1 1 26  2  17 o 34.69174 5.368216 160.0087       45.09718 110.5039       64.53955 207.2413       63.04094 28.84246 8.600077 40.54102 6.427258 -11.69857      10.73643 
1 1 1 26  2  18 o 24.50280 6.216025 70.93088       48.14225 100.0631       68.10596 41.83722       68.06091 27.31820 8.941167 21.68740 8.637789 5.630802       12.43205 
1 1 1 26  2  19 f 19.74743 6.095980 8.575445       55.01256 10.84829       77.97952 6.323466       77.62074 19.90110 8.660852 19.59376 8.580998 0.3073425      12.19196 
1 1 1 26  4  0  o 464.3123 6.654256 26904.59       680.9487 28149.45       820.6205 24152.29       1220.196 482.2144 7.033959 446.4101 11.29778 35.80429       13.30851 
1 1 1 26  4  1  o 280.8646 4.370948 9662.119       261.1740 9790.828       305.0517 9308.745       505.4601 284.4505 4.432660 277.2787 7.534738 7.171844       8.741896 
1 1 1 26  4  2  o 544.6481 7.922835 35656.34       892.9363 35373.34       1023.040 36561.57       1829.673 540.4615 7.823940 548.8347 13.77938 -8.373230      15.84567 
1 1 1 26  4  3  o 423.1108 6.266795 21509.33       549.1223 21340.92       629.3589 22046.40       1123.880 419.8500 6.195865 426.3716 10.89505 -6.521576      12.53359 
1 1 1 26  4  4  o 491.3931 7.159499 29372.82       739.6548 29448.85       856.2780 29149.32       1468.061 493.0208 7.178724 489.7654 12.38950 3.255310       14.31900 
1 1 1 26  4  5  o 51.29982 3.683428 339.1302       35.18754 351.9394       39.28017 287.0910       79.17299 53.92837 3.010605 48.67126 6.723603 5.257107       7.366857 
1 1 1 26  4  6  o 81.85020 2.834872 810.8469       46.48045 810.6517       52.61526 811.5408       99.18687 81.84682 2.657099 81.85358 5.008574 -0.6767273E-02 5.669744 
1 1 1 26  4  7  o 122.7782 2.818381 1853.034       71.74455 1879.909       82.73589 1771.565       144.0525 124.6321 2.743858 120.9243 4.923854 3.707863       5.636763 
1 1 1 26  4  8  o 129.5968 2.853906 2036.418       76.38726 2038.527       87.62755 2029.744       155.8947 129.7771 2.790875 129.4165 4.978968 0.3605347      5.707811 
1 1 1 26  4  9  o 194.8131 3.423027 4567.602       137.8834 4537.878       157.9684 4662.701       282.5593 193.5900 3.372757 196.0362 5.957596 -2.446228      6.846053 
1 1 1 26  4  10 o 143.4406 3.035107 2509.340       89.91911 2524.198       103.2847 2462.820       182.7622 144.3910 2.956606 142.4901 5.301507 1.900909       6.070213 
1 1 1 26  4  11 o 224.9608 3.792759 6160.539       178.1217 6177.445       205.4953 6109.459       357.1935 225.7837 3.761898 224.1379 6.586973 1.645752       7.585519 
1 1 1 26  4  12 o 92.22431 3.081831 1018.722       55.59025 1009.341       62.24620 1055.681       123.5568 91.27997 2.818611 93.16866 5.481437 -1.888687      6.163661 
1 1 1 26  4  13 o 169.2649 3.302999 3441.722       114.0281 3404.844       129.7389 3566.925       239.0538 167.5482 3.200577 170.9815 5.778885 -3.433350      6.605998 
1 1 1 26  4  14 o 64.51550 4.039724 512.0711       47.51535 513.1433       52.26233 506.9601       114.1030 64.98657 3.324014 64.04443 7.363994 0.9421463      8.079448 
1 1 1 26  4  15 f 33.79222 6.014664 147.3691       41.98994 150.3149       46.52954 134.4438       97.46439 34.94788 5.503077 32.63655 10.69677 2.311325       12.02933 
1 1 1 26  4  16 o 56.91085 4.281384 363.2965       48.13120 337.1140       53.44508 475.6693       110.7217 52.42891 4.213418 61.39280 7.454403 -8.963890      8.562769 
1 1 1 26  4  17 o 40.93865 6.197596 242.9277       47.37457 254.8297       52.23428 187.7454       112.4726 45.34497 4.761286 36.53233 11.44425 8.812645       12.39519 
1 1 1 26  4  18 o 50.69004 4.294878 328.5634       52.56585 340.1270       73.02927 316.1312       75.72255 51.71905 5.836388 49.66102 6.302418 2.058029       8.589755 
1 1 1 26  4  19 o 80.55760 3.514441 828.4537       68.35916 768.1698       96.37364 889.4962       96.97809 77.45873 5.142633 83.65648 4.791502 -6.197746      7.028882 
1 1 1 26  6  0  o 713.7168 8.840739 61696.63       1524.780 60058.27       2096.256 63537.37       2221.959 703.6983 12.31277 723.7352 12.68978 -20.03693      17.68148 
1 1 1 26  6  1  o 273.5013 3.735512 9051.258       247.1439 8925.383       345.9522 9182.452       353.1885 271.5603 5.265597 275.4423 5.299972 -3.882050      7.471025 
1 1 1 26  6  2  o 44.31474 3.316400 239.1384       35.04292 190.1935       48.98758 290.4319       50.14918 39.64029 5.107952 48.98920 4.231177 -9.348904      6.632799 
1 1 1 26  6  3  o 381.7029 5.694850 17723.54       457.2421 17791.25       529.6010 17525.28       906.2022 383.3193 5.710652 380.0866 9.854629 3.232758       11.38970 
1 1 1 26  6  4  o 303.8156 4.706842 11183.65       298.9886 11182.42       344.9070 11187.39       599.7292 303.9120 4.690854 303.7193 8.161699 0.1927185      9.413684 
1 1 1 26  6  5  o 268.5133 4.275510 8689.396       238.1816 8644.602       273.3962 8830.458       485.1584 267.2070 4.229047 269.8197 7.432032 -2.612732      8.551020 
1 1 1 26  6  6  o 23.55434 5.400482 67.06809       30.97606 74.02077       34.04591 33.64664       74.64519 24.23006 5.869705 22.87863 9.066829 1.351437       10.80096 
1 1 1 26  6  7  o 187.8915 3.352510 4335.356       132.7999 4397.703       154.4140 4158.239       260.2633 190.5941 3.348690 185.1890 5.808921 5.405045       6.705019 
1 1 1 26  6  8  f 280.4435 4.409054 9620.694       260.9210 9703.518       303.1041 9383.700       512.7225 283.0051 4.426855 277.8820 7.626400 5.123047       8.818108 
1 1 1 26  6  9  f 168.5594 3.209134 3376.937       110.1967 3321.978       125.1242 3566.925       232.6409 165.6431 3.122236 171.4756 5.607656 -5.832489      6.418268 
1 1 1 26  6  10 o 167.8732 3.247679 3395.148       111.9944 3376.117       127.9573 3457.466       231.5494 166.9717 3.167523 168.7747 5.670667 -1.802994      6.495357 
1 1 1 26  6  11 o 115.4448 3.115028 1621.813       71.10426 1625.723       80.15478 1607.377       154.0380 115.8620 2.859473 115.0277 5.535071 0.8343506      6.230056 
1 1 1 26  6  12 o 120.3311 3.094901 1785.628       74.57786 1807.640       84.70056 1709.697       157.3148 122.1399 2.866331 118.5222 5.486146 3.617714       6.189803 
1 1 1 26  6  13 o 107.4349 3.108500 1371.842       65.83394 1348.945       73.80176 1461.035       145.6628 105.4669 2.892331 109.4029 5.503228 -3.935974      6.217001 
1 1 1 26  6  14 o 62.86267 4.648121 559.4701       49.87020 597.6399       55.11053 386.9126       117.1768 70.12052 3.248532 55.60482 8.710176 14.51570       9.296243 
1 1 1 26  6  15 o 43.31210 5.677472 241.8333       43.02317 242.6624       47.04473 237.5967       106.3485 44.52237 4.367475 42.10183 10.48141 2.420536       11.35494 
1 1 1 26  6  16 o 50.04764 5.420516 281.9540       48.20058 262.3446       52.40097 389.7680       122.8696 46.13751 4.694429 53.95777 9.771914 -7.820259      10.84103 
1 1 1 26  6  17 o 28.81837 6.970864 91.34142       46.77407 81.15535       51.15806 143.2481       115.4841 24.92627 7.703588 32.71048 11.62009 -7.784204      13.94173 
1 1 1 26  6  18 o 67.21826 4.732955 557.9443       58.87244 542.0534       64.73801 633.9084       141.5430 66.05282 4.051032 68.38371 8.555266 -2.330894      9.465910 
1 1 1 26  6  19 o 46.25248 6.982636 314.6520       62.24024 308.2191       69.24695 341.7014       141.9951 48.45324 5.907117 44.05172 12.65444 4.401516       13.96527 
1 1 1 26  8  0  o 142.3266 2.600570 2450.001       89.52503 2394.854       124.9083 2508.254       128.3781 140.6806 3.669902 143.9726 3.685603 -3.292007      5.201139 
1 1 1 26  8  1  o 68.67761 2.701422 570.7607       44.87449 588.4904       63.76479 553.3638       63.16370 69.73451 3.779470 67.62072 3.860873 2.113792       5.402844 
1 1 1 26  8  2  o 122.9779 2.493371 1829.850       74.17371 1875.253       105.6808 1785.768       104.1313 124.4813 3.509050 121.4745 3.543186 3.006851       4.986742 
1 1 1 26  8  3  o 273.0825 3.741842 9011.229       246.8244 8690.890       337.6680 9378.775       361.6942 267.8875 5.209969 278.2774 5.372313 -10.38992      7.483684 
1 1 1 26  8  4  o 97.23669 2.440987 1144.258       57.40270 1188.567       81.73037 1101.123       80.63997 99.09483 3.409024 95.37856 3.494598 3.716270       4.881974 
1 1 1 26  8  5  o 386.6639 5.001527 18076.25       466.6704 18966.50       690.7031 17328.52       633.0079 395.3698 7.220804 377.9579 6.922506 17.41190       10.00305 
1 1 1 26  8  6  o 211.5039 3.124877 5416.875       159.8739 5333.593       223.5464 5504.067       228.7343 209.8414 4.403261 213.1665 4.435168 -3.325119      6.249754 
1 1 1 26  8  7  o 164.1873 3.245898 3407.668       112.3823 3571.466       131.9269 2974.420       214.5594 171.7592 3.174761 156.6154 5.662535 15.14388       6.491796 
1 1 1 26  8  8  o 222.1378 3.768848 6048.880       175.6830 6116.337       203.6295 5852.469       347.4625 224.7234 3.745330 219.5522 6.541358 5.171280       7.537696 
1 1 1 26  8  9  o 36.34938 5.612617 203.5404       37.64563 224.3586       41.05014 93.42059       94.41170 43.03307 3.942847 29.66570 10.50999 13.36738       11.22523 
1 1 1 26  8  10 o 143.5939 3.139099 2416.976       90.46328 2354.306       101.8675 2650.803       196.7665 139.4293 3.019807 147.7584 5.504230 -8.329132      6.278199 
1 1 1 26  8  11 o 21.16018 6.007586 32.56046       38.41341 39.39993       41.88632 -3.628793      96.34979 19.52190 6.991420 22.79847 9.771614 -3.276567      12.01517 
1 1 1 26  8  12 o 228.3869 3.907323 6261.114       181.8926 6181.144       206.8171 6534.206       382.1870 225.6572 3.788218 231.1165 6.835064 -5.459320      7.814646 
1 1 1 26  8  13 o 168.8999 3.430573 3356.978       113.8278 3272.375       127.2176 3696.609       254.8935 164.1634 3.203087 173.6364 6.067584 -9.472977      6.861147 
1 1 1 26  8  14 o 98.65164 3.590258 1242.235       65.67603 1271.799       72.99529 1116.597       150.4787 102.2999 2.949289 95.00338 6.546869 7.296516       7.180515 
1 1 1 26  8  15 o 25.27069 6.725569 63.32399       40.30122 65.23510       42.56240 46.75788       125.3124 22.78648 7.024083 27.75490 11.47150 -4.968426      13.45114 
1 1 1 26  8  16 o 121.6228 3.371723 1805.575       80.39716 1789.135       90.19827 1869.126       177.3445 121.0585 3.079646 122.1871 5.999153 -1.128662      6.743445 
1 1 1 26  8  17 o 48.79285 6.171947 298.1177       52.93896 286.5598       57.73133 359.1910       132.7077 47.88689 4.983019 49.69880 11.29342 -1.811909      12.34389 
1 1 1 26  8  18 o 25.12409 7.216729 45.85079       52.24969 29.09365       56.88187 136.3474       132.1874 19.19223 7.807195 31.05596 12.13970 -11.86373      14.43346 
1 1 1 26  8  19 o 29.06102 7.612563 46.72205       59.14349 -6.224488      64.46111 328.4949       148.7061 16.96459 7.602267 41.15745 13.19129 -24.19286      15.22513 
1 1 1 26  10 0  o 324.1999 4.303129 12731.50       337.4904 12637.27       473.5310 12828.78       481.1265 322.9828 6.059917 325.4170 6.111063 -2.434143      8.606258 
1 1 1 26  10 1  o 270.7089 3.722768 8875.049       243.8092 8929.141       346.8502 8822.218       342.7823 271.5232 5.279984 269.8945 5.249550 1.628723       7.445536 
1 1 1 26  10 2  o 238.1523 3.398474 6868.548       195.8121 6894.953       277.2383 6842.264       276.6030 238.6093 4.802458 237.6954 4.809875 0.9138641      6.796947 
1 1 1 26  10 3  o 198.6479 3.023891 4777.227       145.3087 4839.479       207.6341 4717.472       203.4256 199.9153 4.292896 197.3806 4.259894 2.534607       6.047781 
1 1 1 26  10 4  o 210.0850 3.121576 5341.601       158.5921 5220.811       220.3327 5471.459       228.4538 207.6239 4.386312 212.5461 4.442658 -4.922287      6.243151 
1 1 1 26  10 5  o 373.6717 4.861470 16945.94       439.4975 16993.12       623.0978 16899.23       620.0005 374.1879 6.882784 373.1555 6.867521 1.032410       9.722940 
1 1 1 26  10 6  o 154.9319 2.697432 2905.726       101.0740 2862.947       140.7092 2951.330       145.2809 153.7557 3.782588 156.1080 3.846633 -2.352341      5.394864 
1 1 1 26  10 7  o 155.0815 2.690623 2910.144       100.8961 2830.767       139.8683 2996.262       145.6868 152.8800 3.781519 157.2830 3.828566 -4.403046      5.381245 
1 1 1 26  10 8  o 163.4484 3.356537 3227.599       125.9631 3274.242       215.9913 3203.559       155.0623 164.2847 5.434213 162.6121 3.941406 1.672684       6.713073 
1 1 1 26  10 9  o 219.2222 3.774082 5982.734       175.5226 6155.602       205.6004 5518.144       337.0556 225.3931 3.770343 213.0512 6.539059 12.34190       7.548164 
1 1 1 26  10 10 o 21.22508 6.202182 7.388903       37.96228 -1.512827      40.99755 60.91612       100.5329 14.95188 6.390377 27.49828 10.63162 -12.54640      12.40436 
1 1 1 26  10 11 o 95.81692 3.456783 1106.401       62.02301 1100.672       68.56791 1132.183       145.4675 95.29642 2.974007 96.33741 6.241209 -1.040985      6.913567 
1 1 1 26  10 12 f 265.6807 4.411360 8450.486       236.1704 8297.823       266.9995 8999.405       506.2884 261.1673 4.225608 270.1940 7.744975 -9.026642      8.822721 
1 1 1 26  10 13 o 77.35306 4.437969 824.1332       58.49000 867.5010       64.28138 615.4670       141.0027 84.48998 3.144689 70.21613 8.300193 14.27385       8.875937 
1 1 1 26  10 14 o 79.91402 3.718116 710.3742       56.33570 668.7437       61.83355 913.7418       136.6656 74.07613 3.450195 85.75191 6.587389 -11.67578      7.436231 
1 1 1 26  10 15 o 57.28832 6.719610 631.3861       56.66314 710.4158       61.62481 199.0482       144.1358 76.27870 3.339258 38.29794 13.01776 37.98077       13.43922 
1 1 1 26  10 16 o 34.52326 7.013031 141.9723       47.89067 132.2082       51.74049 200.3569       126.5212 31.64421 6.948512 37.40231 12.18395 -5.758101      14.02606 
1 1 1 26  10 17 o 20.35442 6.426746 10.68304       49.36813 23.15641       52.75967 -77.08508      139.9518 18.38498 7.503429 22.32385 10.43604 -3.938866      12.85349 
1 1 1 26  10 18 o 22.85324 7.140949 33.00882       54.43260 34.17783       57.68092 23.49792       164.5254 19.49857 7.886993 26.20791 11.90664 -6.709335      14.28190 
1 1 1 26  12 0  o 259.4973 3.625532 8149.261       227.4615 7940.158       314.6350 8378.198       329.2186 256.0172 5.079670 262.9773 5.174445 -6.960052      7.251064 
1 1 1 26  12 1  o 66.82881 2.899898 541.0085       46.86655 530.1002       66.80601 551.5795       65.76486 66.16406 4.173410 67.49357 4.027441 -1.329506      5.799796 
1 1 1 26  12 2  o 227.8547 3.316757 6285.816       182.7811 6165.457       254.5293 6413.973       262.6447 225.6056 4.663216 230.1039 4.717831 -4.498215      6.633514 
1 1 1 26  12 3  o 400.4909 5.171957 19466.81       500.9988 19750.16       718.4990 19198.68       698.9443 403.3165 7.363391 397.6653 7.264781 5.651215       10.34391 
1 1 1 26  12 4  o 112.3904 2.607123 1530.147       70.85995 1554.530       99.25827 1504.804       101.1919 113.3059 3.620863 111.4749 3.752029 1.830910       5.214247 
1 1 1 26  12 5  o 138.7867 2.680716 2327.679       89.89764 2234.043       123.3854 2433.628       131.2474 135.8196 3.754906 141.7537 3.826961 -5.934067      5.361432 
1 1 1 26  12 6  o 131.7113 2.671338 2100.988       85.06107 2212.108       121.1940 1993.106       119.4148 135.1463 3.706590 128.2762 3.847776 6.870163       5.342676 
1 1 1 26  12 7  o 281.2323 3.862892 9595.959       262.8289 9597.038       370.6592 9594.868       372.7419 281.2505 5.447273 281.2140 5.478592 0.3656006E-01  7.725785 
1 1 1 26  12 8  o 52.16036 3.807816 331.5367       46.70179 235.8716       64.01760 440.3680       68.28095 44.06344 6.005077 60.25729 4.683685 -16.19384      7.615633 
1 1 1 26  12 9  o 200.3578 3.094896 4870.443       149.9954 4872.664       210.1880 4868.138       214.1177 200.4100 4.334971 200.3057 4.418319 0.1042938      6.189791 
1 1 1 26  12 10 o 210.1623 3.182323 5362.726       161.7426 5266.264       224.8781 5466.107       232.8048 208.2126 4.464140 212.1120 4.536537 -3.899338      6.364645 
1 1 1 26  12 11 o 105.9067 3.454662 1379.702       67.84227 1387.273       75.00142 1345.628       159.1141 106.9555 2.898438 104.8579 6.271986 2.097549       6.909324 
1 1 1 26  12 12 o 121.8632 3.565467 1839.469       81.34845 1853.496       90.25063 1778.703       187.8425 123.5407 3.019521 120.1858 6.460086 3.354874       7.130934 
1 1 1 26  12 13 o 29.50512 6.756948 110.9042       44.65568 119.0082       47.49120 49.05413       131.1998 30.41470 6.640200 28.59554 11.77001 1.819164       13.51390 
1 1 1 26  12 14 o 24.59647 6.428447 69.74288       43.63815 84.16063       46.43745 -39.14337      127.6163 25.51286 7.206012 23.68009 10.64768 1.832769       12.85689 
1 1 1 26  12 15 o 50.96577 5.616981 204.7623       50.33884 152.6674       53.54805 600.7139       147.6275 34.22018 6.707641 67.71136 9.011628 -33.49118      11.23396 
1 1 1 26  12 16 f 58.36062 6.519470 487.6595       59.23663 497.8010       64.01579 427.2457       156.2442 63.39468 4.173804 53.32656 12.35287 10.06812       13.03894 
1 1 1 26  12 17 o 26.81633 7.948470 34.93398       55.33226 15.75312       58.35487 205.8299       174.1842 18.23350 7.701600 35.39917 13.90676 -17.16567      15.89694 
1 1 1 26  12 18 o 27.35641 8.001494 93.82379       61.73853 88.68396       64.91413 142.5342       199.8369 24.71118 8.719099 30.00164 13.41913 -5.290461      16.00299 
1 1 1 26  14 0  o 186.8400 2.987123 4226.196       134.9872 4311.405       193.8576 4145.995       188.0751 188.6660 4.247045 185.0140 4.201695 3.652039       5.974247 
1 1 1 26  14 1  o 165.1136 2.846231 3296.636       113.6066 3164.480       156.9332 3442.152       164.6743 161.6429 4.012878 168.5844 4.037442 -6.941452      5.692462 
1 1 1 26  14 2  o 242.2374 3.472040 7111.269       203.4768 7073.355       286.3963 7149.912       289.1426 241.5864 4.899961 242.8884 4.920430 -1.301987      6.944079 
1 1 1 26  14 3  o 258.4451 3.637662 8097.373       227.4519 8138.875       322.3435 8056.219       320.9918 259.1049 5.142106 257.7853 5.146755 1.319580       7.275324 
1 1 1 26  14 4  o 197.4446 3.066534 4722.758       146.4715 4808.063       208.7019 4639.957       205.6166 199.2018 4.330429 195.6875 4.343029 3.514282       6.133068 
1 1 1 26  14 5  o 109.5427 2.699768 1453.045       71.46332 1553.937       102.2300 1356.627       99.93773 113.2635 3.730666 105.8220 3.903474 7.441490       5.399535 
1 1 1 26  14 6  o 243.8633 3.505533 7193.340       206.4461 6905.595       281.7526 7526.915       303.3611 238.6217 4.880404 249.1050 5.033558 -10.48335      7.011066 
1 1 1 26  14 7  o 138.1119 2.748947 2311.799       91.82728 2306.276       128.2430 2317.611       131.5468 137.9457 3.842582 138.2781 3.932099 -0.3324127     5.497894 
1 1 1 26  14 8  o 185.3709 3.012469 4165.458       135.0072 4069.298       186.7077 4270.834       195.4501 183.1370 4.213895 187.6048 4.306154 -4.467834      6.024938 
1 1 1 26  14 9  o 56.82386 3.459869 393.1849       47.47914 402.9986       65.71368 382.4667       68.67549 57.57721 4.717402 56.07052 5.062499 1.506683       6.919738 
1 1 1 26  14 10 o 82.90460 2.910579 832.7980       58.17696 740.4034       79.94725 936.7937       84.81792 78.02156 4.235323 87.78764 3.993484 -9.766083      5.821157 
1 1 1 26  14 11 f 66.32671 3.218810 536.8581       51.64901 533.9932       72.59034 539.7956       73.50368 66.14960 4.535752 66.50383 4.568358 -0.3542328     6.437620 
1 1 1 26  14 12 o 82.74697 4.188878 836.5702       83.85947 836.5702       83.85947 0.000000       0.000000 82.74697 4.188878 ?        ?        ?              ?        
1 1 1 26  14 13 o 94.97348 4.109936 1197.616       70.77604 1244.656       78.60284 996.0738       162.7000 101.0525 3.215057 88.89442 7.565032 12.15812       8.219872 
1 1 1 26  14 14 o 35.42221 7.193639 167.2601       52.47013 169.2735       56.62363 155.0268       139.5734 36.11003 6.728955 34.73440 12.71672 1.375629       14.38728 
1 1 1 26  14 15 o 20.87882 6.632834 0.7375298      50.33181 2.946506       54.17204 -13.20642      136.1046 17.02174 7.312200 24.73590 11.06841 -7.714159      13.26567 
1 1 1 26  14 16 o 34.70278 7.765533 158.4147       54.75359 152.4357       58.08710 206.0678       163.9868 33.40076 7.384454 36.00480 13.66323 -2.604031      15.53107 
1 1 1 26  14 17 o 67.22917 7.597641 754.9139       73.29288 779.4276       78.78136 597.1446       199.8624 78.60471 4.142597 55.85363 14.61969 22.75107       15.19528 
1 1 1 26  16 0  o 121.6773 2.753329 1793.400       81.04893 1800.032       114.1625 1786.660       115.0840 121.9051 3.870788 121.4496 3.916667 0.4555359      5.506658 
1 1 1 26  16 1  o 226.8163 3.349366 6223.458       183.5592 6472.870       268.0579 6003.242       251.8806 231.0812 4.794702 222.5515 4.678018 8.529678       6.698733 
1 1 1 26  16 2  o 137.2724 3.915265 2282.820       130.0309 2282.820       130.0309 0.000000       0.000000 137.2724 3.915265 ?        ?        ?              ?        
1 1 1 26  16 3  o 90.28720 2.884904 987.8622       63.01007 977.7386       89.47836 997.8207       88.74557 89.82691 4.117269 90.74749 4.042125 -0.9205780     5.769807 
1 1 1 26  16 4  o 86.53558 2.953779 906.5696       61.71845 989.1411       88.84608 829.5635       85.79975 90.34374 4.064788 82.72743 4.286809 7.616310       5.907557 
1 1 1 26  16 5  o 206.2776 3.175072 5160.348       158.4548 5184.904       224.4071 5135.930       223.7721 206.7675 4.485925 205.7876 4.494531 0.9798431      6.350144 
1 1 1 26  16 6  o 178.8489 2.989877 3879.311       129.3451 3993.801       184.2654 3768.101       181.6066 181.4534 4.197363 176.2445 4.259060 5.208847       5.979753 
1 1 1 26  16 7  o 88.25310 2.921427 948.1036       62.18590 996.1528       86.15076 895.8344       89.85440 90.60849 3.929959 85.89771 4.323699 4.710785       5.842855 
1 1 1 26  16 8  o 80.42139 3.000963 788.4891       58.08368 882.1203       82.21550 695.1887       82.07016 85.22481 3.987359 75.61797 4.485986 9.606834       6.001925 
1 1 1 26  16 9  o 150.1401 2.830410 2740.969       102.7813 2711.480       143.2846 2772.226       147.5172 149.3159 3.966353 150.9643 4.038928 -1.648438      5.660821 
1 1 1 26  16 10 o 101.5521 3.895306 1256.204       95.70461 1256.204       95.70461 0.000000       0.000000 101.5521 3.895306 ?        ?        ?              ?        
1 1 1 26  16 11 f 41.85125 4.765305 219.9955       47.10803 199.0304       65.26514 242.7977       68.06464 39.42621 7.103451 44.27628 6.354013 -4.850071      9.530609 
1 1 1 26  16 12 o 98.83379 2.869420 1199.266       68.39342 1297.486       96.18385 1098.813       97.27113 102.9949 3.859972 94.67269 4.246752 8.322205       5.738840 
1 1 1 26  16 13 o 61.42718 3.684800 468.7274       54.55656 472.1343       74.20478 464.7192       80.48676 61.74193 4.967631 61.11243 5.443680 0.6295052      7.369601 
1 1 1 26  16 14 o 56.90622 6.664783 430.4226       70.84161 424.0578       79.22889 455.8001       158.2026 58.05661 5.640656 55.75583 12.07726 2.300785       13.32957 
1 1 1 26  16 15 o 27.78946 7.716866 89.64116       57.78068 93.36735       61.13377 58.44141       176.8986 26.20957 8.463973 29.36936 12.90586 -3.159798      15.43373 
1 1 1 26  16 16 o 30.05600 6.979075 150.2650       58.85142 172.1322       62.81770 -6.678168      168.2895 34.88570 7.653122 25.22630 11.67303 9.659403       13.95815 
1 1 1 26  18 0  o 121.8166 2.819343 1796.085       83.03942 1876.468       119.8328 1721.828       115.1765 124.4357 3.980415 119.1974 3.993879 5.238312       5.638685 
1 1 1 26  18 1  o 222.9886 3.350093 6008.000       180.3008 5710.164       244.8241 6360.972       266.5233 216.9823 4.663666 228.9949 4.810686 -12.01254      6.700185 
1 1 1 26  18 2  f 179.2336 3.004612 3891.462       130.2141 3790.605       180.4275 4001.096       188.1140 176.8152 4.217751 181.6519 4.280346 -4.836716      6.009225 
1 1 1 26  18 3  o 126.8215 2.841130 1942.139       86.99268 1813.751       118.6123 2091.592       127.9727 122.3052 4.008503 131.3378 4.027405 -9.032608      5.682261 
1 1 1 26  18 4  o 114.3083 2.825973 1585.961       78.06031 1679.425       110.6127 1493.232       110.1765 117.6739 3.885279 110.9426 4.104766 6.731354       5.651947 
1 1 1 26  18 5  o 54.27855 3.938200 359.0759       51.61638 350.8744       74.85594 366.5103       71.26923 53.67479 5.764393 54.88231 5.367442 -1.207523      7.876399 
1 1 1 26  18 6  o 128.8941 2.774109 2015.152       86.39271 1977.684       118.6908 2057.372       125.9913 127.6310 3.843781 130.1573 4.001009 -2.526337      5.548218 
1 1 1 26  18 7  o 133.0152 3.996517 2151.117       128.6131 2151.117       128.6131 0.000000       0.000000 133.0152 3.996517 ?        ?        ?              ?        
1 1 1 26  18 8  o 158.0763 2.909624 3030.575       111.0343 2824.629       151.2719 3271.138       163.4916 152.2814 4.105906 163.8712 4.123734 -11.58977      5.819248 
1 1 1 26  18 9  o 55.09865 3.961871 372.8826       52.73029 344.7696       73.42921 402.8163       75.76962 52.93550 5.733497 57.26181 5.469250 -4.326309      7.923742 
1 1 1 26  18 10 o 57.93985 3.886780 413.0860       54.19406 357.6565       74.80782 474.3058       78.61801 53.80678 5.746556 62.07292 5.235011 -8.266136      7.773561 
1 1 1 26  18 11 o 88.79092 3.112108 965.8610       66.55257 845.1310       91.73524 1100.012       96.69999 82.89439 4.574132 94.68746 4.221159 -11.79307      6.224216 
1 1 1 26  18 12 o 24.46015 5.737888 50.77993       49.03561 141.1267       68.32248 -45.19572      70.41866 32.37869 8.582909 16.54161 7.617554 15.83708       11.47578 
1 1 1 26  18 13 f 51.63142 4.497605 338.7084       56.07109 328.3094       76.50497 350.7769       82.41773 50.83317 6.220714 52.42968 6.497424 -1.596504      8.995210 
1 1 1 26  18 14 o 21.82250 6.288841 39.65091       52.29756 44.89616       75.52395 34.81872       72.48919 22.33849 9.028626 21.30650 8.756824 1.031992       12.57768 
1 1 1 26  18 15 o 58.83024 4.388620 456.3453       62.41416 454.2697       86.52226 458.5971       90.12161 58.78630 6.083443 58.87418 6.327057 -0.8787918E-01 8.777240 
1 1 1 26  18 16 f 28.35222 8.534461 95.65640       67.26932 74.41525       70.75137 295.6573       217.1010 23.00802 8.912409 33.69642 14.55737 -10.68839      17.06892 
1 1 1 26  20 0  o 115.4969 2.851079 1614.744       79.56963 1721.100       115.6872 1519.259       109.6151 119.0990 4.014899 111.8948 4.049098 7.204262       5.702159 
1 1 1 26  20 1  o 173.9025 2.986974 3671.406       125.6703 3654.359       177.1125 3688.691       178.3433 173.4967 4.219448 174.3083 4.228987 -0.8116455     5.973949 
1 1 1 26  20 2  o 201.1986 3.177213 4914.256       154.5596 4804.102       213.9887 5034.400       223.4806 198.8524 4.447929 203.5449 4.538134 -4.692520      6.354426 
1 1 1 26  20 3  o 163.3116 4.120954 3239.740       162.8235 3239.740       162.8235 0.000000       0.000000 163.3116 4.120954 ?        ?        ?              ?        
1 1 1 26  20 4  o 86.63268 3.028609 909.4817       63.27451 1018.799       92.26952 812.4377       86.93581 91.54186 4.166162 81.72350 4.396929 9.818359       6.057218 
1 1 1 26  20 5  o 57.85278 3.715045 408.6895       51.95079 410.8883       75.18311 406.6803       71.86800 57.99052 5.358718 57.71504 5.146882 0.2754822      7.430091 
1 1 1 26  20 6  o 43.51463 4.958960 247.3601       48.50590 158.4790       69.57050 331.4379       67.66459 35.00451 8.334573 52.02475 5.375875 -17.02024      9.917920 
1 1 1 26  20 7  o 124.2313 5.656756 1897.680       170.0203 1897.680       170.0203 0.000000       0.000000 124.2313 5.656756 ?        ?        ?              ?        
1 1 1 26  20 8  o 58.41653 4.092697 422.8657       57.57537 400.5710       84.10969 442.5239       78.97993 56.89469 6.110433 59.93836 5.446400 -3.043674      8.185393 
1 1 1 26  20 9  o 94.71475 3.093214 1101.152       70.80111 1163.264       100.2973 1039.459       99.95930 97.41390 4.255653 92.01561 4.490135 5.398293       6.186428 
1 1 1 26  20 10 o 77.88621 4.762129 748.9033       89.73544 748.9033       89.73544 0.000000       0.000000 77.88621 4.762129 ?        ?        ?              ?        
1 1 1 26  20 11 o 68.51887 3.830359 585.8233       63.43798 566.0724       87.44039 607.7717       92.17655 67.32098 5.368579 69.71676 5.464884 -2.395782      7.660718 
1 1 1 26  20 12 o 38.19610 6.162397 201.9450       55.66109 207.6393       77.02518 195.7215       80.52475 38.91327 8.425583 37.47892 8.995004 1.434349       12.32479 
1 1 1 26  20 13 o 23.46368 6.545686 56.26614       55.79911 82.66478       78.30533 29.03346       79.53269 25.50784 9.491703 21.41952 9.016185 4.088322       13.09137 
1 1 1 26  20 14 o 18.46235 5.841445 -38.71914      56.89009 -112.7422      76.55147 52.59441       85.02322 14.10376 6.880233 22.82094 9.442050 -8.717173      11.68289 
1 1 1 26  22 0  o 109.6871 2.900467 1463.212       76.94603 1516.502       109.8335 1411.848       107.8304 111.6532 4.065943 107.7210 4.137506 3.932159       5.800935 
1 1 1 26  22 1  o 97.80681 2.992103 1164.745       70.80134 1164.603       100.3970 1164.886       99.86156 97.79912 4.243104 97.81449 4.219810 -0.1537323E-01 5.984206 
1 1 1 26  22 2  o 112.7066 2.827707 1541.052       76.96309 1639.945       113.0818 1455.715       105.0464 116.0582 4.027307 109.3549 3.970455 6.703209       5.655414 
1 1 1 26  22 3  o 51.74607 4.353528 328.0745       53.69090 410.6862       78.91473 256.8763       73.26089 57.85727 5.637647 45.63487 6.635492 12.22240       8.707056 
1 1 1 26  22 4  o 116.9872 2.865307 1667.581       81.05122 1593.779       112.7537 1746.490       116.5900 114.3056 4.077188 119.6688 4.026969 -5.363136      5.730614 
1 1 1 26  22 5  o 43.60618 5.056925 235.8945       51.68298 288.2866       78.63470 196.0497       68.57515 48.19305 6.744155 39.01930 7.536997 9.173748       10.11385 
1 1 1 26  22 6  o 62.62774 3.852053 485.1539       58.14230 461.8571       84.68290 505.9301       79.97055 61.13880 5.725013 64.11668 5.155334 -2.977875      7.704105 
1 1 1 26  22 7  o 97.13339 3.181706 1159.035       74.75352 1185.665       105.6204 1132.307       105.8147 98.27003 4.442470 95.99676 4.556038 2.273277       6.363413 
1 1 1 26  22 8  o 141.0550 3.015057 2446.515       102.8538 2460.312       143.7331 2432.035       147.2450 141.4971 4.198625 140.6129 4.328259 0.8841858      6.030114 
1 1 1 26  22 9  o 72.81238 3.646639 662.2356       63.96470 699.0245       88.25259 621.5216       92.84125 75.06485 4.859465 70.55990 5.438519 4.504951       7.293277 
1 1 1 26  22 10 o 26.27948 6.533822 67.43430       57.68520 152.8345       84.53749 -6.976734      78.91120 33.03808 9.840784 19.52088 8.597807 13.51719       13.06764 
1 1 1 26  22 11 o 64.12496 4.229278 527.2257       65.48682 547.4638       91.16376 505.6481       94.13229 65.53228 5.749958 62.71765 6.203639 2.814632       8.458555 
1 1 1 26  22 12 o 32.09991 7.139609 156.4944       62.04183 166.9619       84.62800 144.3316       91.22356 33.28261 9.829965 30.91720 10.35702 2.365404       14.27922 
1 1 1 26  22 13 o 16.85796 5.537275 -52.07811      57.29710 7.397824       76.22834 -129.3219      86.87154 18.99751 8.404512 14.71840 7.211783 4.279117       11.07455 
1 1 1 26  24 0  o 181.4375 3.096191 4010.256       135.6253 4305.494       199.7052 3757.525       184.7705 187.6001 4.400013 175.2748 4.357232 12.32529       6.192381 
1 1 1 26  24 1  o 72.09702 3.572137 625.8503       61.25079 814.0156       93.45353 484.1510       81.09792 81.47459 4.741014 62.71944 5.344477 18.75515       7.144274 
1 1 1 26  24 2  o 54.38213 4.338486 362.6266       56.60612 435.3171       84.50019 303.4505       76.24158 59.32583 5.887238 49.43843 6.374188 9.887394       8.676972 
1 1 1 26  24 3  o 53.38448 4.467550 353.9696       57.24224 357.7471       86.73259 351.0544       76.19312 53.54731 6.694873 53.22164 5.917322 0.3256721      8.935101 
1 1 1 26  24 4  o 26.86426 6.665232 75.56521       55.05234 130.2602       84.77316 35.67633       72.39533 31.57695 9.942702 22.15157 8.879410 9.425385       13.33046 
1 1 1 26  24 5  o 30.18413 6.606090 116.4099       53.26366 147.7467       80.91431 92.44751       70.75596 33.18383 9.558378 27.18443 9.121354 5.999393       13.21218 
1 1 1 26  24 6  o 164.7980 3.040138 3345.146       121.2046 3310.170       170.2221 3381.114       172.6214 163.9295 4.291969 165.6665 4.306828 -1.737061      6.080276 
1 1 1 26  24 7  o 86.89012 3.401552 935.4203       71.26575 833.9885       98.46143 1047.026       103.2812 81.87800 4.970460 91.90224 4.645078 -10.02424      6.803104 
1 1 1 26  24 8  o 51.69341 7.158312 436.9497       80.34641 220.1071       141.7403 539.6164       97.52946 38.25593 12.90959 65.13087 6.189373 -26.87494      14.31662 
1 1 1 26  24 9  o 48.94005 5.837376 322.4510       67.01772 269.1757       91.08079 385.3474       98.96397 43.88774 8.882756 53.99236 7.576046 -10.10461      11.67475 
1 1 1 26  24 10 o 41.02232 6.558980 238.4489       63.84848 176.4058       84.03325 323.1826       98.20476 34.42246 9.683523 47.62218 8.849308 -13.19972      13.11796 
1 1 1 26  24 11 o 33.64520 8.585392 195.2106       87.97797 215.5860       141.5718 182.3914       112.2936 34.42036 12.77154 32.87003 11.47709 1.550323       17.17078 
1 1 1 26  26 0  o 76.64784 3.657047 726.6317       67.74552 762.8115       98.54210 694.2078       93.28702 78.44611 5.192161 74.84958 5.151451 3.596527       7.314095 
1 1 1 26  26 1  o 83.70753 3.474951 862.1942       70.02660 991.8242       103.0191 750.8533       95.47565 89.58363 4.753210 77.83144 5.070318 11.75218       6.949902 
1 1 1 26  26 2  o 20.33905 6.111863 6.665148       53.85980 -29.75197      80.21554 36.56101       72.67938 18.64121 8.406205 22.03689 8.874411 -3.395681      12.22373 
1 1 1 26  26 3  o 44.02617 5.721119 246.1299       58.68473 343.1540       91.82371 179.1369       76.30094 51.74776 7.334339 36.30457 8.782498 15.44319       11.44224 
1 1 1 26  26 4  o 30.10830 6.840892 123.1181       56.51177 109.6705       87.68525 132.6719       73.90855 29.07100 10.14235 31.14559 9.182807 -2.074585      13.68178 
1 1 1 26  26 5  o 28.21275 6.839872 99.73616       58.24869 146.9204       84.79937 57.58477       80.14934 32.38350 9.903301 24.04200 9.437163 8.341501       13.67974 
1 1 1 26  26 6  o 56.10184 6.189575 389.8831       78.20043 619.2742       134.5739 272.9328       96.08887 68.15357 8.161496 44.05011 9.307704 24.10347       12.37915 
1 1 1 26  26 7  o 56.86525 6.442719 472.3136       80.60724 370.3748       128.9018 537.7751       103.2958 49.55237 11.03527 64.17813 6.652626 -14.62576      12.88544 
1 1 1 27  1  0  o 220.7379 3.172094 5894.784       169.3821 5962.194       241.9556 5829.998       237.2001 221.9749 4.505360 219.5008 4.466593 2.474106       6.344188 
1 1 1 27  1  1  o 661.7625 11.63307 53193.77       1862.492 53337.30       2640.935 53051.75       2627.044 662.6470 16.47302 660.8779 16.43024 1.769104       23.26613 
1 1 1 27  1  2  o 174.6646 2.737643 3678.526       115.4706 3911.008       169.7164 3478.154       157.5605 179.7845 3.901838 169.5446 3.841148 10.23988       5.475286 
1 1 1 27  1  3  o 231.3350 3.273046 6475.663       183.1747 6545.342       260.9348 6407.963       257.2018 232.5615 4.637584 230.1084 4.619972 2.453140       6.546093 
1 1 1 27  1  4  o 326.5317 4.308282 12901.54       340.1446 12647.17       471.1854 13178.36       491.5339 323.1769 6.026278 329.8865 6.158665 -6.709595      8.616564 
1 1 1 27  1  5  o 378.0850 4.886066 17324.32       446.9366 17275.42       630.2298 17373.79       633.9140 377.5493 6.899585 378.6206 6.920282 -1.071320      9.772132 
1 1 1 27  1  6  o 248.4918 3.463227 7477.405       208.1854 7561.749       297.0468 7395.981       291.8590 249.8678 4.913741 247.1158 4.881691 2.752014       6.926454 
1 1 1 27  1  7  o 161.2446 2.646337 3147.619       103.2321 3176.766       146.7954 3119.102       145.2021 161.9830 3.745768 160.5063 3.739200 1.476639       5.292674 
1 1 1 27  1  8  o 185.9862 3.283424 4323.599       131.7240 4498.481       156.2575 3894.111       244.8744 192.7612 3.350572 179.2112 5.647758 13.55005       6.566849 
1 1 1 27  1  9  o 321.0342 4.923661 12464.17       329.0857 12412.73       378.5172 12623.44       666.0365 320.0111 4.888981 322.0574 8.547959 -2.046326      9.847322 
1 1 1 27  1  10 f 165.5100 3.136811 3343.927       109.0867 3368.608       126.3941 3271.862       215.9762 166.7948 3.132145 164.2251 5.435807 2.569641       6.273622 
1 1 1 27  1  11 o 94.47578 2.969561 1101.551       57.78799 1119.936       66.48387 1044.735       116.8721 96.17138 2.857381 92.78020 5.206586 3.391182       5.939122 
1 1 1 27  1  12 o 176.6771 3.269276 3804.263       120.9006 3818.411       139.6982 3762.046       241.3132 177.5011 3.253025 175.8530 5.671904 1.648117       6.538552 
1 1 1 27  1  13 o 53.79785 3.244256 352.5862       42.15083 332.7047       60.11975 371.8078       59.11355 52.29326 4.751920 55.30244 4.418150 -3.009174      6.488513 
1 1 1 27  1  14 o 29.61038 5.387201 112.5270       38.82327 109.4702       54.48833 115.6789       55.33013 29.21194 7.627372 30.00881 7.609923 -0.7968750     10.77440 
1 1 1 27  1  15 o 67.04258 3.068243 549.5040       49.76378 543.0731       69.88881 556.1176       70.87478 66.64553 4.334453 67.43963 4.343844 -0.7940979     6.136487 
1 1 1 27  1  16 o 31.40115 5.468217 127.6600       42.73098 182.6504       62.33650 78.91559       58.68970 37.56738 7.119082 25.23492 8.302065 12.33245       10.93643 
1 1 1 27  1  17 o 30.60135 5.632792 125.0073       45.16076 62.87548       64.14483 186.0740       63.59266 23.58241 8.622893 37.62028 7.249767 -14.03786      11.26558 
1 1 1 27  1  18 o 19.05460 5.860919 1.975909       50.42733 5.078230       72.83200 -0.8807639     69.88904 19.41834 8.410272 18.69087 8.165096 0.7274704      11.72184 
1 1 1 27  1  19 o 46.70150 5.736769 314.5171       60.75383 514.8846       89.09263 140.3578       83.06184 62.89910 5.854571 30.50391 9.867425 32.39519       11.47354 
1 1 1 27  3  0  o 377.4428 6.897407 17245.91       629.8533 17245.91       629.8533 0.000000       0.000000 377.4428 6.897407 ?        ?        ?              ?        
1 1 1 27  3  1  o 486.5022 7.120784 28408.19       715.8865 28163.33       819.5093 29196.91       1470.823 482.3201 7.022895 490.6842 12.38956 -8.364136      14.24157 
1 1 1 27  3  2  o 250.1059 4.016993 7569.433       210.2717 7567.501       242.6614 7575.253       421.2708 250.0787 4.010715 250.1332 6.961257 -0.5455017E-01 8.033985 
1 1 1 27  3  3  o 746.2878 10.66440 67981.27       1678.285 68260.27       1946.921 67174.30       3311.050 750.2175 10.72652 742.3582 18.43529 7.859314       21.32881 
1 1 1 27  3  4  o 246.3446 3.971171 7471.460       208.4262 7613.802       244.0163 7087.448       400.7975 250.8154 4.021261 241.8738 6.849105 8.941635       7.942341 
1 1 1 27  3  5  o 410.3118 6.141651 20030.60       513.2287 19699.03       582.6932 21177.87       1083.876 403.2335 5.972843 417.3901 10.73334 -14.15668      12.28330 
1 1 1 27  3  6  o 331.0050 5.047440 13223.18       347.6203 13159.71       399.6174 13420.58       704.7425 329.6076 5.011237 332.4024 8.763225 -2.794861      10.09488 
1 1 1 27  3  7  o 81.05446 2.763526 778.4730       45.69656 764.3155       51.89264 827.3647       96.43397 79.46920 2.699011 82.63972 4.823240 -3.170525      5.527052 
1 1 1 27  3  8  o 309.8031 4.747072 11785.27       312.5779 11938.41       364.9381 11363.47       605.6435 313.8792 4.805675 305.7271 8.188057 8.152161       9.494144 
1 1 1 27  3  9  o 109.7413 2.746222 1404.873       61.80449 1359.986       70.12967 1560.976       130.7815 105.9967 2.734683 113.4858 4.763238 -7.489082      5.492443 
1 1 1 27  3  10 o 248.8634 4.063403 7352.916       206.2130 7217.012       234.1470 7822.725       435.3451 244.0635 3.965368 253.6632 7.093717 -9.599731      8.126805 
1 1 1 27  3  11 o 17.87902 5.384011 8.056999       34.67117 14.76238       38.68456 -19.32183      78.16878 16.16806 6.487307 19.58999 8.594483 -3.421934      10.76802 
1 1 1 27  3  12 o 27.98989 5.760453 90.25511       35.55872 85.56841       39.87152 108.4712       78.60607 25.98671 6.387061 29.99308 9.588364 -4.006365      11.52091 
1 1 1 27  3  13 o 146.3613 3.098680 2565.684       93.12318 2531.526       106.1969 2679.358       193.7287 144.4815 3.038067 148.2410 5.401613 -3.759430      6.197360 
1 1 1 27  3  14 o 151.6049 3.196253 2776.325       99.06274 2752.319       112.9022 2856.633       206.5004 150.5359 3.099988 152.6738 5.590545 -2.137863      6.392505 
1 1 1 27  3  15 o 46.81297 5.138231 278.2480       43.85146 278.6866       48.73590 276.3831       100.4961 47.74619 4.218986 45.87975 9.370478 1.866444       10.27646 
1 1 1 27  3  16 o 27.56700 4.585364 79.78146       41.63599 -45.27162      59.35735 200.9089       58.41825 14.96133 6.926423 40.17267 6.010568 -25.21134      9.170729 
1 1 1 27  3  17 o 37.98182 5.428661 191.9347       48.15622 209.5085       67.97268 174.2253       68.23442 39.91420 7.308219 36.04944 8.029408 3.864761       10.85732 
1 1 1 27  3  18 o 106.9156 2.907675 1419.229       75.21206 1418.919       106.2196 1419.541       106.5128 106.9074 4.106714 106.9237 4.117424 -0.1628113E-01 5.815349 
1 1 1 27  3  19 o 28.19746 6.529563 111.5795       57.59506 34.30768       83.87411 180.5272       79.22775 21.70241 9.203676 34.69252 9.264618 -12.99011      13.05913 
1 1 1 27  5  0  o 792.1604 11.30166 76422.87       1883.598 76615.14       2181.534 75859.61       3733.802 794.9680 11.34254 789.3528 19.55140 5.615112       22.60332 
1 1 1 27  5  1  o 271.3898 4.244868 9135.277       248.9469 9422.538       294.8672 8422.368       464.5210 279.0434 4.367696 263.7363 7.280031 15.30716       8.489737 
1 1 1 27  5  2  o 148.2203 2.999254 2604.938       91.21172 2558.922       103.8476 2760.262       190.7924 145.4291 2.951501 151.0115 5.222141 -5.582458      5.998509 
1 1 1 27  5  3  o 444.5443 6.600907 23509.71       598.3102 23129.61       679.6566 24818.56       1261.209 437.0068 6.428344 452.0819 11.53101 -15.07513      13.20181 
1 1 1 27  5  4  f 36.08324 4.706586 250.0778       35.15607 315.6996       39.61836 7.004164       76.25030 51.07579 3.206115 21.09069 8.850346 29.98509       9.413172 
1 1 1 27  5  5  o 26.00062 5.229997 89.26249       30.71154 97.93139       33.94376 50.13682       72.11223 27.98653 5.204689 24.01472 9.073185 3.971809       10.45999 
1 1 1 27  5  6  o 428.7271 6.297086 22624.17       576.1418 22957.44       674.5317 21725.16       1107.859 435.1165 6.407588 422.3376 10.84232 12.77887       12.59417 
1 1 1 27  5  7  o 264.1671 4.214850 8422.158       231.5679 8383.884       266.1650 8541.345       469.6900 263.1023 4.181422 265.2318 7.319532 -2.129547      8.429700 
1 1 1 27  5  8  o 209.4846 3.571657 5437.088       159.4839 5575.862       187.1075 5068.412       304.9713 214.5841 3.604055 204.3851 6.167473 10.19896       7.143314 
1 1 1 27  5  9  o 119.3486 2.910406 1739.431       70.83820 1751.410       80.92876 1700.178       146.4954 120.2837 2.780954 118.4135 5.113526 1.870186       5.820812 
1 1 1 27  5  10 o 156.1382 3.131434 2933.196       100.3356 2913.820       114.5562 2997.025       207.9244 155.1244 3.052363 157.1519 5.468693 -2.027466      6.262869 
1 1 1 27  5  11 o 110.4527 3.081285 1489.056       67.48429 1496.106       76.19916 1463.415       145.3179 111.1476 2.833660 109.7578 5.472444 1.389793       6.162570 
1 1 1 27  5  12 o 128.0006 3.136683 2068.290       81.52168 2139.735       93.67680 1845.330       165.4856 132.8817 2.913833 123.1195 5.555601 9.762146       6.273366 
1 1 1 27  5  13 o 116.6076 3.029898 1584.760       71.16409 1532.132       80.13689 1781.083       154.7777 112.3920 2.947100 120.8231 5.294878 -8.431160      6.059797 
1 1 1 27  5  14 o 34.04852 5.816221 180.2939       42.27805 205.1495       46.45555 60.44022       102.0119 40.97380 4.686289 27.12324 10.64671 13.85056       11.63244 
1 1 1 27  5  15 o 102.5856 3.495667 1404.160       69.61787 1495.086       79.44707 1103.391       144.4946 110.8629 2.962029 94.30820 6.332861 16.55474       6.991333 
1 1 1 27  5  16 o 102.0879 3.516494 1335.616       69.29231 1370.315       78.04506 1206.425       150.5919 106.0076 3.043029 98.16820 6.340574 7.839394       7.032987 
1 1 1 27  5  17 o 30.96584 6.713040 53.58423       47.43414 11.90998       51.51726 285.6633       121.5729 17.41311 7.289001 44.51856 11.27520 -27.10544      13.42608 
1 1 1 27  5  18 o 25.62508 6.694258 85.83085       53.27832 106.9734       58.41885 -18.69126      129.8908 27.81851 8.153299 23.43165 10.61961 4.386854       13.38852 
1 1 1 27  5  19 o 34.94639 6.738505 188.0840       58.60876 196.6509       81.86398 179.0758       83.94582 35.93409 9.332891 33.95869 9.722497 1.975407       13.47701 
1 1 1 27  7  0  o 279.9679 3.810388 9486.283       258.0694 9388.821       361.8602 9587.163       368.1516 278.5053 5.370381 281.4305 5.406962 -2.925171      7.620776 
1 1 1 27  7  1  o 162.2844 2.701227 3186.004       106.0324 3141.402       148.0205 3233.014       151.9621 161.1186 3.797292 163.4503 3.842796 -2.331711      5.402453 
1 1 1 27  7  2  o 76.00297 2.516947 696.1941       46.14818 626.9507       63.24004 775.0670       67.49426 71.97642 3.631613 80.02952 3.485895 -8.053101      5.033893 
1 1 1 27  7  3  f 70.99000 3.539648 609.9312       60.79383 609.9312       60.79383 0.000000       0.000000 70.99000 3.539648 ?        ?        ?              ?        
1 1 1 27  7  4  o 322.7847 5.294103 12367.20       379.0977 11980.00       450.0218 13313.50       703.5242 314.4326 5.915666 331.1367 8.781514 -16.70407      10.58821 
1 1 1 27  7  5  o 108.5203 3.022178 1530.393       66.90211 1636.270       77.81145 1230.220       131.0176 116.2779 2.765948 100.7628 5.374363 15.51511       6.044357 
1 1 1 27  7  6  o 335.6864 5.118611 13694.52       359.8271 13710.51       415.5973 13646.64       719.1111 336.3694 5.106860 335.0034 8.872469 1.365997       10.23722 
1 1 1 27  7  7  o 367.9338 5.541604 16468.42       427.1756 16485.03       493.5101 16418.80       853.0550 368.7297 5.532044 367.1380 9.603851 1.591675       11.08321 
1 1 1 27  7  8  o 100.1304 3.046306 1261.824       61.40197 1302.582       70.25111 1129.923       126.3774 103.7341 2.799170 96.52676 5.411522 7.207375       6.092612 
1 1 1 27  7  9  o 29.95395 5.208664 140.6184       35.28996 165.8849       38.73558 17.25164       85.59275 36.99728 4.327509 22.91063 9.475939 14.08665       10.41733 
1 1 1 27  7  10 o 70.97144 3.710389 657.7563       49.96959 690.2298       56.29190 537.0613       108.5240 75.49401 3.081989 66.44885 6.750504 9.045158       7.420779 
1 1 1 27  7  11 o 131.5771 3.108916 1973.957       79.68416 1893.390       88.47430 2320.048       183.3715 125.0172 2.925128 138.1369 5.486807 -13.11969      6.217832 
1 1 1 27  7  12 o 19.23535 5.260358 27.92254       36.80122 57.44878       40.10051 -129.6847      92.64754 21.78484 6.834909 16.68585 7.998092 5.098988       10.52072 
1 1 1 27  7  13 o 73.27444 3.764568 661.0156       50.27850 663.5895       55.31499 648.7805       120.5986 73.93627 3.092309 72.61261 6.864803 1.323662       7.529137 
1 1 1 27  7  14 o 101.2208 3.495292 1270.852       66.59197 1280.396       74.00096 1230.220       152.6856 102.6415 2.979971 99.80003 6.323609 2.841476       6.990584 
1 1 1 27  7  15 o 52.41153 6.250529 407.1471       48.64527 424.9962       52.21127 289.7085       133.9252 58.99396 3.658090 45.82910 11.95386 13.16486       12.50106 
1 1 1 27  7  16 f 109.0910 3.469391 1460.597       73.46357 1452.085       82.20717 1494.349       163.6942 109.0503 3.115878 109.1316 6.199839 -0.8125305E-01 6.938782 
1 1 1 27  7  17 o 19.13944 5.946607 4.664084       48.29116 32.48478       52.33760 -154.6698      125.2518 19.33581 7.614470 18.94307 9.136104 0.3927383      11.89321 
1 1 1 27  7  18 o 18.39144 6.022409 -16.82067      51.02225 1.369000       55.28337 -121.3563      132.5300 16.77818 7.297044 20.00469 9.582838 -3.226505      12.04482 
1 1 1 27  7  19 o 33.19053 7.629167 172.5945       60.03163 166.1757       65.57285 205.8299       149.2103 33.47756 8.168275 32.90350 12.88782 0.5740623      15.25833 
1 1 1 27  9  0  o 266.2538 3.678835 8582.918       236.9594 8524.444       332.6161 8643.179       337.6634 265.3341 5.181409 267.1735 5.223821 -1.839447      7.357670 
1 1 1 27  9  1  o 235.6480 3.363621 6717.259       191.6481 6557.775       265.4031 6891.026       277.0335 232.7298 4.713588 238.5661 4.799779 -5.836243      6.727243 
1 1 1 27  9  2  o 134.0453 2.547067 2173.965       82.58168 2136.488       115.2073 2213.572       118.4359 132.8580 3.584182 135.2327 3.619922 -2.374710      5.094133 
1 1 1 27  9  3  o 215.8276 3.167794 5637.104       165.3499 5772.233       237.8555 5510.730       230.0212 218.3279 4.502997 213.3273 4.456758 5.000595       6.335588 
1 1 1 27  9  4  o 151.0229 2.647645 2757.480       96.67046 2655.396       133.7075 2869.287       139.9300 148.0987 3.731662 153.9470 3.756966 -5.848297      5.295290 
1 1 1 27  9  5  o 125.5586 2.521650 1907.439       76.57401 1860.809       106.5912 1957.169       110.0769 123.9743 3.553754 127.1429 3.578507 -3.168663      5.043301 
1 1 1 27  9  6  o 148.2173 2.638193 2655.040       94.50919 2809.042       137.0805 2515.518       130.4763 152.3062 3.720110 144.1284 3.741795 8.177811       5.276386 
1 1 1 27  9  7  o 105.3978 2.454159 1345.151       62.57860 1346.032       88.82764 1344.283       88.17498 105.4317 3.482368 105.3639 3.459004 0.6779480E-01  4.908319 
1 1 1 27  9  8  o 140.5030 3.307251 2445.885       105.0445 2550.652       129.0675 2240.333       180.7857 145.1140 3.676252 135.8920 5.498801 9.222015       6.614502 
1 1 1 27  9  9  o 241.9119 4.041541 7007.935       200.1188 6924.459       227.9516 7288.519       417.9219 239.0446 3.941498 244.7793 7.056968 -5.734650      8.083081 
1 1 1 27  9  10 o 259.2157 4.219182 8296.692       231.0906 8434.650       269.2452 7910.768       450.3253 263.7099 4.220067 254.7215 7.307326 8.988419       8.438363 
1 1 1 27  9  11 o 184.3190 3.500326 4319.018       136.3330 4543.022       160.4400 3737.061       258.6009 193.5550 3.426147 175.0831 6.104968 18.47183       7.000651 
1 1 1 27  9  12 o 103.1712 3.565273 1333.279       66.90804 1352.671       73.76669 1243.308       158.8953 105.6112 2.887007 100.7311 6.519959 4.880104       7.130546 
1 1 1 27  9  13 o 98.45564 3.508032 1136.253       63.64374 1110.537       69.77738 1263.534       155.2383 95.61905 3.016254 101.2922 6.334617 -5.673195      7.016065 
1 1 1 27  9  14 o 30.06328 6.938461 92.85395       41.13250 86.85390       43.57976 141.8203       124.4963 25.95840 6.842299 34.16816 12.07277 -8.209768      13.87692 
1 1 1 27  9  15 o 17.06482 5.356658 -14.13966      43.22423 25.65155       45.95881 -318.9768      127.2065 18.13566 7.137440 15.99399 7.989500 2.141670       10.71332 
1 1 1 27  9  16 f 82.82481 4.008992 835.2236       60.44895 822.6329       66.26242 897.6800       147.5811 81.95453 3.341889 83.69508 7.288337 -1.740555      8.017984 
1 1 1 27  9  17 o 37.98815 6.827342 234.2440       54.58461 253.5314       58.97264 118.9173       144.2045 44.77796 5.443573 31.19834 12.52269 13.57962       13.65468 
1 1 1 27  9  18 o 29.83493 6.446703 153.8229       56.52544 187.0250       60.19667 -93.74182      164.3744 36.93060 6.993322 22.73926 10.83205 14.19134       12.89341 
1 1 1 27  9  19 o 43.49125 8.512486 221.7695       67.16035 166.0557       71.51814 637.5967       195.3849 32.36546 8.869975 54.61705 14.53180 -22.25159      17.02497 
1 1 1 27  11 0  o 342.6021 4.517769 14226.92       374.4419 14124.44       525.7145 14332.44       533.4518 341.3525 6.365676 343.8516 6.412419 -2.499023      9.035538 
1 1 1 27  11 1  o 270.0044 3.726184 8811.060       243.0083 9188.046       356.3424 8483.322       332.2520 275.3842 5.348428 264.6245 5.189616 10.75967       7.452369 
1 1 1 27  11 2  o 96.39461 2.566174 1123.776       59.80029 1188.131       85.95029 1063.394       83.25488 99.06773 3.586021 93.72148 3.671709 5.346245       5.132348 
1 1 1 27  11 3  o 268.6145 3.716305 8743.158       241.5014 8811.620       343.7298 8676.418       339.3808 269.6517 5.268799 267.5774 5.242465 2.074341       7.432610 
1 1 1 27  11 4  o 177.0328 2.861692 3785.194       122.3643 3620.483       167.2443 3974.937       179.5041 172.9023 3.998050 181.1633 4.095451 -8.261093      5.723384 
1 1 1 27  11 5  o 197.2167 3.035951 4692.070       144.4693 4454.942       195.7487 4975.753       214.1038 191.7717 4.219025 202.6617 4.366672 -10.88994      6.071902 
1 1 1 27  11 6  o 268.3799 3.717847 8694.630       240.6691 8259.379       325.2643 9221.217       357.7677 261.0035 5.150956 275.7564 5.362574 -14.75287      7.435694 
1 1 1 27  11 7  o 161.5705 2.777999 3162.502       108.5904 3182.827       153.9626 3142.382       153.1804 162.0872 3.926125 161.0538 3.931242 1.033447       5.555999 
1 1 1 27  11 8  o 97.67946 3.783692 1156.034       89.41725 0.000000       0.000000 1156.034       89.41725 ?        ?        97.67946 3.783692 ?              ?        
1 1 1 27  11 9  o 188.0403 2.991517 4284.434       135.9985 4193.442       188.1024 4384.094       196.8581 185.9558 4.181021 190.1247 4.279691 -4.168930      5.983034 
1 1 1 27  11 10 o 26.15969 6.339283 79.34433       40.50708 87.51215       43.69830 29.47055       107.9811 26.28936 6.814213 26.03003 10.69170 0.2593307      12.67857 
1 1 1 27  11 11 o 106.2954 3.459684 1280.513       67.43357 1233.506       73.59578 1526.472       168.3473 100.8534 3.016199 111.7375 6.227375 -10.88408      6.919368 
1 1 1 27  11 12 o 84.27632 3.952618 866.2020       58.35863 864.4812       63.50311 875.5503       148.0116 84.37109 3.110993 84.18155 7.267357 0.1895370      7.905236 
1 1 1 27  11 13 o 71.20871 4.386562 595.4114       54.27275 582.2696       58.69305 672.9327       142.5507 69.14178 3.508680 73.27564 8.040949 -4.133865      8.773124 
1 1 1 27  11 14 f 63.35822 5.596327 554.4800       54.10196 570.4873       58.34987 456.3950       144.4381 68.36240 3.527933 58.35403 10.62211 10.00837       11.19265 
1 1 1 27  11 15 o 76.58629 4.357599 729.2427       59.01557 726.1146       64.40311 745.6276       147.3966 77.02448 3.456016 76.14809 8.000664 0.8763885      8.715198 
1 1 1 27  11 16 o 47.55849 6.647623 265.1155       53.15292 247.5334       56.96828 383.3432       147.7261 44.41533 5.301489 50.70165 12.19253 -6.286320      13.29525 
1 1 1 27  11 17 o 20.57703 6.794724 -20.98340      52.21449 -25.43496      55.47994 13.52766       154.4752 15.06490 6.871173 26.08916 11.72434 -11.02425      13.58945 
1 1 1 27  11 18 o 35.18848 7.086056 227.3500       61.75312 245.8062       64.99651 56.14515       197.9594 42.85132 6.269364 27.52563 12.70999 15.32569       14.17211 
1 1 1 27  13 0  o 417.4219 5.378923 21150.17       543.0469 20838.18       756.6659 21481.54       779.8262 414.2608 7.549670 420.5830 7.663794 -6.322205      10.75785 
1 1 1 27  13 1  o 192.9131 3.012537 4499.288       140.4404 4675.979       204.7355 4342.258       193.0084 196.4811 4.306954 189.3452 4.213274 7.135880       6.025075 
1 1 1 27  13 2  o 508.0605 6.437620 31392.70       790.8658 30796.03       1096.715 32039.13       1141.538 503.0657 9.010869 513.0554 9.196523 -9.989746      12.87524 
1 1 1 27  13 3  o 409.3251 5.286704 20354.64       523.5159 20485.17       745.2592 20227.48       735.5627 410.6145 7.501892 408.0357 7.451080 2.578796       10.57341 
1 1 1 27  13 4  o 182.6946 2.936425 4033.616       129.6055 3865.216       177.5622 4225.643       189.6101 178.6261 4.108690 186.7631 4.196313 -8.137054      5.872850 
1 1 1 27  13 5  o 90.38934 2.738058 989.6285       59.87217 971.5508       84.33987 1007.994       85.00816 89.55659 3.892540 91.22208 3.851752 -1.665489      5.476117 
1 1 1 27  13 6  o 157.9279 2.785881 3021.439       106.4310 3090.485       151.3549 2953.903       149.6912 159.7138 3.916982 156.1419 3.962548 3.571899       5.571763 
1 1 1 27  13 7  o 166.7078 2.863552 3366.680       115.4385 3518.982       165.1303 3221.107       161.4415 170.3969 4.005557 163.0188 4.093317 7.378128       5.727105 
1 1 1 27  13 8  o 238.6346 3.451919 6912.396       199.2718 6858.410       279.2896 6968.377       284.4056 237.6900 4.856704 239.5793 4.906668 -1.889297      6.903837 
1 1 1 27  13 9  o 232.7827 3.383880 6568.858       190.2341 6324.827       259.7550 6851.153       279.3788 228.1492 4.705899 237.4163 4.863855 -9.267044      6.767759 
1 1 1 27  13 10 o 87.68007 2.783337 936.4398       58.78460 1038.717       83.23367 834.6514       83.03464 92.48953 3.719667 82.87061 4.141488 9.618919       5.566673 
1 1 1 27  13 11 o 39.07947 4.436472 187.5796       41.94091 188.0904       59.80694 187.0854       58.83189 39.12767 6.317791 39.03126 6.230142 0.9641647E-01  8.872945 
1 1 1 27  13 12 o 147.3765 3.455755 2667.757       100.8731 2673.048       113.8429 2648.424       217.6113 148.2532 3.173947 146.4998 6.139628 1.753403       6.911510 
1 1 1 27  13 13 o 79.28230 4.113197 733.2314       59.60736 710.6760       65.13322 849.4944       147.8764 76.32021 3.527449 82.24439 7.431734 -5.924187      8.226395 
1 1 1 27  13 14 o 54.66550 6.211392 377.9952       53.94062 372.8579       57.91030 411.6597       148.2430 55.04559 4.348415 54.28542 11.63687 0.7601700      12.42278 
1 1 1 27  13 15 o 70.15173 4.638420 498.3615       57.36950 447.9852       61.44998 840.3331       160.1045 60.20823 4.218554 80.09525 8.262177 -19.88702      9.276840 
1 1 1 27  13 16 o 85.02831 4.697313 911.8334       70.24849 899.9331       76.53356 975.4908       177.0098 85.29377 3.708791 84.76284 8.631563 0.5309296      9.394627 
1 1 1 27  13 17 o 44.46534 7.504701 346.5673       63.90741 362.2364       68.58504 243.3076       176.0648 52.97242 5.351522 35.95826 14.02296 17.01416       15.00940 
1 1 1 27  15 0  f 131.6532 2.736353 2097.326       87.10368 1997.751       121.3199 2203.263       125.1351 128.4296 3.904491 134.8768 3.834771 -6.447174      5.472707 
1 1 1 27  15 1  f 256.1312 3.621360 7929.536       223.9619 8323.137       329.6487 7592.110       305.2200 262.0079 5.200374 250.2545 5.041141 11.75345       7.242720 
1 1 1 27  15 2  o 410.9764 5.319498 20517.71       528.6135 20111.20       732.6921 20959.02       763.3978 406.7548 7.445375 415.1980 7.599646 -8.443237      10.63900 
1 1 1 27  15 3  o 164.0660 4.061454 3261.262       161.2139 3261.262       161.2139 0.000000       0.000000 164.0660 4.061454 ?        ?        ?              ?        
1 1 1 27  15 4  o 79.71233 4.230541 770.0276       81.58753 770.0276       81.58753 0.000000       0.000000 79.71233 4.230541 ?        ?        ?              ?        
1 1 1 27  15 5  o 157.7902 2.823618 3016.288       107.7745 3080.425       154.0563 2954.811       150.8274 159.4324 3.993930 156.1480 3.992467 3.284378       5.647236 
1 1 1 27  15 6  o 79.58330 3.038751 769.5314       58.23222 863.5036       82.94057 678.1765       81.77734 84.39457 4.062097 74.77202 4.520553 9.622551       6.077502 
1 1 1 27  15 7  f 158.5915 2.837841 3051.975       108.8420 3144.930       153.7070 2958.488       154.1456 161.0217 3.945545 156.1613 4.079956 4.860443       5.675682 
1 1 1 27  15 8  o 100.1918 4.031898 1218.697       97.73367 0.000000       0.000000 1218.697       97.73367 ?        ?        100.1918 4.031898 ?              ?        
1 1 1 27  15 9  o 105.5315 2.788683 1351.911       71.10290 1326.038       97.64692 1381.112       103.7387 104.4677 3.863440 106.5953 4.022541 -2.127602      5.577365 
1 1 1 27  15 10 o 119.4858 2.714050 1735.954       78.41094 1695.710       108.6250 1779.739       113.3025 118.0476 3.803384 120.9240 3.872796 -2.876404      5.428101 
1 1 1 27  15 11 o 162.8199 2.888015 3235.834       113.7622 3268.084       161.1946 3203.831       160.5753 163.6326 4.071724 162.0072 4.096777 1.625443       5.776030 
1 1 1 27  15 12 o 51.59995 4.016756 326.6728       49.87018 283.2139       67.56828 378.6753       73.91206 47.82775 5.839297 55.37215 5.517237 -7.544395      8.033511 
1 1 1 27  15 13 o 34.68248 7.138409 175.6478       59.00124 194.9566       65.08855 86.66270       139.7285 38.70854 7.215634 30.65643 12.31918 8.052109       14.27682 
1 1 1 27  15 14 o 35.00323 7.617460 136.1148       52.74648 121.3209       56.52031 235.9310       146.8126 30.07721 7.726289 39.92926 13.13039 -9.852055      15.23492 
1 1 1 27  15 15 o 28.07114 7.986582 22.21097       52.26286 -0.6737652     54.80233 252.1118       173.6986 16.71689 7.267799 39.42539 14.22396 -22.70850      15.97316 
1 1 1 27  15 16 o 68.71606 5.908204 557.4626       65.96118 523.9315       70.18845 810.9459       192.9816 64.41717 4.503620 73.01495 10.92451 -8.597778      11.81641 
1 1 1 27  15 17 o 29.33833 8.655604 93.42489       65.71443 68.12990       69.13109 330.5175       211.6485 22.58629 8.792852 36.09036 14.91186 -13.50407      17.31121 
1 1 1 27  17 0  o 263.3001 5.240171 8409.604       333.8095 8409.604       333.8095 0.000000       0.000000 263.3001 5.240171 ?        ?        ?              ?        
1 1 1 27  17 1  o 79.29962 4.513016 762.3315       86.58452 762.3315       86.58452 0.000000       0.000000 79.29962 4.513016 ?        ?        ?              ?        
1 1 1 27  17 2  o 320.2914 4.306221 12456.22       333.5898 12669.85       478.9773 12254.98       464.8732 322.9482 6.130271 317.6345 6.049293 5.313782       8.612442 
1 1 1 27  17 3  o 134.4402 3.969049 2190.676       129.0975 0.000000       0.000000 2190.676       129.0975 ?        ?        134.4402 3.969049 ?              ?        
1 1 1 27  17 4  o 137.1954 2.804430 2282.139       93.07477 2328.259       131.8381 2236.313       131.4181 138.5800 3.932223 135.8109 3.999617 2.769104       5.608860 
1 1 1 27  17 5  o 102.2742 2.811762 1267.436       69.53567 1223.035       96.46893 1315.452       100.3207 100.4122 3.970988 104.1361 3.981869 -3.723877      5.623524 
1 1 1 27  17 6  o 231.2965 3.409719 6502.733       190.7683 6476.084       266.9363 6530.551       272.7314 230.8220 4.780002 231.7710 4.863776 -0.9489899     6.819438 
1 1 1 27  17 7  o 121.8687 2.769535 1803.983       81.65154 1833.800       115.6195 1774.317       115.3265 122.8768 3.889187 120.8606 3.944048 2.016174       5.539069 
1 1 1 27  17 8  o 176.7018 2.972834 3800.438       127.0892 3826.226       180.1422 3774.883       179.3232 177.2998 4.199571 176.1039 4.208869 1.195969       5.945668 
1 1 1 27  17 9  o 87.86568 2.986899 942.4342       63.24850 1050.488       90.34286 838.5632       88.57706 92.84321 4.021994 82.88814 4.416992 9.955070       5.973797 
1 1 1 27  17 10 o 89.63692 3.015695 982.5522       65.37864 1000.821       91.91029 963.8398       93.01838 90.49524 4.197939 88.77859 4.330701 1.716652       6.031390 
1 1 1 27  17 11 o 50.71973 4.273876 320.8932       51.86587 330.5994       69.10876 308.3760       78.48065 51.70957 5.524079 49.72990 6.522930 1.979671       8.547752 
1 1 1 27  17 12 o 60.84416 3.855797 459.1581       56.69986 434.7644       78.22488 486.1608       82.30180 59.14077 5.467083 62.54755 5.438721 -3.406773      7.711594 
1 1 1 27  17 13 o 73.34811 3.414089 668.7610       60.58110 665.7484       85.11121 671.8548       86.24934 73.18952 4.806573 73.50669 4.849831 -0.3171692     6.828177 
1 1 1 27  17 14 o 36.85294 5.555975 184.1033       51.33697 300.0227       75.04034 82.11798       70.38586 48.28680 6.423387 25.41909 9.067280 22.86771       11.11195 
1 1 1 27  17 15 o 22.87735 7.198817 27.84688       58.20858 30.93268       62.06777 5.321832       167.6929 19.72991 8.105213 26.02480 11.89947 -6.294893      14.39763 
1 1 1 27  17 16 o 27.54123 7.214005 126.6730       64.04015 148.8239       67.75672 -58.78644      196.0564 31.11014 8.675454 23.97233 11.52840 7.137804       14.42801 
1 1 1 27  19 1  o 37.48003 5.449244 173.7948       48.64936 217.0549       71.45325 136.4113       66.42298 42.18958 7.000266 32.77048 8.353042 9.419102       10.89849 
1 1 1 27  19 2  o 81.60551 3.123820 808.1564       61.64155 846.1817       88.05296 771.6118       86.32147 83.49109 4.359147 79.71993 4.475583 3.771156       6.247640 
1 1 1 27  19 3  o 88.60374 3.043774 954.7020       65.14505 1004.938       91.46721 902.9855       92.80540 90.98418 4.155250 86.22330 4.448835 4.760880       6.087548 
1 1 1 27  19 4  o 68.28714 3.423234 568.1983       56.44473 545.7560       81.35310 589.0300       78.37971 66.97053 5.020975 69.60376 4.654453 -2.633232      6.846468 
1 1 1 27  19 5  o 136.2098 2.798649 2253.905       92.20493 2324.596       131.3118 2185.150       129.5020 138.3213 3.923849 134.0983 3.991636 4.223083       5.597298 
1 1 1 27  19 6  o 65.93843 3.358454 530.6201       53.51680 518.1442       76.96363 542.2996       74.46648 65.17268 4.881100 66.70419 4.614296 -1.531509      6.716908 
1 1 1 27  19 7  o 125.0136 3.893447 2024.738       106.7155 2213.079       130.1487 1638.311       186.4238 134.7843 3.991152 115.2429 6.686287 19.54140       7.786895 
1 1 1 27  19 8  o 81.47897 3.249779 812.0875       64.04598 838.1685       91.30273 786.8221       89.86382 82.77393 4.559193 80.18403 4.632278 2.589897       6.499557 
1 1 1 27  19 9  o 91.50533 3.107533 1027.190       68.66172 1054.750       95.00855 997.0601       99.34094 92.83401 4.230126 90.17665 4.553359 2.657356       6.215065 
1 1 1 27  19 10 o 89.37085 3.227949 982.0032       69.68148 1059.206       99.71830 908.3318       97.41119 92.84228 4.439425 85.89942 4.687231 6.942856       6.455899 
1 1 1 27  19 11 o 42.57762 5.674443 245.3144       55.99240 311.7667       77.01685 170.8136       81.54768 49.75333 6.398251 35.40190 9.373345 14.35143       11.34889 
1 1 1 27  19 12 o 57.90919 4.224818 424.7553       59.06498 442.0172       82.14265 406.2753       84.99117 59.22919 5.732322 56.58920 6.207803 2.639988       8.449636 
1 1 1 27  19 13 o 73.75375 3.591716 682.9244       63.95810 641.1443       87.15880 731.6713       94.14555 71.33646 5.050069 76.17103 5.108667 -4.834564      7.183431 
1 1 1 27  19 14 o 29.84703 6.168868 113.9884       54.45904 26.81127       72.75383 225.0806       82.12900 20.36537 8.600618 39.32869 8.845852 -18.96332      12.33774 
1 1 1 27  19 15 o 19.06840 5.979427 -2.605528      58.51881 48.90601       75.87093 -78.24992      91.94149 21.47145 8.904453 16.66535 7.982788 4.806097       11.95885 
1 1 1 27  21 0  o 76.35376 3.304581 709.1237       61.02194 703.1817       84.99117 715.4456       87.66715 76.02864 4.620556 76.67889 4.725620 -0.6502457     6.609162 
1 1 1 27  21 1  o 159.9316 2.912454 3108.774       112.6654 3093.504       157.4391 3124.802       161.2968 159.5366 4.078966 160.3267 4.158317 -0.7901154     5.824908 
1 1 1 27  21 2  o 121.6664 2.833036 1798.306       83.34689 1757.041       115.5706 1843.026       120.3130 120.2182 3.973513 123.1145 4.039253 -2.896255      5.666072 
1 1 1 27  21 3  o 153.9778 2.895298 2882.153       107.7950 3011.669       155.3499 2761.890       149.6974 157.3130 4.081728 150.6426 4.107372 6.670410       5.790597 
1 1 1 27  21 4  o 82.48110 3.129814 828.8840       62.42514 859.7964       89.94408 800.1548       86.70969 83.96311 4.427736 80.99909 4.424714 2.964020       6.259628 
1 1 1 27  21 5  o 169.2592 2.975829 3491.097       121.7770 3667.446       175.5737 3327.613       169.0489 173.3809 4.185582 165.1374 4.231209 8.243454       5.951657 
1 1 1 27  21 6  o 109.2989 2.852823 1439.262       74.89653 1696.656       113.0997 1238.226       99.95370 117.9049 3.964857 100.6929 4.102964 17.21198       5.705647 
1 1 1 27  21 7  o 58.33993 4.302459 420.3546       60.45013 436.1269       90.54623 407.6718       81.19500 59.27045 6.314368 57.40941 5.845799 1.861038       8.604918 
1 1 1 27  21 8  o 69.42706 3.813566 595.7100       63.94265 548.3583       89.01628 646.1907       91.91027 66.53996 5.529484 72.31416 5.253375 -5.774200      7.627132 
1 1 1 27  21 9  o 42.76460 5.427842 236.2325       54.93532 217.5580       76.02892 256.6333       79.46553 40.58659 8.027087 44.94260 7.308333 -4.356010      10.85568 
1 1 1 27  21 10 o 26.24152 6.545285 78.93572       53.41368 41.53645       72.88097 122.3345       78.50935 22.33581 8.924741 30.14722 9.576640 -7.811413      13.09057 
1 1 1 27  21 11 o 113.6964 3.093500 1605.052       85.05165 1676.445       122.0304 1537.610       118.6051 116.1759 4.341599 111.2168 4.407891 4.959137       6.187001 
1 1 1 27  21 12 o 44.39987 6.025390 281.4388       62.37613 376.2202       87.46243 183.3318       88.98357 53.59770 6.744863 35.20204 9.986398 18.39566       12.05078 
1 1 1 27  21 13 o 55.05976 4.984322 411.6552       65.86113 420.8601       88.66240 400.3227       98.37659 56.17060 6.524213 53.94892 7.537142 2.221684       9.968644 
1 1 1 27  21 14 o 56.93818 5.013822 456.8212       68.59739 452.6736       91.95438 462.0255       103.0064 57.13339 6.652427 56.74296 7.503256 0.3904305      10.02764 
1 1 1 27  23 0  o 62.52047 5.585398 479.9653       84.48483 479.9653       84.48483 0.000000       0.000000 62.52047 5.585398 ?        ?        ?              ?        
1 1 1 27  23 1  o 83.99629 3.187342 862.1107       64.76496 878.3458       92.39040 846.4253       90.81293 84.77419 4.504648 83.21841 4.510513 1.555779       6.374683 
1 1 1 27  23 2  o 85.65521 3.151645 899.1021       65.02166 874.8763       95.83849 919.7634       88.50744 84.53524 4.685974 86.77519 4.215818 -2.239952      6.303291 
1 1 1 27  23 3  o 67.92206 3.586659 567.9110       58.80151 536.9241       84.40520 597.1317       81.96429 66.07489 5.279958 69.76922 4.855774 -3.694328      7.173318 
1 1 1 27  23 4  o 26.36036 6.393594 77.73713       49.52076 113.0458       76.17229 51.88938       65.17299 29.76919 9.430527 22.95154 8.635818 6.817650       12.78719 
1 1 1 27  23 5  o 82.14040 3.350140 831.3110       66.43014 778.2504       94.72194 882.6687       93.18961 79.50221 4.924578 84.77859 4.543379 -5.276382      6.700281 
1 1 1 27  23 6  o 49.73448 4.572952 308.5135       54.76859 322.4182       82.16346 297.3948       73.47222 50.67639 6.701480 48.79258 6.223964 1.883808       9.145905 
1 1 1 27  23 7  o 63.61372 4.114161 505.7335       63.13749 556.7801       90.42902 457.1803       88.19275 66.82310 5.593438 60.40434 6.034793 6.418762       8.228322 
1 1 1 27  23 8  o 84.74497 3.637384 898.1376       74.16298 1005.916       105.0282 790.9562       104.7370 89.98357 4.824367 79.50638 5.444974 10.47719       7.274769 
1 1 1 27  23 9  o 55.63338 4.768934 399.0444       63.67584 341.6260       89.44622 458.0431       90.66871 51.33214 7.202285 59.93462 6.252840 -8.602482      9.537868 
1 1 1 27  23 10 o 25.61542 6.734960 68.99559       60.28876 5.022806       84.54150 135.1941       85.99958 20.52026 8.971865 30.71057 10.04711 -10.19030      13.46992 
1 1 1 27  23 11 o 95.19963 3.450208 1158.646       78.98376 1243.098       108.9420 1065.067       114.6784 99.18871 4.539739 91.21056 5.196780 7.978149       6.900417 
1 1 1 27  23 12 o 18.87415 6.070952 -72.18285      60.12984 -151.0416      74.02676 80.74956       103.0893 12.63279 6.275184 25.11550 10.39461 -12.48271      12.14190 
1 1 1 27  25 0  o 113.0193 3.002722 1564.300       82.03321 1658.439       118.1843 1476.776       113.9562 116.3131 4.199803 109.7256 4.292670 6.587463       6.005445 
1 1 1 27  25 1  o 150.2328 4.193624 2768.358       152.4251 2768.358       152.4251 0.000000       0.000000 150.2328 4.193624 ?        ?        ?              ?        
1 1 1 27  25 2  o 47.39214 5.061019 284.0402       57.50134 278.8799       86.82225 288.0722       76.74528 46.86555 7.657289 47.91874 6.619787 -1.053188      10.12204 
1 1 1 27  25 3  o 40.11496 5.940245 225.7318       57.17629 120.8014       85.40329 310.9655       76.97142 30.45525 10.01458 49.77467 6.391735 -19.31942      11.88049 
1 1 1 27  25 4  o 36.61535 6.449310 179.6029       56.73338 209.3459       85.91722 156.6073       75.54590 39.24527 9.207516 33.98544 9.033052 5.259830       12.89862 
1 1 1 27  25 5  f 59.96194 4.217739 451.1245       61.01250 470.8501       90.42080 434.6363       82.66878 61.10131 6.116677 58.82256 5.808918 2.278751       8.435477 
1 1 1 27  25 6  f 35.05022 6.397586 164.3402       55.33310 226.8282       84.77386 117.9573       73.03695 40.64299 8.870420 29.45746 9.221285 11.18553       12.79517 
1 1 1 27  25 7  o 135.0512 3.068172 2267.742       100.2261 2336.597       142.8666 2201.016       140.6418 137.0962 4.307277 133.0062 4.370592 4.090012       6.136343 
1 1 1 27  25 8  o 58.51186 6.708876 492.4983       88.53014 440.0952       141.0123 526.5913       113.7394 54.09214 11.14586 62.93159 7.470332 -8.839451      13.41775 
1 1 1 27  25 9  o 64.57557 6.680240 581.2595       101.9403 708.9828       167.5044 506.1273       128.4707 69.40334 9.975705 59.74779 8.887504 9.655552       13.36048 
1 1 1 27  27 0  o 30.91079 5.826746 117.0173       58.33470 -39.15270      86.72988 246.0340       78.83022 18.84372 8.593298 42.97786 7.871411 -24.13414      11.65349 
1 1 1 27  27 1  o 61.70569 8.754020 505.1755       130.6878 505.1755       130.6878 0.000000       0.000000 61.70569 8.754020 ?        ?        ?              ?        
1 1 1 28  0  0  o 96.37457 3.363760 1131.945       110.3023 1131.945       110.3023 1131.945       110.3023 96.37457 4.757074 96.37457 4.757074 0.000000       0.000000 
1 1 1 28  0  1  o 624.9786 7.773977 47339.96       1661.202 47339.96       1661.202 47339.96       1661.202 624.9786 10.99406 624.9786 10.99406 0.000000       0.000000 
1 1 1 28  0  3  f 43.26289 3.194104 233.7846       46.10051 233.7846       46.10051 233.7846       46.10051 43.26289 4.517145 43.26289 4.517145 0.000000       0.000000 
1 1 1 28  0  4  o 236.5999 3.350720 6782.363       271.0047 6782.363       271.0047 6782.363       271.0047 236.5999 4.738634 236.5999 4.738634 0.000000       0.000000 
1 1 1 28  0  5  o 392.8786 5.058066 18711.32       679.4153 18711.32       679.4153 18711.32       679.4153 392.8786 7.153185 392.8786 7.153185 0.000000       0.000000 
1 1 1 28  0  6  o 207.2714 3.051670 5206.354       216.2067 5206.354       216.2067 5206.354       216.2067 207.2714 4.315713 207.2714 4.315713 0.000000       0.000000 
1 1 1 28  0  7  o 470.2715 5.962177 26840.43       958.6410 26840.43       958.6410 26840.43       958.6410 470.2715 8.431792 470.2715 8.431792 0.000000       0.000000 
1 1 1 28  0  8  o 504.3856 6.367169 30898.66       1098.030 30898.66       1098.030 30898.66       1098.030 504.3856 9.004538 504.3856 9.004538 0.000000       0.000000 
1 1 1 28  0  9  f 112.8704 2.404990 1546.065       92.68661 1546.065       92.68661 1546.065       92.68661 112.8704 3.401169 112.8704 3.401169 0.000000       0.000000 
1 1 1 28  0  10 o 290.3898 3.931622 10227.95       390.3113 10227.95       390.3113 10227.95       390.3113 290.3898 5.560153 290.3898 5.560153 0.000000       0.000000 
1 1 1 28  0  11 o 282.2063 3.840404 9663.142       370.5083 9663.142       370.5083 9663.142       370.5083 282.2063 5.431151 282.2063 5.431151 0.000000       0.000000 
1 1 1 28  0  12 o 8.633372 4.267565 -46.71218      46.58417 -46.71218      46.58417 -46.71218      46.58417 8.633372 6.035248 8.633372 6.035248 0.000000       0.000000 
1 1 1 28  0  13 o 45.55461 3.848047 262.5728       57.71591 262.5728       57.71591 262.5728       57.71591 45.55461 5.441960 45.55461 5.441960 0.000000       0.000000 
1 1 1 28  0  14 o 12.24318 5.477004 7.522120       49.24686 7.522120       49.24686 7.522120       49.24686 12.24318 7.745653 12.24318 7.745653 0.000000       0.000000 
1 1 1 28  0  15 o 10.36936 4.972183 -26.41735      52.75598 -26.41735      52.75598 -26.41735      52.75598 10.36936 7.031728 10.36936 7.031728 0.000000       0.000000 
1 1 1 28  0  16 o 13.66537 6.061212 14.29590       58.88678 14.29590       58.88678 14.29590       58.88678 13.66537 8.571848 13.66537 8.571848 0.000000       0.000000 
1 1 1 28  0  17 o 77.32544 3.065027 737.7957       80.50856 737.7957       80.50856 737.7957       80.50856 77.32544 4.334603 77.32544 4.334603 0.000000       0.000000 
1 1 1 28  0  18 o 25.76248 8.178034 125.9735       76.99238 125.9735       76.99238 125.9735       76.99238 25.76248 11.56549 25.76248 11.56549 0.000000       0.000000 
1 1 1 28  0  19 o 63.17954 4.300141 516.5588       90.97788 516.5588       90.97788 516.5588       90.97788 63.17954 6.081318 63.17954 6.081318 0.000000       0.000000 
1 1 1 28  2  0  o 551.3992 7.978870 36764.32       918.3716 36678.83       1058.004 37025.58       1849.599 550.3757 7.945584 552.4225 13.83897 -2.046814      15.95774 
1 1 1 28  2  1  o 73.57471 2.912419 632.3501       48.71138 592.6388       58.66391 720.5235       87.41429 69.98663 3.464604 77.16279 4.682440 -7.176155      5.824837 
1 1 1 28  2  2  o 270.9088 4.239710 9027.474       245.6884 9197.568       288.2659 8575.848       469.7167 275.6922 4.321818 266.1254 7.295372 9.566833       8.479421 
1 1 1 28  2  3  o 222.6684 3.736060 5784.866       167.4237 5620.300       188.6171 6396.193       363.5361 215.5129 3.617475 229.8239 6.538078 -14.31093      7.472121 
1 1 1 28  2  4  o 116.7603 2.819592 1701.037       68.67339 1754.191       79.78517 1549.078       134.9014 120.4056 2.738881 113.1151 4.929393 7.290527       5.639183 
1 1 1 28  2  5  o 98.18352 2.761670 1206.606       56.13929 1246.409       65.02338 1090.065       111.2616 101.4904 2.648147 94.87658 4.847124 6.613869       5.523340 
1 1 1 28  2  6  o 487.1823 7.115854 28981.86       729.8218 29095.95       845.9021 28649.61       1443.502 489.7414 7.139224 484.6233 12.31150 5.118073       14.23171 
1 1 1 28  2  7  o 366.4836 5.596519 15689.84       408.5193 15238.67       458.4262 17430.10       900.3389 354.5900 5.343682 378.3772 9.835099 -23.78723      11.19304 
1 1 1 28  2  8  o 150.3677 2.972052 2720.672       92.95876 2703.436       106.8004 2774.539       188.8060 149.4433 2.953888 151.2921 5.158188 -1.848801      5.944103 
1 1 1 28  2  9  o 62.26094 3.182272 474.6530       40.10872 478.7869       45.70182 460.7971       83.67117 62.88747 3.003772 61.63441 5.611130 1.253063       6.364544 
1 1 1 28  2  10 o 130.2463 2.912574 2094.814       79.80274 2136.690       92.82737 1976.205       156.2259 132.8460 2.888187 127.6466 5.058727 5.199364       5.825148 
1 1 1 28  2  11 o 164.7358 3.174728 3274.294       108.3660 3258.131       124.3264 3325.402       221.0769 164.0075 3.133267 165.4640 5.522521 -1.456528      6.349457 
1 1 1 28  2  12 o 15.62418 4.959164 -13.69971      34.38611 1.942315       38.49240 -75.50268      76.51266 14.79588 6.252614 16.45247 7.699224 -1.656584      9.918328 
1 1 1 28  2  13 o 87.61078 3.215879 967.4285       57.21663 997.7229       65.70164 872.3380       116.4030 90.69928 2.994126 84.52227 5.692338 6.177010       6.431757 
1 1 1 28  2  14 o 66.59389 3.512216 460.7090       46.52606 408.3211       51.44287 696.1332       109.0525 57.92540 3.670742 75.26237 5.989015 -17.33696      7.024432 
1 1 1 28  2  15 o 14.67867 4.781605 -41.67284      39.29480 -53.05655      53.93884 -28.79862      57.36144 13.71833 6.433954 15.63901 7.075255 -1.920673      9.563210 
1 1 1 28  2  16 f 70.49166 3.130085 609.5861       53.22262 546.7814       73.50692 678.7926       77.16237 66.64954 4.558571 74.33378 4.290590 -7.684235      6.260170 
1 1 1 28  2  17 o 56.14935 3.999392 403.7724       51.57069 558.8983       74.21526 258.9305       71.71303 67.15759 4.567681 45.14112 6.566341 22.01648       7.998785 
1 1 1 28  2  18 o 80.94542 3.253239 821.6740       63.56833 784.0716       91.48848 856.7725       88.38995 79.04111 4.784219 82.84973 4.409704 -3.808617      6.506477 
1 1 1 28  2  19 o 84.21420 3.564567 913.6624       72.23798 812.4380       102.2892 1014.377       102.0312 79.25202 5.334786 89.17638 4.729124 -9.924355      7.129135 
1 1 1 28  4  0  o 589.9645 8.519476 42098.16       1048.640 41990.76       1207.745 42427.13       2113.742 588.8084 8.478111 591.1206 14.77997 -2.312195      17.03895 
1 1 1 28  4  1  o 734.6296 10.46755 65974.96       1627.681 66437.66       1893.241 64663.89       3186.877 740.3259 10.57014 728.9334 18.07071 11.39252       20.93510 
1 1 1 28  4  2  o 213.8243 3.612245 5629.208       163.9712 5736.694       191.5898 5334.920       317.0166 217.7361 3.636970 209.9126 6.242251 7.823517       7.224489 
1 1 1 28  4  3  o 134.4330 2.879673 2123.505       79.42927 2069.636       90.27522 2308.150       167.1354 130.7851 2.853041 138.0810 5.003020 -7.295914      5.759345 
1 1 1 28  4  4  o 314.5764 4.849528 11894.77       315.7094 11804.51       361.7461 12183.22       646.6937 312.2422 4.788615 316.9106 8.434504 -4.668365      9.699056 
1 1 1 28  4  5  o 378.8959 5.630312 17629.53       454.6385 17868.98       531.6569 16977.99       876.9949 384.0272 5.722255 373.7646 9.698322 10.26257       11.26062 
1 1 1 28  4  6  o 328.1619 4.996565 13113.51       344.9337 13163.09       399.5604 12968.47       683.4152 329.6247 5.010262 326.6990 8.646382 2.925690       9.993130 
1 1 1 28  4  7  o 63.23509 2.989677 447.7534       38.44180 420.0157       43.20120 553.2421       84.24890 58.90568 3.031352 67.56450 5.153987 -8.658817      5.979354 
1 1 1 28  4  8  o 202.2863 3.497165 4988.414       148.3609 5017.752       171.6691 4901.844       294.8916 203.5673 3.485634 201.0052 6.063910 2.562088       6.994329 
1 1 1 28  4  9  o 174.7327 3.237394 3743.736       118.6620 3788.524       137.5375 3613.326       234.6897 176.8859 3.213850 172.5795 5.620858 4.306442       6.474788 
1 1 1 28  4  10 o 47.66151 4.050197 258.0929       38.65129 245.4547       43.27706 307.9120       85.92363 45.00680 3.974452 50.31622 7.058335 -5.309418      8.100393 
1 1 1 28  4  11 o 86.51878 3.242869 913.0020       54.58646 916.2684       61.20295 900.2975       120.7005 86.97784 2.908449 86.05971 5.797045 0.9181366      6.485739 
1 1 1 28  4  12 o 138.0991 3.038416 2285.828       86.27209 2259.247       98.47448 2373.587       178.9300 136.5335 2.981139 139.6647 5.295347 -3.131165      6.076832 
1 1 1 28  4  13 o 92.43085 3.237498 1030.740       58.30490 1024.167       65.25643 1056.752       129.8216 91.88729 2.935389 92.97442 5.771400 -1.087128      6.474996 
1 1 1 28  4  14 o 77.20423 4.066271 853.0537       56.32087 934.1808       63.48256 553.1232       122.0623 87.69104 2.992243 66.71742 7.562059 20.97362       8.132543 
1 1 1 28  4  15 o 24.70600 5.962488 77.32204       42.80978 99.71587       47.23496 -25.67520      101.3006 27.74072 7.029303 21.67128 9.632961 6.069439       11.92498 
1 1 1 28  4  16 o 71.78687 3.698937 594.6635       53.74443 561.1481       60.40701 721.9512       117.7224 67.69930 3.688085 75.87443 6.413000 -8.175133      7.397873 
1 1 1 28  4  17 o 31.58100 6.986793 96.69201       47.79032 70.89294       52.29957 227.2457       117.6497 23.64303 7.839917 39.51896 11.56706 -15.87593      13.97359 
1 1 1 28  4  18 f 55.82802 4.147558 399.2218       55.93273 370.2755       78.07257 429.7448       80.17081 53.67057 6.012567 57.98546 5.714718 -4.314888      8.295116 
1 1 1 28  4  19 o 30.86688 7.042188 150.1196       59.90605 144.7527       87.09062 154.9395       82.53290 30.29117 10.11982 31.44258 9.795859 -1.151415      14.08438 
1 1 1 28  6  0  o 580.4216 7.248459 40776.27       1016.557 42064.08       1483.602 39636.57       1395.679 589.0266 10.41071 571.8166 10.08850 17.20996       14.49692 
1 1 1 28  6  1  o 407.2469 5.221433 20075.33       514.1877 19678.23       713.3143 20504.86       741.8683 403.0627 7.314861 411.4311 7.452936 -8.368439      10.44287 
1 1 1 28  6  2  o 112.9481 2.969064 1621.391       68.93403 1698.667       79.91748 1396.788       136.2477 118.4858 2.787874 107.4105 5.243007 11.07535       5.938128 
1 1 1 28  6  3  f 272.6803 4.324492 8983.203       245.5186 8959.862       282.4674 9055.324       496.5253 272.0574 4.291464 273.3033 7.509211 -1.245880      8.648983 
1 1 1 28  6  4  o 350.9960 5.305716 15007.00       391.6779 15073.46       453.7243 14812.61       775.9453 352.7603 5.316307 349.2317 9.183646 3.528625       10.61143 
1 1 1 28  6  5  o 187.4991 3.366294 4308.578       132.7918 4361.663       154.1530 4155.860       261.4633 189.8246 3.356582 185.1736 5.836189 4.650986       6.732588 
1 1 1 28  6  6  o 79.55109 2.989894 725.4093       46.92923 697.7133       52.36455 838.4295       105.7809 75.92526 2.850682 83.17690 5.256565 -7.251640      5.979787 
1 1 1 28  6  7  f 460.6788 6.755044 26084.13       660.2670 26346.28       769.7242 25353.96       1284.593 465.8682 6.829199 455.4895 11.65695 10.37863       13.51009 
1 1 1 28  6  8  o 68.62788 3.271553 579.2355       44.37807 585.6210       50.12901 556.0976       95.42365 69.55182 2.979054 67.70395 5.825587 1.847870       6.543106 
1 1 1 28  6  9  o 130.8419 2.972095 2052.533       79.24595 2034.044       90.14790 2115.407       166.2385 129.6190 2.874648 132.0647 5.202865 -2.445755      5.944191 
1 1 1 28  6  10 o 312.2081 4.818836 12032.76       320.4451 12235.66       375.0011 11483.64       616.9264 317.5815 4.880620 306.8347 8.310492 10.74689       9.637672 
1 1 1 28  6  11 o 79.20424 3.253703 714.3356       49.43044 686.3435       54.62276 840.9280       116.1608 75.26682 2.999631 83.14167 5.774820 -7.874855      6.507406 
1 1 1 28  6  12 o 89.06811 3.086459 891.3821       53.88079 844.8569       59.82067 1091.374       124.0262 83.48347 2.961750 94.65274 5.415991 -11.16927      6.172918 
1 1 1 28  6  13 o 83.14374 3.588740 870.2131       56.52114 887.0565       63.11684 802.0226       126.9964 85.48656 3.051723 80.80093 6.496398 4.685631       7.177479 
1 1 1 28  6  14 o 40.33682 6.017463 255.0137       43.77573 278.9758       47.82551 131.2314       108.6993 47.80657 4.134944 32.86707 11.30229 14.93950       12.03493 
1 1 1 28  6  15 o 52.07315 5.596268 396.1340       48.65300 423.0049       53.87510 277.3349       113.2802 58.83397 3.784928 45.31233 10.53315 13.52164       11.19254 
1 1 1 28  6  16 o 64.63882 4.496986 531.5729       53.68672 535.3473       59.42521 514.8126       125.2231 66.07990 3.717056 63.19775 8.189936 2.882141       8.993973 
1 1 1 28  6  17 f 47.20370 6.109112 273.4319       52.28290 258.6000       57.29230 347.2933       127.8518 45.41497 5.214287 48.99244 11.04972 -3.577473      12.21822 
1 1 1 28  6  18 o 30.67073 7.574646 109.1826       54.10102 91.72624       58.85156 204.4022       137.4497 25.79107 8.301942 35.55040 12.67197 -9.759331      15.14929 
1 1 1 28  6  19 o 35.29890 7.797316 187.3022       60.99082 171.4029       66.66148 269.0066       151.1154 33.94682 8.207078 36.65098 13.26033 -2.704155      15.59463 
1 1 1 28  8  0  o 156.1194 2.664346 2949.748       100.6347 2946.221       142.4906 2953.257       142.1479 156.0262 3.774733 156.2127 3.761162 -0.1864624     5.328691 
1 1 1 28  8  1  o 385.4204 4.983395 17977.61       464.2083 17487.54       639.1408 18524.75       675.3326 379.8781 6.954246 390.9627 7.139702 -11.08466      9.966789 
1 1 1 28  8  2  o 268.0132 3.684009 8698.333       238.8578 8626.953       335.0662 8772.088       340.5935 266.8967 5.189018 269.1299 5.230849 -2.233185      7.368018 
1 1 1 28  8  3  o 429.6647 5.493571 22379.17       570.6689 21900.47       789.4968 22902.93       825.8237 424.8718 7.680512 434.4576 7.856655 -9.585785      10.98714 
1 1 1 28  8  4  o 382.7042 4.955107 17763.71       458.7349 17949.27       655.1901 17585.27       642.4943 384.6594 7.040261 380.7489 6.974744 3.910431       9.910213 
1 1 1 28  8  5  o 186.9718 2.907533 4224.466       131.3657 4421.236       191.5959 4049.902       180.4618 191.0701 4.144682 182.8735 4.078799 8.196609       5.815066 
1 1 1 28  8  6  o 125.7558 2.998557 1863.427       75.63728 1823.976       85.24046 2009.518       164.0311 122.7557 2.870131 128.7558 5.265712 -6.000092      5.997114 
1 1 1 28  8  7  o 239.1551 3.953550 6991.651       198.4335 7048.324       229.8321 6825.699       393.2910 241.2289 3.938030 237.0814 6.856685 4.147507       7.907099 
1 1 1 28  8  8  o 55.10902 4.377632 363.2414       49.88775 358.2888       57.06533 379.2980       102.7497 54.37452 4.337851 55.84352 7.605109 -1.469006      8.755263 
1 1 1 28  8  9  o 51.14806 4.576760 322.4000       43.11147 324.8915       47.59207 311.0054       101.7764 51.78328 3.798768 50.51284 8.328042 1.270432       9.153520 
1 1 1 28  8  10 o 130.3220 3.187617 2024.308       82.13541 1998.326       92.24486 2123.736       180.4514 128.4465 2.968367 132.1975 5.642021 -3.751022      6.375233 
1 1 1 28  8  11 o 114.5874 3.235951 1592.866       72.15293 1591.292       80.81600 1599.048       160.1820 114.5937 2.914970 114.5812 5.778275 0.1258087E-01  6.471902 
1 1 1 28  8  12 o 140.7802 3.170642 2182.157       85.58224 2050.981       94.18931 2803.094       204.9261 130.0373 2.993858 151.5232 5.590054 -21.48584      6.341285 
1 1 1 28  8  13 o 206.3503 3.755450 5313.306       161.0299 5412.491       186.2480 5019.631       320.4816 210.9062 3.650060 201.7944 6.564350 9.111832       7.510901 
1 1 1 28  8  14 o 92.28293 3.610535 1010.455       61.39404 991.4318       67.38497 1103.391       148.9428 90.27052 3.085423 94.29533 6.528706 -4.024803      7.221069 
1 1 1 28  8  15 o 70.95392 4.741489 691.3386       56.39362 719.5244       61.61511 545.8655       139.9790 76.78217 3.316840 65.12566 8.883999 11.65652       9.482978 
1 1 1 28  8  16 o 122.2857 3.598881 1917.280       85.01579 1958.451       95.70486 1763.236       185.1228 126.5562 3.125708 118.0152 6.483650 8.540955       7.197761 
1 1 1 28  8  17 o 85.12027 4.560133 946.5342       68.18470 954.6560       74.65092 905.6514       167.4860 88.01969 3.505525 82.22086 8.419654 5.798836       9.120267 
1 1 1 28  8  18 o 21.94421 6.750111 34.92027       53.88547 47.55128       57.56735 -54.45568      153.1325 20.76064 8.039980 23.12778 10.84503 -2.367146      13.50022 
1 1 1 28  8  19 f 41.15953 8.530168 263.2575       68.34600 238.2654       72.82919 447.7097       197.8544 40.15994 7.776649 42.15911 15.18482 -1.999176      17.06034 
1 1 1 28  10 0  o 119.4634 2.531744 1722.224       73.06116 1848.572       106.6304 1610.416       100.3074 123.5811 3.566370 115.3456 3.594429 8.235558       5.063488 
1 1 1 28  10 1  o 162.3052 2.736862 3189.084       107.4698 3179.066       151.9109 3199.121       152.0597 162.0499 3.874699 162.5605 3.866312 -0.5106049     5.473724 
1 1 1 28  10 2  o 212.8329 3.152917 5485.651       162.3504 5496.329       229.6608 5474.984       229.5354 213.0401 4.455773 212.6258 4.462021 0.4143677      6.305834 
1 1 1 28  10 3  o 262.3304 3.639618 8331.075       230.8646 8136.544       319.9456 8542.384       333.4572 259.1420 5.103122 265.5188 5.190898 -6.376831      7.279236 
1 1 1 28  10 4  o 146.5347 2.632609 2599.789       93.32861 2627.974       132.5305 2572.062       131.4494 147.3227 3.718295 145.7467 3.727841 1.575958       5.265218 
1 1 1 28  10 5  f 18.46467 5.110593 20.90258       34.26743 -2.408718      49.73588 41.96878       47.28024 16.44360 7.033508 20.48575 7.416362 -4.042149      10.22119 
1 1 1 28  10 6  o 266.8151 3.699165 8631.046       238.7789 8600.584       335.8209 8662.193       339.5793 266.3412 5.211551 267.2889 5.251192 -0.9476929     7.398329 
1 1 1 28  10 7  o 90.93167 2.627581 1001.818       57.78852 1017.655       81.16529 985.5367       82.29707 91.66245 3.659962 90.20090 3.771127 1.461548       5.255162 
1 1 1 28  10 8  o 127.6477 3.377246 1978.525       95.83637 1982.649       114.8462 1969.066       173.9178 127.9286 3.710620 127.3669 5.643976 0.5617523      6.754492 
1 1 1 28  10 9  o 92.33449 3.528868 1071.999       60.98417 1094.818       67.86794 976.3237       138.9705 95.07814 2.950405 89.59084 6.411455 5.487297       7.057736 
1 1 1 28  10 10 o 24.07191 6.235585 61.91721       40.43375 73.37630       43.56194 -9.382510      108.6616 24.26476 7.020324 23.87906 10.30753 0.3857002      12.47117 
1 1 1 28  10 11 o 151.3925 3.324952 2783.647       100.7960 2779.853       114.0853 2797.145       215.1903 151.4007 3.114580 151.3844 5.875426 0.1626587E-01  6.649905 
1 1 1 28  10 12 o 129.2117 3.505875 2122.677       86.58942 2180.112       97.17271 1901.249       190.7966 134.0150 2.997012 124.4083 6.338972 9.606728       7.011751 
1 1 1 28  10 13 o 61.95682 5.617993 554.2706       52.22154 580.9629       56.48329 397.1446       137.0412 69.08875 3.379172 54.82488 10.71581 14.26387       11.23599 
1 1 1 28  10 14 o 41.83688 6.231110 325.1446       49.33255 369.2595       53.21695 55.62165       131.5391 54.93771 4.003844 28.73604 11.80153 26.20166       12.46222 
1 1 1 28  10 15 o 53.82884 6.086308 395.2279       52.03056 401.5250       56.24635 357.8822       136.9762 57.16288 4.067035 50.49480 11.47309 6.668076       12.17262 
1 1 1 28  10 16 o 40.04990 7.080145 204.0128       51.00184 197.6100       54.55467 248.4236       143.6774 39.59651 5.694725 40.50330 12.96472 -0.9067879     14.16029 
1 1 1 28  10 17 o 25.72711 7.284462 74.05048       52.35785 80.44312       55.14552 15.57406       166.7863 24.48645 8.047084 26.96777 12.14488 -2.481316      14.56892 
1 1 1 28  10 18 o 31.50258 7.674482 159.5369       60.49274 164.7918       63.76336 112.2189       191.3379 33.66423 7.955012 29.34093 13.12663 4.323309       15.34896 
1 1 1 28  12 0  o 116.6524 2.575598 1647.834       72.64750 1635.660       104.3243 1659.295       101.2240 116.2322 3.709854 117.0725 3.573766 -0.8403168     5.151196 
1 1 1 28  12 1  o 221.6190 3.260595 5948.556       174.8092 5876.477       245.1454 6023.125       249.3431 220.2541 4.600420 222.9840 4.621909 -2.729889      6.521189 
1 1 1 28  12 2  o 344.4918 4.546225 14392.79       378.8336 14189.41       529.4438 14606.16       542.2903 342.0035 6.398631 346.9801 6.459888 -4.976593      9.092449 
1 1 1 28  12 3  o 272.4464 3.765052 8984.191       247.9152 9291.926       360.7703 8708.853       341.2533 276.8534 5.386152 268.0394 5.262303 8.813965       7.530104 
1 1 1 28  12 4  o 105.8402 3.631735 1356.537       92.99663 1356.537       92.99663 0.000000       0.000000 105.8402 3.631735 ?        ?        ?              ?        
1 1 1 28  12 5  o 275.2601 3.803102 9187.730       253.2483 9132.712       355.4266 9244.466       360.9312 274.4264 5.353302 276.0939 5.403377 -1.667511      7.606204 
1 1 1 28  12 6  o 178.3844 2.910923 3854.486       125.6057 3958.307       179.2302 3754.284       176.0784 180.7455 4.098656 176.0233 4.134600 4.722229       5.821847 
1 1 1 28  12 7  o 68.26051 3.092985 564.6613       50.99717 561.7650       70.06946 567.9235       74.36375 68.07833 4.254196 68.44270 4.490884 -0.3643646     6.185970 
1 1 1 28  12 8  o 207.4863 3.159562 5221.865       158.5896 5214.102       222.6261 5229.864       225.9704 207.3335 4.438174 207.6391 4.498214 -0.3055573     6.319123 
1 1 1 28  12 9  o 138.9042 2.690528 2340.538       90.37556 2348.007       126.0029 2332.625       129.6978 139.1385 3.743096 138.6700 3.865877 0.4685516      5.381057 
1 1 1 28  12 10 o 128.5672 2.657005 2004.278       82.55752 1959.670       113.6668 2054.084       120.1071 127.0621 3.697562 130.0724 3.816640 -3.010368      5.314011 
1 1 1 28  12 11 o 29.97423 6.933389 80.45604       42.12004 68.46082       45.00831 165.0208       119.5042 23.53868 7.217644 36.40977 11.84032 -12.87110      13.86678 
1 1 1 28  12 12 o 154.3428 3.471473 2894.251       105.8058 2877.994       119.0462 2955.384       230.8479 153.8498 3.198277 154.8359 6.162429 -0.9860535     6.942947 
1 1 1 28  12 13 o 54.39900 6.334735 425.6315       51.91805 441.1931       55.80751 325.5205       141.5489 60.10109 3.838027 48.69690 12.07415 11.40419       12.66947 
1 1 1 28  12 14 o 83.16527 4.476132 884.3267       63.76828 892.8306       69.34184 837.7156       162.3411 85.49506 3.352371 80.83547 8.300883 4.659584       8.952265 
1 1 1 28  12 15 o 48.59775 6.407053 257.8546       50.31050 237.6890       53.48328 412.8495       148.2760 43.68205 5.060725 53.51344 11.77244 -9.831394      12.81411 
1 1 1 28  12 16 o 56.48701 6.271008 416.9533       59.55348 407.9257       64.71552 466.8650       152.1681 57.09673 4.684841 55.87729 11.63419 1.219444       12.54202 
1 1 1 28  12 17 f 80.00739 5.570324 831.1872       73.46820 812.8215       79.01623 948.3641       199.5877 80.50668 4.056786 79.50809 10.37577 0.9985886      11.14065 
1 1 1 28  12 18 o 35.97882 7.283988 249.7069       66.88866 265.2059       71.14187 131.5883       196.3956 43.65246 6.736189 28.30519 12.91703 15.34727       14.56798 
1 1 1 28  14 0  o 237.8047 3.430797 6853.241       197.3864 6854.199       278.9275 6852.280       279.3661 237.8217 4.847719 237.7877 4.856037 0.3401184E-01  6.861594 
1 1 1 28  14 1  o 76.31247 2.926603 705.1496       53.96659 658.0265       75.46386 754.4742       77.20653 73.70171 4.232132 78.92323 4.043401 -5.221527      5.853207 
1 1 1 28  14 2  o 172.0887 2.889421 3584.364       120.2432 3686.807       173.3315 3489.329       166.9473 174.4557 4.106670 169.7216 4.065743 4.734161       5.778841 
1 1 1 28  14 3  o 176.7578 4.109600 3785.038       175.7440 3785.038       175.7440 0.000000       0.000000 176.7578 4.109600 ?        ?        ?              ?        
1 1 1 28  14 4  o 34.02194 5.340034 145.1998       42.65458 158.9468       63.88064 134.1393       57.29986 35.47325 7.666925 32.57064 7.435195 2.902607       10.68007 
1 1 1 28  14 5  o 123.3013 2.704437 1840.578       80.63551 1801.974       111.8881 1882.296       116.3122 121.9587 3.792007 124.6439 3.857019 -2.685257      5.408874 
1 1 1 28  14 6  o 182.1562 4.153241 4022.244       183.0347 4022.244       183.0347 0.000000       0.000000 182.1562 4.153241 ?        ?        ?              ?        
1 1 1 28  14 7  o 137.6116 2.722732 2295.595       90.60814 2285.385       126.1340 2306.481       130.2433 137.2997 3.797172 137.9234 3.903147 -0.6237335     5.445464 
1 1 1 28  14 8  f 101.6454 2.716100 1252.844       66.72931 1239.400       92.14940 1267.668       96.75819 101.0779 3.768199 102.2128 3.912731 -1.134918      5.432199 
1 1 1 28  14 9  o 52.08337 3.592858 329.3570       44.99938 281.8500       61.87180 382.7068       65.56622 48.09153 5.317676 56.07521 4.832890 -7.983685      7.185715 
1 1 1 28  14 10 o 48.33550 3.796124 285.5875       44.37547 284.5634       61.85857 286.6733       63.69448 48.25278 5.298772 48.41822 5.437393 -0.1654434     7.592248 
1 1 1 28  14 11 o 138.3644 2.763223 2333.541       92.49165 2334.040       129.9338 2333.029       131.6898 138.3866 3.880841 138.3422 3.934550 0.4434204E-01  5.526446 
1 1 1 28  14 12 o 21.73370 6.624962 14.60846       42.80183 14.09357       45.46587 18.61987       126.9044 16.98094 6.951945 26.48646 11.27967 -9.505516      13.24992 
1 1 1 28  14 13 o 95.63385 4.099472 1174.070       69.17973 1192.677       75.82233 1081.618       169.0129 98.88198 3.169405 92.38573 7.561583 6.496254       8.198943 
1 1 1 28  14 14 o 100.9423 4.050932 1245.425       72.33548 1230.731       78.79276 1324.212       182.4484 100.2870 3.247427 101.5977 7.422561 -1.310738      8.101864 
1 1 1 28  14 15 o 38.15955 7.866135 144.6927       56.48646 114.9505       60.34184 355.3837       160.6036 28.97103 8.225328 47.34806 13.41075 -18.37704      15.73227 
1 1 1 28  14 16 o 51.99892 6.950522 321.0652       61.15271 291.1000       65.60100 519.8096       168.9465 47.52446 5.705464 56.47338 12.67623 -8.948921      13.90104 
1 1 1 28  14 17 o 64.10387 8.177475 692.8079       73.66182 697.9290       78.21094 652.5878       219.1827 73.92496 4.372945 54.28277 15.75950 19.64219       16.35495 
1 1 1 28  16 0  o 132.8423 2.730256 2136.641       87.71074 2172.961       126.2927 2102.800       121.9070 133.9305 3.897593 131.7540 3.824391 2.176437       5.460512 
1 1 1 28  16 1  o 113.7318 2.763389 1567.125       76.02897 1560.003       108.1804 1574.076       106.8739 113.4751 3.940447 113.9886 3.875325 -0.5134888     5.526778 
1 1 1 28  16 2  o 385.1010 5.025931 18031.97       468.2654 18051.17       663.2216 18012.89       661.2373 385.3034 7.114650 384.8986 7.100824 0.4048157      10.05186 
1 1 1 28  16 3  o 60.62814 3.617989 445.9110       53.04357 446.7092       76.24348 445.1622       73.84393 60.67808 5.193601 60.57820 5.038440 0.9988022E-01  7.235977 
1 1 1 28  16 4  o 243.6837 3.528651 7167.418       207.3747 7682.968       308.6982 6743.423       279.9493 251.6151 5.071017 235.7523 4.908187 15.86275       7.057302 
1 1 1 28  16 5  o 117.8274 2.785413 1683.259       79.39797 1681.193       111.6122 1685.375       112.9716 117.7557 3.917665 117.8991 3.960557 -0.1434402     5.570827 
1 1 1 28  16 6  o 70.36108 3.295061 604.5146       55.76180 667.5184       77.94939 538.4815       79.80141 74.15446 4.344833 66.56771 4.955011 7.586754       6.590122 
1 1 1 28  16 7  o 181.2887 2.976525 3987.403       130.4285 3895.121       179.8349 4089.815       189.4477 179.0884 4.150535 183.4890 4.267535 -4.400574      5.953050 
1 1 1 28  16 8  o 85.07031 2.941082 880.1790       60.45108 821.7072       84.90186 940.3016       86.09203 82.19233 4.269566 87.94830 4.046068 -5.755974      5.882164 
1 1 1 28  16 9  o 138.3333 2.772273 2330.085       92.74866 2370.455       130.2001 2288.495       132.1545 139.5641 3.855984 137.1024 3.984141 2.461746       5.544547 
1 1 1 28  16 10 o 96.03983 2.917325 1128.769       67.59740 1185.345       93.83192 1067.726       97.46590 98.58716 3.933943 93.49250 4.308971 5.094658       5.834650 
1 1 1 28  16 11 o 116.3256 2.821339 1657.889       79.21676 1738.476       110.2564 1571.903       113.8908 119.3048 3.819828 113.3464 4.153158 5.958382       5.642677 
1 1 1 28  16 12 o 22.07946 6.061438 43.63078       46.21882 42.41044       62.63359 45.08976       68.48410 21.67171 8.388117 22.48720 8.752348 -0.8154888     12.12288 
1 1 1 28  16 13 o 53.20259 4.147904 357.1342       52.94317 407.0840       74.70629 306.7361       75.04072 57.10500 5.407303 49.30018 6.291383 7.804813       8.295808 
1 1 1 28  16 14 o 49.20391 7.217267 377.9349       60.36502 394.1761       65.30920 282.6889       158.1573 56.16893 4.805913 42.23890 13.61099 13.93002       14.43453 
1 1 1 28  16 15 o 22.10256 6.239232 43.90981       55.79976 90.18057       58.83170 -370.6127      176.0889 25.59529 8.306861 18.60983 9.311720 6.985464       12.47846 
1 1 1 28  16 16 o 59.55188 6.641273 317.5978       66.47305 247.0190       70.03002 959.9048       211.2605 42.58467 6.797179 76.51910 11.41159 -33.93443      13.28255 
1 1 1 28  18 0  o 100.0142 2.930792 1212.363       70.85148 1142.522       99.27488 1284.866       101.1497 97.07488 4.226980 102.9535 4.060888 -5.878616      5.861584 
1 1 1 28  18 1  o 31.78255 5.769955 129.5465       47.24957 66.57948       68.97424 185.2216       64.85756 25.19041 8.976940 38.37468 7.251486 -13.18426      11.53991 
1 1 1 28  18 2  o 82.54658 3.116313 826.3494       62.20599 863.2702       88.84444 790.8432       87.12582 84.35754 4.353154 80.73562 4.460458 3.621918       6.232626 
1 1 1 28  18 3  o 102.9265 2.854251 1285.071       71.06564 1282.098       99.60941 1288.152       101.4190 102.8076 4.004727 103.0455 4.068066 -0.2379303     5.708503 
1 1 1 28  18 4  o 39.96337 5.052035 198.1337       47.66195 223.3413       68.80889 174.8843       66.08210 42.77953 6.648232 37.14721 7.608762 5.632320       10.10407 
1 1 1 28  18 5  o 22.31446 5.302357 18.23663       44.54881 -86.40707      63.50873 119.6030       62.50629 13.95085 6.669709 30.67807 8.244691 -16.72722      10.60471 
1 1 1 28  18 6  o 139.9469 2.792410 2379.517       94.50003 2363.835       131.4099 2396.312       135.9945 139.4783 3.894207 140.4155 4.003170 -0.9371948     5.584820 
1 1 1 28  18 7  o 48.03778 4.524984 283.2115       52.53334 265.3698       73.24283 302.1148       75.39043 46.46764 6.514966 49.60793 6.281493 -3.140289      9.049969 
1 1 1 28  18 8  o 131.1623 3.982363 2096.810       126.3724 2096.810       126.3724 0.000000       0.000000 131.1623 3.982363 ?        ?        ?              ?        
1 1 1 28  18 9  o 61.63882 3.714381 466.9580       55.34974 469.9586       79.94913 464.1962       76.70437 61.81128 5.346182 61.46637 5.157987 0.3449097      7.428761 
1 1 1 28  18 10 o 39.91918 5.481774 208.7835       51.34289 280.4835       72.93562 138.3505       72.28835 47.46755 6.350976 32.37082 8.936693 15.09674       10.96355 
1 1 1 28  18 11 o 50.99198 4.339752 325.9265       53.36891 336.1649       73.40459 314.4456       77.73119 51.92167 5.843489 50.06228 6.417743 1.859390       8.679503 
1 1 1 28  18 12 o 84.21393 3.265479 873.0795       66.22028 822.0779       88.59399 937.6475       99.68291 81.49915 4.493129 86.92870 4.739747 -5.429550      6.530958 
1 1 1 28  18 13 o 53.12374 4.600938 361.8848       57.65952 266.4817       78.81712 471.7297       84.57252 45.24973 7.199499 60.99775 5.730772 -15.74802      9.201877 
1 1 1 28  18 14 o 71.80756 3.757141 665.8018       64.19148 782.8403       89.69699 542.9324       91.90417 78.75879 4.707351 64.85634 5.857071 13.90245       7.514282 
1 1 1 28  18 15 o 40.91538 7.541709 310.4825       65.58415 324.6333       69.47471 194.6460       198.7735 49.59510 5.790094 32.23566 13.92783 17.35944       15.08342 
1 1 1 28  20 0  o 73.97459 3.304655 664.2726       59.09347 704.0718       85.05124 627.1288       82.16505 76.11824 4.618380 71.83094 4.727954 4.287300       6.609310 
1 1 1 28  20 1  o 22.12408 6.028979 40.05679       45.62465 33.35421       67.17563 45.79615       62.16166 21.83575 8.617780 22.41240 8.433756 -0.5766487     12.05796 
1 1 1 28  20 2  o 213.2955 3.268777 5530.653       168.6437 5652.602       241.6334 5414.834       235.4819 215.5845 4.632732 211.0065 4.612744 4.577927       6.537555 
1 1 1 28  20 3  f 130.5657 3.935775 2071.451       124.3260 2071.451       124.3260 0.000000       0.000000 130.5657 3.935775 ?        ?        ?              ?        
1 1 1 28  20 4  o 77.39955 3.223794 729.9535       60.35732 717.6681       85.62797 742.0853       85.09084 76.74586 4.611671 78.05325 4.505982 -1.307381      6.447588 
1 1 1 28  20 5  o 209.8076 3.240936 5360.322       164.3428 5608.646       239.0542 5137.787       226.3013 214.3964 4.608682 205.2189 4.557928 9.177490       6.481871 
1 1 1 28  20 6  o 45.08018 4.901460 254.1549       50.05581 363.6499       74.81462 165.4160       67.35135 54.40105 5.684299 35.75930 7.986612 18.64175       9.802919 
1 1 1 28  20 7  o 44.58533 5.457674 246.9821       56.67208 326.0115       86.73549 188.1090       74.86189 51.19012 7.003391 37.98054 8.372414 13.20958       10.91535 
1 1 1 28  20 8  o 83.95975 3.330950 865.7318       67.58199 921.5121       96.30559 811.6118       94.86150 86.65530 4.593609 81.26421 4.824901 5.391090       6.661901 
1 1 1 28  20 9  f 63.00402 3.820592 491.8201       58.20454 492.9924       81.03491 490.5706       83.65491 63.10765 5.307473 62.90038 5.497128 0.2072678      7.641184 
1 1 1 28  20 10 o 46.01273 5.157824 273.1762       55.96194 245.3309       78.33810 302.1948       79.97144 43.17038 7.786897 48.85508 6.765857 -5.684692      10.31565 
1 1 1 28  20 11 o 60.95723 4.142752 466.2992       60.78223 405.2902       82.93812 537.0840       89.33611 56.58646 6.058140 65.32799 5.652303 -8.741524      8.285504 
1 1 1 28  20 12 o 43.43955 5.754039 254.7730       59.09666 223.0689       81.41859 290.0740       85.91299 40.01095 8.661976 46.86815 7.576676 -6.857197      11.50808 
1 1 1 28  20 13 o 51.97554 5.028633 357.0331       62.81393 310.4695       83.90543 416.4026       94.74332 48.09822 7.210389 55.85285 7.011339 -7.754631      10.05727 
1 1 1 28  20 14 o 42.87792 6.202396 274.9554       62.09462 244.8972       84.61704 310.0298       91.40544 40.10886 8.947428 45.64698 8.591998 -5.538116      12.40479 
1 1 1 28  22 0  f 175.7537 3.044211 3759.740       129.3761 3915.482       186.3262 3614.749       179.7801 179.2673 4.296062 172.2401 4.314247 7.027145       6.088421 
1 1 1 28  22 1  o 170.4365 2.989581 3534.466       123.1737 3692.830       178.5728 3390.736       170.1220 174.0688 4.240256 166.8043 4.215518 7.264542       5.979161 
1 1 1 28  22 2  o 29.59276 5.747598 97.11977       47.96030 194.7724       72.68682 21.82446       63.82601 38.89799 7.991045 20.28753 8.263336 18.61046       11.49520 
1 1 1 28  22 3  o 63.53333 3.757773 494.4846       57.70827 512.6372       83.83295 478.1359       79.55837 64.63196 5.361238 62.43470 5.266930 2.197254       7.515545 
1 1 1 28  22 4  o 32.17050 6.275470 133.0211       50.05196 150.3665       76.86098 120.2496       65.95285 33.88152 9.158066 30.45949 8.582303 3.422028       12.55094 
1 1 1 28  22 5  o 15.74036 5.142671 -84.15732      47.36493 1.241865       73.13580 -145.8521      62.16236 19.82783 8.506323 11.65289 5.781930 8.174938       10.28534 
1 1 1 28  22 6  o 118.8625 2.936003 1723.741       84.26495 1866.776       123.5332 1599.274       115.2363 123.4619 4.135694 114.2631 4.168511 9.198814       5.872005 
1 1 1 28  22 7  o 54.93948 4.525163 377.7691       60.14730 379.8336       85.07145 375.7056       85.05080 55.09453 6.382239 54.78443 6.416807 0.3101006      9.050325 
1 1 1 28  22 8  f 19.83823 5.555244 -76.75402      54.15881 103.5736       77.39285 -249.8071      75.81575 28.41382 9.539530 11.26264 5.695642 17.15118       11.11049 
1 1 1 28  22 9  o 53.17570 4.629446 359.3254       58.65063 283.4562       80.70403 444.2462       85.38259 47.00185 7.097052 59.34955 5.946338 -12.34771      9.258892 
1 1 1 28  22 10 o 41.16294 6.219934 234.4460       60.08964 213.2750       83.73332 256.9260       86.28320 39.06393 9.038993 43.26196 8.546747 -4.198029      12.43987 
1 1 1 28  22 11 o 33.86011 6.540647 166.1145       60.73856 76.40731       86.74992 252.3796       85.06933 25.38138 9.858446 42.33884 8.598331 -16.95745      13.08129 
1 1 1 28  22 12 o 25.21216 6.739161 77.71308       61.44624 135.3791       82.95383 7.607733       91.46441 29.74637 9.874192 20.67795 9.174174 9.068426       13.47832 
1 1 1 28  22 13 o 20.89108 6.216985 20.02515       60.71330 98.20175       80.72409 -81.79085      92.12400 25.32349 9.591951 16.45867 7.911895 8.864824       12.43397 
1 1 1 28  24 0  o 32.32978 6.153673 141.9018       50.77024 90.27981       79.62704 177.2638       65.90395 27.68163 9.664663 36.97793 7.620043 -9.296301      12.30735 
1 1 1 28  24 1  o 131.6013 2.931077 2119.599       93.29337 2062.446       132.1215 2176.432       131.7528 129.8092 4.206933 133.3935 4.082469 -3.584274      5.862153 
1 1 1 28  24 2  o 76.93370 3.491375 725.8906       64.74712 756.6683       96.51573 700.7054       87.30764 78.37017 5.090319 75.49722 4.779902 2.872948       6.982751 
1 1 1 28  24 3  o 60.76338 4.110266 453.6588       60.11382 517.2728       90.21426 402.8559       80.62003 64.56593 5.775232 56.96082 5.850115 7.605110       8.220532 
1 1 1 28  24 4  o 40.38934 5.846264 210.7973       56.20543 269.7466       82.95250 160.7649       76.42152 46.14611 7.430056 34.63256 9.028261 11.51356       11.69253 
1 1 1 28  24 5  o 82.68217 3.430931 848.1687       68.36948 810.7646       99.71600 881.3524       93.92199 80.86200 5.097040 84.50234 4.594055 -3.640343      6.861863 
1 1 1 28  24 6  o 67.23561 3.855659 567.1439       62.14757 544.5898       93.24695 585.1693       83.36142 65.86619 5.851535 68.60503 5.022348 -2.738838      7.711319 
1 1 1 28  24 7  o 149.1704 3.034792 2755.127       109.5072 2771.958       153.7796 2737.812       155.9768 149.6683 4.246848 148.6726 4.336375 0.9957428      6.069585 
1 1 1 28  24 8  o 49.72685 7.572515 346.6967       85.56100 410.5889       144.0097 311.8382       106.3707 52.48102 11.64618 46.97268 9.681859 5.508335       15.14503 
1 1 1 28  24 9  o 24.76768 6.942916 67.24178       62.08219 77.39761       85.04391 55.65519       90.83709 25.40094 9.790201 24.13442 9.847248 1.266516       13.88583 
1 1 1 28  24 10 o 56.36732 7.876894 522.6336       99.17971 407.7335       165.2958 587.2695       123.9762 47.50139 13.65558 65.23325 7.855375 -17.73186      15.75379 
1 1 1 28  24 11 o 32.45472 8.425998 195.8328       90.93459 132.7781       146.1161 235.6930       116.1742 28.71734 12.16145 36.19210 11.66571 -7.474760      16.85200 
1 1 1 28  26 0  f 140.2150 3.021792 2419.062       102.4505 2328.280       142.1458 2517.201       147.7929 137.4805 4.273569 142.9495 4.273349 -5.469070      6.043584 
1 1 1 28  26 1  o 67.68102 4.056386 568.0727       65.60544 703.6465       97.46758 455.7679       88.70979 75.14198 5.361363 60.22006 6.088748 14.92191       8.112772 
1 1 1 28  26 2  o 47.05724 5.432202 282.6201       59.69534 356.3004       91.66987 228.3699       78.65965 52.76999 7.180213 41.34451 8.153516 11.42548       10.86440 
1 1 1 28  26 3  o 32.87166 6.746988 151.6273       58.16705 112.1100       88.24331 181.9904       77.35014 29.30897 10.17744 36.43435 8.860426 -7.125374      13.49398 
1 1 1 28  26 4  o 40.24382 7.571376 185.0278       74.02547 398.3343       138.8692 100.3569       87.49249 52.42228 11.28346 28.06537 10.09884 24.35691       15.14275 
1 1 1 28  26 5  o 34.78911 7.216618 129.5390       67.01067 316.4783       121.7474 48.29268       80.26228 46.39085 11.01220 23.18737 9.330045 23.20347       14.43324 
1 1 1 29  1  0  o 319.9646 4.226793 12390.31       327.1750 12291.92       459.1808 12491.78       466.2919 318.6751 5.955707 321.2541 5.999388 -2.579010      8.453586 
1 1 1 29  1  1  o 106.7261 3.267454 1378.153       84.36891 1378.153       84.36891 0.000000       0.000000 106.7261 3.267454 ?        ?        ?              ?        
1 1 1 29  1  3  o 300.0144 4.019538 10889.89       291.5825 10673.04       404.0359 11125.58       421.2206 296.9028 5.624753 303.1261 5.743597 -6.223328      8.039076 
1 1 1 29  1  4  o 457.0330 5.802118 25331.77       641.5460 25432.52       910.7718 25232.54       903.8340 457.9329 8.220636 456.1331 8.190205 1.799744       11.60424 
1 1 1 29  1  5  o 280.2924 3.802136 9511.521       257.7276 9334.157       358.2635 9701.756       371.0358 277.5889 5.334555 282.9959 5.419177 -5.406982      7.604272 
1 1 1 29  1  6  o 194.4246 2.943142 4577.327       138.4406 4586.438       196.0896 4568.271       195.4809 194.6174 4.164573 194.2318 4.159888 0.3855896      5.886284 
1 1 1 29  1  7  f 247.3894 3.457835 7415.623       206.9581 7399.071       291.8501 7432.365       293.5230 247.1124 4.881609 247.6664 4.898610 -0.5539398     6.915669 
1 1 1 29  1  8  o 258.2744 4.103711 8211.196       226.2797 8352.008       265.1194 7833.433       434.2424 262.5789 4.173297 253.9700 7.067204 8.608963       8.207422 
1 1 1 29  1  9  o 151.2307 2.993366 2753.756       94.38846 2737.039       108.5771 2805.473       190.9744 150.3587 2.984746 152.1025 5.189630 -1.743790      5.986732 
1 1 1 29  1  10 o 201.8461 3.511492 4927.353       147.8752 4913.547       170.3021 4969.661       298.1233 201.4078 3.494954 202.2843 6.091600 -0.8765259     7.022983 
1 1 1 29  1  11 o 24.11562 5.759638 67.70087       36.44353 75.46799       41.05828 38.85782       79.12096 24.51549 6.721554 23.71575 9.354914 0.7997437      11.51928 
1 1 1 29  1  12 o 148.6005 3.054766 2688.223       94.90797 2694.737       109.5677 2668.650       189.9333 149.1084 3.037232 148.0926 5.301095 1.015869       6.109533 
1 1 1 29  1  13 o 211.3693 3.156241 5436.533       161.3658 5348.162       225.2273 5529.738       231.3055 209.6117 4.441230 213.1269 4.485857 -3.515244      6.312483 
1 1 1 29  1  14 o 27.24986 5.421525 92.21374       39.95744 140.3662       56.48943 43.99672       56.52729 33.03658 7.265218 21.46315 8.049119 11.57343       10.84305 
1 1 1 29  1  15 o 77.75725 2.814637 739.8056       52.87849 778.7833       74.46690 700.1623       75.10008 79.85025 3.854648 75.66425 4.102489 4.186005       5.629274 
1 1 1 29  1  16 o 108.7894 2.704152 1450.354       71.17185 1465.175       100.8526 1435.651       100.4530 109.3475 3.812204 108.2314 3.836254 1.116089       5.408303 
1 1 1 29  1  17 o 42.53460 4.970180 234.7812       50.06177 222.3627       70.16189 247.6605       71.45181 41.02698 7.337904 44.04222 6.705663 -3.015244      9.940360 
1 1 1 29  1  18 o 45.73354 5.434597 288.9711       56.69687 204.2017       81.09229 370.0363       79.30069 37.87553 8.985101 53.59156 6.116152 -15.71603      10.86919 
1 1 1 29  1  19 o 44.46321 5.817827 285.9225       60.61444 233.1254       85.80296 338.5201       85.64080 39.20758 9.203224 49.71885 7.119630 -10.51127      11.63565 
1 1 1 29  3  0  o 752.6350 10.69162 69491.88       1713.566 70276.66       2001.898 67340.87       3314.284 761.4011 10.86741 743.8689 18.41582 17.53217       21.38324 
1 1 1 29  3  1  o 736.0369 10.38376 67155.96       1657.706 68962.20       1965.979 62712.67       3083.493 754.2070 10.77423 717.8666 17.75403 36.34039       20.76751 
1 1 1 29  3  2  f 582.5382 8.357521 41607.73       1036.633 42085.55       1210.987 40297.44       2005.339 589.3284 8.493363 575.7481 14.39637 13.58026       16.71504 
1 1 1 29  3  3  o 250.3349 4.041414 7584.579       211.0972 7580.617       243.2381 7596.669       424.9097 250.2680 4.017206 250.4019 7.013855 -0.1339111     8.082828 
1 1 1 29  3  4  o 693.6400 10.01107 58496.51       1445.936 58313.61       1664.096 59060.09       2921.169 692.8881 9.926887 694.3919 17.38800 -1.503845      20.02213 
1 1 1 29  3  5  o 399.3474 5.879983 19720.45       505.9261 20175.21       596.9097 18560.38       953.3638 408.0066 6.046988 390.6882 10.08617 17.31839       11.75997 
1 1 1 29  3  6  o 494.3588 7.200788 29970.23       753.7971 30210.71       877.3297 29292.09       1473.271 498.9372 7.267997 489.7804 12.43309 9.156799       14.40158 
1 1 1 29  3  7  o 286.3013 4.474470 9951.604       268.2548 9959.273       309.7802 9928.615       536.3734 286.7269 4.465631 285.8756 7.755106 0.8513184      8.948940 
1 1 1 29  3  8  o 195.2325 3.406710 4730.056       142.1208 4863.118       167.0877 4381.916       270.2678 200.4065 3.446120 190.0584 5.877665 10.34807       6.813419 
1 1 1 29  3  9  o 47.07115 4.435889 308.3532       37.18970 332.8495       41.98695 219.1553       80.12024 52.42805 3.310155 41.71426 8.231119 10.71379       8.871778 
1 1 1 29  3  10 o 294.5297 4.602849 10575.19       284.3718 10607.51       328.9049 10479.48       565.9621 295.7724 4.596321 293.2869 7.976132 2.485504       9.205697 
1 1 1 29  3  11 o 88.14822 3.069054 917.9959       54.50691 898.8808       61.54678 987.5074       117.3668 86.14420 2.953092 90.15223 5.381042 -4.008026      6.138107 
1 1 1 29  3  12 o 44.28745 4.679544 232.8143       39.94120 225.2783       44.80402 261.9869       88.15283 43.06606 4.300109 45.50883 8.312737 -2.442772      9.359089 
1 1 1 29  3  13 o 134.8937 3.111871 2205.358       85.58033 2196.693       97.52126 2234.384       178.4876 134.5536 2.995722 135.2337 5.455328 -0.6800385     6.223741 
1 1 1 29  3  14 o 117.0624 3.290522 1694.310       86.12114 1726.322       104.1802 1625.223       153.0476 119.0748 3.616288 115.0499 5.498419 4.024879       6.581045 
1 1 1 29  3  15 o 96.23366 3.374550 1168.667       64.44366 1193.706       73.17168 1082.094       136.0605 99.02548 3.054174 93.44183 6.018502 5.583656       6.749099 
1 1 1 29  3  16 o 58.66562 3.446741 424.9971       48.86719 435.7097       71.10854 415.4104       67.26851 59.34488 4.952634 57.98636 4.794945 1.358517       6.893481 
1 1 1 29  3  17 o 45.78781 4.517012 266.8040       50.03616 263.8459       70.38583 269.8262       71.14391 45.53066 6.389678 46.04496 6.386360 -0.5142975     9.034023 
1 1 1 29  3  18 o 81.50290 3.355523 836.2934       66.13808 867.3723       93.90543 805.7023       93.16570 83.05354 4.673371 79.95226 4.816405 3.101288       6.711047 
1 1 1 29  3  19 o 30.33337 6.934978 145.6664       58.26729 133.3443       84.19575 156.9918       80.71896 29.10757 9.949092 31.55918 9.663917 -2.451605      13.86996 
1 1 1 29  5  0  o 599.0023 8.732882 42643.15       1062.516 41912.76       1204.793 45199.28       2253.857 588.1920 8.466246 609.8126 15.27664 -21.62054      17.46576 
1 1 1 29  5  1  o 92.74410 3.011937 1093.162       56.43260 1140.335       64.85526 946.1036       114.5096 97.08224 2.761233 88.40596 5.353751 8.676285       6.023874 
1 1 1 29  5  2  o 235.2351 3.890188 6618.680       188.4537 6546.519       215.2647 6855.444       389.9251 232.5798 3.825592 237.8904 6.774886 -5.310654      7.780375 
1 1 1 29  5  3  o 308.9865 4.758744 11649.68       310.1359 11734.72       360.0375 11405.12       610.5889 311.3210 4.780101 306.6520 8.230019 4.669006       9.517488 
1 1 1 29  5  4  o 292.8116 4.595922 10231.35       276.2849 10091.41       314.9684 10698.39       575.4060 288.6886 4.509569 296.9347 8.009605 -8.246155      9.191844 
1 1 1 29  5  5  f 216.2483 3.661298 5627.437       164.1971 5592.013       188.3815 5739.441       334.9714 214.9250 3.622839 217.5717 6.363602 -2.646667      7.322595 
1 1 1 29  5  6  o 348.3237 5.319723 14466.89       378.2562 14244.08       430.0068 15229.03       795.2930 342.8430 5.184152 353.8044 9.290984 -10.96133      10.63945 
1 1 1 29  5  7  o 96.85072 2.906718 1157.198       57.14161 1175.484       65.30187 1097.442       118.0479 98.54827 2.738889 95.15318 5.127818 3.395096       5.813435 
1 1 1 29  5  8  o 141.4303 3.019094 2460.976       88.81620 2498.166       102.6007 2349.792       177.4012 143.6524 2.952128 139.2081 5.267320 4.444275       6.038188 
1 1 1 29  5  9  o 145.1425 3.069170 2617.725       92.98080 2684.612       107.8980 2424.747       183.2721 148.9062 2.995008 141.3787 5.358091 7.527512       6.138340 
1 1 1 29  5  10 o 104.5731 3.017200 1278.522       62.82230 1244.395       70.51259 1409.875       138.3367 101.3734 2.875016 107.7729 5.305492 -6.399475      6.034399 
1 1 1 29  5  11 o 149.6578 3.160571 2650.867       94.85004 2599.284       106.9352 2841.166       205.3938 146.4698 3.017660 152.8458 5.554328 -6.376038      6.321142 
1 1 1 29  5  12 f 73.93845 3.604691 694.3190       50.87510 713.8763       57.07453 618.6794       112.2435 76.73143 3.074445 71.14545 6.520964 5.585976       7.209382 
1 1 1 29  5  13 o 226.0047 3.875049 6368.516       184.8795 6501.772       215.6396 5998.811       359.1798 231.1902 3.855286 220.8191 6.723153 10.37114       7.750098 
1 1 1 29  5  14 o 73.65370 3.679790 672.4594       53.47053 677.4789       60.35109 654.1345       115.3122 74.61124 3.343325 72.69617 6.556340 1.915062       7.359580 
1 1 1 29  5  15 o 39.46342 6.028795 260.4042       46.53683 295.6249       51.26014 95.27662       110.9918 49.10397 4.314803 29.82287 11.25913 19.28109       12.05759 
1 1 1 29  5  16 o 58.45463 4.796539 417.5600       52.64064 409.0002       58.15334 456.3950       123.8670 57.64969 4.169417 59.25957 8.639625 -1.609875      9.593079 
1 1 1 29  5  17 o 37.96053 6.770851 190.1171       50.94277 186.0657       55.72958 210.7079       125.6375 38.28285 6.016988 37.63820 12.13151 0.6446533      13.54170 
1 1 1 29  5  18 o 22.28837 6.564040 44.66716       53.41485 64.58133       58.19546 -61.82034      134.5728 22.69334 8.226115 21.88339 10.23120 0.8099480      13.12808 
1 1 1 29  5  19 o 30.19085 7.096052 148.7076       60.91833 131.8846       86.49001 165.2698       85.81698 28.60190 10.06730 31.77980 10.00327 -3.177904      14.19210 
1 1 1 29  7  0  o 259.6950 3.595933 8153.613       225.7173 7924.911       311.0759 8407.912       328.0227 255.8566 5.025363 263.5334 5.144771 -7.676773      7.191866 
1 1 1 29  7  1  o 98.00732 3.439130 1162.432       81.54726 1162.432       81.54726 0.000000       0.000000 98.00732 3.439130 ?        ?        ?              ?        
1 1 1 29  7  2  o 64.25394 2.638817 499.3111       41.00261 520.2662       58.87363 479.5732       57.13818 65.56223 3.711630 62.94565 3.751962 2.616585       5.277634 
1 1 1 29  7  3  f 433.0829 6.407013 22746.06       579.4268 22714.02       667.8807 22843.55       1165.070 432.8980 6.376921 433.2677 11.11459 -0.3697510     12.81403 
1 1 1 29  7  4  o 155.0421 3.130756 2812.910       97.54268 2738.765       109.8777 3088.638       211.8890 150.4288 3.019092 159.6553 5.485582 -9.226563      6.261512 
1 1 1 29  7  5  o 190.8957 3.417044 4586.157       140.1837 4810.715       166.3375 4035.693       260.4294 199.3439 3.448934 182.4476 5.899967 16.89629       6.834088 
1 1 1 29  7  6  o 242.7514 3.988211 7156.605       202.2373 7168.068       233.3022 7121.951       405.6314 243.2854 3.963697 242.2174 6.921879 1.068039       7.976422 
1 1 1 29  7  7  o 146.3622 3.068615 2588.739       92.37723 2582.798       105.6859 2607.971       190.1573 146.0664 2.990642 146.6580 5.359259 -0.5916443     6.137230 
1 1 1 29  7  8  o 257.6725 4.164917 8119.295       226.1004 8184.194       262.3984 7932.184       445.5432 259.8950 4.173120 255.4500 7.209107 4.444977       8.329835 
1 1 1 29  7  9  o 53.40988 4.087128 318.5031       41.97769 302.1889       46.31479 393.5753       99.35197 49.94092 3.833195 56.87885 7.219770 -6.937923      8.174256 
1 1 1 29  7  10 o 294.9250 4.621943 10791.68       291.0421 11036.74       341.6046 10142.77       555.8846 301.5848 4.681790 288.2651 7.970587 13.31964       9.243885 
1 1 1 29  7  11 o 58.55073 5.106387 506.1790       47.41368 546.5190       52.24103 317.6681       112.9307 67.14436 3.215880 49.95710 9.693237 17.18726       10.21277 
1 1 1 29  7  12 o 70.64587 3.663313 578.6876       49.42675 560.9816       54.65487 658.1797       115.8061 67.98813 3.322718 73.30363 6.529854 -5.315498      7.326626 
1 1 1 29  7  13 o 112.6568 3.269296 1597.154       72.68945 1634.149       82.37375 1466.984       154.5155 116.0083 2.934929 109.3054 5.842892 6.702827       6.538593 
1 1 1 29  7  14 o 45.46352 6.184799 298.8124       47.14585 313.5776       51.28227 218.2035       119.8226 50.64615 4.185222 40.28090 11.64005 10.36525       12.36960 
1 1 1 29  7  15 o 107.6944 3.533195 1537.813       73.83140 1622.989       84.02445 1249.256       154.6551 115.4078 3.009320 99.98112 6.393579 15.42663       7.066389 
1 1 1 29  7  16 o 52.23018 6.025469 371.7754       52.19078 376.9934       56.87619 343.9619       131.3120 55.27368 4.253141 49.18668 11.27546 6.086998       12.05094 
1 1 1 29  7  17 o 37.80418 7.299929 191.3145       54.19757 185.4017       58.57090 226.5318       142.9425 37.42603 6.715281 38.18232 12.96383 -0.7562904     14.59986 
1 1 1 29  7  18 o 23.97421 7.379053 24.34412       54.43165 9.723726       58.13081 128.3760       155.0636 17.59659 7.567342 30.35184 12.67032 -12.75525      14.75811 
1 1 1 29  7  19 o 39.72012 8.746459 221.0433       68.27397 182.3913       72.91091 496.2522       194.5530 34.05848 8.789281 45.38176 15.12451 -11.32328      17.49292 
1 1 1 29  9  0  o 72.72623 2.663450 639.3307       46.82953 664.2244       67.81815 616.6436       64.74276 74.07727 3.784066 71.37518 3.749227 2.702087       5.326899 
1 1 1 29  9  1  o 35.72390 4.261743 160.0126       35.34046 129.6939       51.24924 187.5012       48.79868 32.10246 6.809542 39.34535 5.126398 -7.242897      8.523486 
1 1 1 29  9  2  o 399.4519 5.152700 19299.11       496.8643 18550.73       675.9954 20178.49       732.7792 391.0754 7.144650 407.8284 7.426658 -16.75296      10.30540 
1 1 1 29  9  3  o 50.78384 3.157522 310.7596       38.69596 337.5666       57.17292 288.0991       52.56562 52.79443 4.476102 48.77325 4.454693 4.021179       6.315044 
1 1 1 29  9  4  f 330.1736 4.367675 13217.14       348.8291 13387.95       499.2485 13054.21       487.5956 332.2528 6.210773 328.0945 6.142689 4.158386       8.735350 
1 1 1 29  9  5  o 235.9872 3.379315 6747.967       192.9373 6733.101       272.2118 6762.975       273.5018 235.7265 4.773052 236.2479 4.785088 -0.5213928     6.758630 
1 1 1 29  9  6  o 184.3421 2.904508 4109.952       129.4309 4280.713       187.7438 3955.283       178.6785 187.9843 4.128020 180.7000 4.087067 7.284241       5.809016 
1 1 1 29  9  7  o 177.5056 3.369601 3767.364       122.1337 3723.349       138.9700 3916.716       255.9920 175.3554 3.275666 179.6559 5.889556 -4.300522      6.739203 
1 1 1 29  9  8  o 313.3053 5.963253 11958.05       451.9339 12183.22       646.6236 11743.01       631.8932 316.1824 8.453013 310.4282 8.413568 5.754181       11.92651 
1 1 1 29  9  9  o 308.4656 4.794740 11791.10       315.8791 12043.43       370.6837 11121.95       603.6370 315.0465 4.863248 301.8848 8.264801 13.16177       9.589479 
1 1 1 29  9  10 o 181.5634 3.446527 3932.888       126.2875 3875.657       142.9132 4136.823       269.7766 178.8153 3.303432 184.3115 6.049920 -5.496155      6.893054 
1 1 1 29  9  11 o 100.2080 3.282831 1175.631       62.22462 1149.276       68.71750 1295.657       146.6464 97.36771 2.917092 103.0482 5.882048 -5.680534      6.565661 
1 1 1 29  9  12 o 135.4140 3.354054 2206.131       88.62135 2185.198       99.17144 2289.114       197.4501 134.1702 3.055119 136.6577 5.972015 -2.487473      6.708108 
1 1 1 29  9  13 o 38.53880 6.517226 184.9047       44.02966 183.8289       47.08934 192.3855       124.1726 38.72646 5.025885 38.35115 12.02653 0.3753014      13.03445 
1 1 1 29  9  14 o 81.75943 3.976239 812.8484       58.10442 806.2873       63.45931 846.8769       144.5199 81.34700 3.224419 82.17185 7.269459 -0.8248520     7.952478 
1 1 1 29  9  15 o 41.08362 6.629638 169.4733       47.02147 147.0452       50.19132 330.3986       134.4448 33.72450 6.385302 48.44274 11.62051 -14.71824      13.25928 
1 1 1 29  9  16 o 27.34267 5.740334 117.2540       49.31567 160.8135       52.90829 -171.2076      136.1528 35.06057 6.475939 19.62478 9.479870 15.43580       11.48067 
1 1 1 29  9  17 o 42.27977 6.990453 331.3952       58.58366 361.2775       62.39677 109.0779       170.1931 53.56419 4.814878 30.99535 13.12565 22.56884       13.98091 
1 1 1 29  9  18 o 35.92406 8.211587 185.7011       60.40683 173.9713       63.81325 286.8531       187.3924 34.77829 7.778843 37.06983 14.46410 -2.291538      16.42317 
1 1 1 29  11 0  o 65.46782 2.910621 520.7338       45.90087 496.4645       67.17086 541.9945       62.86966 64.02845 4.336163 66.90718 3.883882 -2.878731      5.821241 
1 1 1 29  11 1  o 306.0160 4.114526 11347.81       304.5500 11512.94       436.6255 11191.35       425.0070 308.1793 5.856030 303.8527 5.781369 4.326599       8.229053 
1 1 1 29  11 2  o 81.87132 2.685789 812.5551       53.06338 741.8508       74.71925 884.4980       75.37090 78.27085 3.945755 85.47179 3.644841 -7.200935      5.371578 
1 1 1 29  11 3  o 122.2209 2.558087 1807.999       75.61736 1744.113       105.8933 1874.473       108.0164 120.0178 3.646873 124.4241 3.588253 -4.406319      5.116174 
1 1 1 29  11 4  o 188.0045 2.946880 4279.497       134.0070 4372.478       192.0999 4191.358       187.0309 189.9921 4.179163 186.0169 4.155838 3.975204       5.893759 
1 1 1 29  11 5  o 205.3950 3.117196 5111.642       154.8970 5114.865       218.2478 5108.371       219.8762 205.4615 4.390531 205.3284 4.426158 0.1331635      6.234392 
1 1 1 29  11 6  o 179.9772 4.154773 3924.720       180.9119 0.000000       0.000000 3924.720       180.9119 ?        ?        179.9772 4.154773 ?              ?        
1 1 1 29  11 7  o 197.5187 3.060233 4728.565       146.2348 4782.788       207.3422 4674.897       206.2765 198.6466 4.314240 196.3908 4.341364 2.255737       6.120466 
1 1 1 29  11 8  o 295.2288 4.015934 10574.68       286.5861 10309.77       395.2747 10868.26       416.1158 291.3506 5.607650 299.1070 5.750233 -7.756439      8.031869 
1 1 1 29  11 9  f 117.8620 3.215544 1660.529       74.33027 1642.511       83.27866 1731.112       164.8301 116.4361 2.956266 119.2879 5.711337 -2.851791      6.431087 
1 1 1 29  11 10 o 132.0378 3.326239 2136.923       86.31303 2149.375       97.18534 2090.422       187.8019 133.1555 3.016750 130.9200 5.929138 2.235474       6.652478 
1 1 1 29  11 11 o 71.01639 4.276911 587.1968       53.07376 574.2117       57.44333 662.9387       138.7347 68.75851 3.453114 73.27428 7.825846 -4.515770      8.553822 
1 1 1 29  11 12 o 70.14462 4.544851 624.5074       55.17184 632.6202       60.13108 581.3207       138.7358 72.11150 3.446610 68.17775 8.410919 3.933754       9.089703 
1 1 1 29  11 13 o 75.90868 4.518490 709.5490       58.92988 707.2343       63.87541 722.7841       152.7406 76.17231 3.466045 75.64506 8.345870 0.5272522      9.036981 
1 1 1 29  11 14 o 77.25684 4.252513 636.0006       58.34539 591.0768       62.83714 916.9542       157.1432 69.49727 3.737200 85.01642 7.639949 -15.51915      8.505027 
1 1 1 29  11 15 o 24.70694 7.305304 30.82918       47.59747 23.21116       50.27483 96.69245       147.8261 18.30484 7.377588 31.10904 12.61115 -12.80420      14.61061 
1 1 1 29  11 16 o 83.31316 4.349284 724.4131       65.75726 651.9277       70.93342 1167.400       175.3561 72.52050 4.042851 94.10580 7.701977 -21.58530      8.698568 
1 1 1 29  11 17 o 32.44542 7.117541 180.6132       63.07203 206.6313       67.49297 1.301606       177.1841 38.59407 7.498492 26.29676 12.10001 12.29731       14.23508 
1 1 1 29  11 18 o 25.22420 8.179775 -36.10830      61.36680 -72.33084      64.17722 350.5056       209.6671 13.62733 6.564092 36.82106 14.98491 -23.19373      16.35955 
1 1 1 29  13 0  o 64.04045 3.066303 494.0884       47.33197 527.3375       70.75059 467.1519       63.68118 65.97813 4.432286 62.10278 4.238359 3.875343       6.132605 
1 1 1 29  13 1  o 64.30857 3.200415 506.5147       49.17287 422.2507       70.45311 586.5518       68.66330 59.02726 4.933387 69.58987 4.078273 -10.56261      6.400830 
1 1 1 29  13 2  o 31.88933 4.897570 133.2650       39.81905 44.20221       58.05075 212.4062       54.72185 21.92359 8.169591 41.85508 5.403937 -19.93149      9.795139 
1 1 1 29  13 3  o 371.1536 4.850327 16727.54       435.5005 16584.88       610.9898 16874.88       620.9117 369.5506 6.833728 372.7566 6.884972 -3.205933      9.700654 
1 1 1 29  13 4  o 264.7373 3.708591 8499.028       237.5324 8547.795       336.3390 8450.504       335.5057 265.4960 5.236207 263.9786 5.253259 1.517365       7.417182 
1 1 1 29  13 5  o 92.56324 2.797315 1038.038       62.64357 1030.543       88.45178 1045.581       88.73167 92.22771 3.964084 92.89877 3.947902 -0.6710510     5.594631 
1 1 1 29  13 6  o 200.4093 3.102772 4869.123       150.4288 4874.646       211.3915 4863.458       214.1116 200.5275 4.357239 200.2912 4.418511 0.2362976      6.205544 
1 1 1 29  13 7  o 113.8520 2.715078 1571.875       74.68159 1584.928       103.1562 1557.498       108.2600 114.3554 3.728518 113.3485 3.947753 1.006874       5.430157 
1 1 1 29  13 8  o 256.3263 3.622573 7985.453       224.6328 7938.678       315.2046 8033.725       320.2122 255.5697 5.097777 257.0829 5.148281 -1.513260      7.245145 
1 1 1 29  13 9  f 90.02699 2.726369 980.9843       59.20577 879.5748       81.55228 1093.996       86.09117 85.11328 3.960376 94.94070 3.748037 -9.827423      5.452739 
1 1 1 29  13 10 o 101.8603 2.700863 1262.953       66.45821 1331.163       93.44602 1193.143       94.53564 104.6634 3.690316 99.05708 3.944643 5.606354       5.401726 
1 1 1 29  13 11 o 115.7165 3.611768 1665.322       78.27356 1681.001       86.89429 1597.858       180.2484 117.6282 3.053357 113.8049 6.546485 3.823280       7.223535 
1 1 1 29  13 12 o 72.48347 4.334857 646.9502       56.58872 645.4118       62.01124 654.6104       138.3750 72.76960 3.522233 72.19735 7.921983 0.5722504      8.669714 
1 1 1 29  13 13 o 48.12449 6.389947 314.6673       51.03964 319.7764       55.26934 285.0684       133.0307 51.01442 4.478052 45.23457 11.96966 5.779850       12.77989 
1 1 1 29  13 14 o 32.19371 5.833944 176.7563       51.10848 221.3127       55.35420 -80.72576      133.0666 42.13165 5.430500 22.25576 10.32712 19.87589       11.66789 
1 1 1 29  13 15 o 37.13636 7.633712 162.0708       54.42882 146.8120       58.33840 264.6044       151.2262 33.01231 7.477688 41.26040 13.31084 -8.248093      15.26742 
1 1 1 29  13 16 o 77.29837 5.683971 860.8851       69.54339 883.5208       75.20512 727.3052       182.6928 84.38207 3.683791 70.21466 10.75452 14.16741       11.36794 
1 1 1 29  13 17 o 25.16941 7.846323 54.02307       59.29852 47.27467       62.04734 125.1636       201.4566 20.68155 8.244157 29.65727 13.35264 -8.975729      15.69265 
1 1 1 29  15 0  o 272.4767 3.790056 8986.842       249.5392 9327.715       364.1277 8684.987       342.6539 277.3309 5.426917 267.6224 5.292135 9.708557       7.580113 
1 1 1 29  15 1  o 123.5765 2.721190 1849.368       81.34524 1873.150       116.2745 1826.570       113.8431 124.3538 3.864765 122.7993 3.831852 1.554504       5.442380 
1 1 1 29  15 2  o 206.6114 3.182482 5173.083       159.0672 5233.220       226.8933 5114.959       223.0655 207.7909 4.513287 205.4319 4.488098 2.359039       6.364965 
1 1 1 29  15 3  o 18.45026 5.476742 5.618749       41.29564 -3.191751      61.78707 12.73172       55.51659 18.28995 7.831777 18.61058 7.657811 -0.3206329     10.95348 
1 1 1 29  15 4  o 232.9153 3.410002 6574.363       192.0399 6439.034       266.0496 6721.573       277.4819 230.4211 4.772414 235.4095 4.872012 -4.988480      6.820003 
1 1 1 29  15 5  o 96.65855 2.800447 1131.697       65.46532 1093.760       91.27419 1171.889       93.94758 94.99092 3.971583 98.32619 3.949244 -3.335274      5.600893 
1 1 1 29  15 6  o 118.9419 2.748960 1714.209       79.02534 1687.981       108.9873 1743.285       114.7529 117.9884 3.817982 119.8954 3.956026 -1.906944      5.497921 
1 1 1 29  15 7  o 159.5006 3.934704 3087.229       151.8366 3087.229       151.8366 0.000000       0.000000 159.5006 3.934704 ?        ?        ?              ?        
1 1 1 29  15 8  o 63.85780 3.291952 495.0008       50.79451 463.0486       70.11974 530.2812       73.68106 61.69093 4.698040 66.02467 4.612616 -4.333744      6.583905 
1 1 1 29  15 9  o 50.42043 4.077328 320.0125       47.86156 412.1832       67.01997 224.0821       68.37326 58.13597 4.764935 42.70489 6.617689 15.43108       8.154656 
1 1 1 29  15 10 o 127.0447 2.776506 1964.507       85.28336 1900.313       117.9969 2034.717       123.4024 124.8794 3.905507 129.2100 3.947526 -4.330605      5.553012 
1 1 1 29  15 11 o 20.90586 5.670336 29.65219       42.89780 70.60822       60.58129 -11.53546      60.75236 24.53906 8.437710 17.27266 7.577328 7.266401       11.34067 
1 1 1 29  15 12 o 50.69455 4.070829 320.5216       49.62135 338.4956       67.85720 299.8632       72.74820 52.31468 5.361300 49.07442 6.127239 3.240257       8.141658 
1 1 1 29  15 13 o 43.65442 6.991146 279.9105       54.92044 290.8895       59.38314 214.9911       144.4003 48.40986 5.070223 38.89897 13.03063 9.510891       13.98229 
1 1 1 29  15 14 o 26.22823 7.391337 45.81924       50.86631 30.99237       54.60859 143.0101       139.8134 19.44538 7.739606 33.01108 12.59468 -13.56569      14.78267 
1 1 1 29  15 15 o 39.49799 7.463838 241.8705       59.82643 249.4414       64.06311 190.2439       167.2903 44.01362 6.016149 34.98235 13.66168 9.031269       14.92768 
1 1 1 29  15 16 o 24.15333 7.586713 44.74861       58.12453 44.11118       60.82785 51.44557       197.1635 20.47359 8.162273 27.83307 12.79102 -7.359482      15.17343 
1 1 1 29  17 0  o 187.5460 3.062163 4259.635       138.8703 4138.411       192.6152 4390.857       200.4007 184.7719 4.308762 190.3201 4.352234 -5.548264      6.124326 
1 1 1 29  17 1  o 124.8438 2.786873 1888.426       84.16637 1922.427       120.0438 1855.550       118.0400 125.9490 3.939514 123.7387 3.942951 2.210335       5.573745 
1 1 1 29  17 2  o 139.0542 2.803718 2343.617       94.32124 2320.881       132.9265 2366.673       133.8591 138.3746 3.970571 139.7339 3.959532 -1.359238      5.607435 
1 1 1 29  17 3  o 111.3939 2.808552 1503.963       75.67742 1543.424       108.0477 1465.964       106.0289 112.8286 3.958165 109.9592 3.985571 2.869453       5.617104 
1 1 1 29  17 4  o 334.0641 4.470867 13535.85       360.3326 14323.53       534.5471 12879.85       487.8262 342.8911 6.443582 325.2372 6.199585 17.65399       8.941734 
1 1 1 29  17 5  o 116.6535 2.758548 1648.384       77.78442 1579.559       107.3221 1724.544       112.8971 114.0941 3.887977 119.2129 3.914330 -5.118835      5.517095 
1 1 1 29  17 6  o 93.93426 2.868554 1073.732       65.06513 1120.248       90.62623 1024.249       93.47172 96.05219 3.899818 91.81632 4.207829 4.235870       5.737107 
1 1 1 29  17 7  o 87.25831 2.944461 925.8138       62.11437 976.4425       88.75401 877.2117       86.95946 89.60358 4.094117 84.91303 4.232921 4.690552       5.888923 
1 1 1 29  17 8  o 209.7180 3.248125 5361.005       164.6918 5203.952       227.7966 5532.995       238.3827 206.5174 4.559197 212.9187 4.627632 -6.401276      6.496249 
1 1 1 29  17 9  o 181.6868 3.031941 4029.694       133.2269 4179.860       190.8260 3886.896       186.0859 184.9970 4.263543 178.3766 4.311944 6.620361       6.063882 
1 1 1 29  17 10 o 48.22430 4.338343 287.3469       50.50702 262.6510       69.47729 315.0247       73.55219 46.01362 6.240999 50.43499 6.027835 -4.421375      8.676685 
1 1 1 29  17 11 o 66.94562 3.535716 553.8331       57.18672 567.6805       79.47125 538.9627       82.35424 67.85651 4.840790 66.03472 5.154794 1.821793       7.071432 
1 1 1 29  17 12 o 107.1253 2.938216 1416.645       75.93492 1473.583       104.9572 1354.108       109.9964 109.4754 3.962720 104.7753 4.339275 4.700089       5.876433 
1 1 1 29  17 13 o 27.24771 6.461757 93.11141       51.70256 57.22178       70.52058 134.8239       76.02636 23.29344 8.931009 31.20198 9.341000 -7.908546      12.92351 
1 1 1 29  17 14 o 42.31538 7.789228 178.3122       57.68428 142.8612       61.27628 454.3724       170.9937 32.04179 7.943937 52.58895 13.40083 -20.54716      15.57846 
1 1 1 29  17 15 o 26.68849 7.856850 79.93944       59.18684 77.55839       62.18421 102.8673       192.9646 23.82977 8.520273 29.54721 13.20323 -5.717442      15.71370 
1 1 1 29  19 0  f 272.9147 3.828671 9056.970       252.7964 9104.063       358.6970 9010.495       356.3308 273.6185 5.418511 272.2108 5.410603 1.407654       7.657341 
1 1 1 29  19 1  o 74.84142 3.317800 682.5688       59.88162 634.0721       85.92287 728.3688       83.49989 72.23307 4.916662 77.44977 4.456188 -5.216698      6.635599 
1 1 1 29  19 2  o 88.36131 3.040502 948.2147       64.98623 972.1301       92.05083 924.4507       91.75867 89.47592 4.252254 87.24670 4.347062 2.229225       6.081004 
1 1 1 29  19 3  o 77.49619 3.182875 729.9419       59.66444 710.5142       84.07104 749.6562       84.68886 76.45371 4.545122 78.53867 4.456977 -2.084961      6.365750 
1 1 1 29  19 4  o 124.3864 2.770195 1879.664       83.35977 1884.176       117.2901 1875.059       118.4962 124.5406 3.892674 124.2322 3.942464 0.3083801      5.540391 
1 1 1 29  19 5  o 132.8473 2.798840 2146.169       89.92807 2219.371       127.7696 2074.309       126.5935 135.1007 3.909017 130.5939 4.006695 4.506805       5.597680 
1 1 1 29  19 6  o 127.8395 2.790891 1986.353       86.24064 2100.728       124.8249 1881.898       119.2887 131.3583 3.927729 124.3207 3.966010 7.037582       5.581782 
1 1 1 29  19 7  o 92.17900 5.903691 1046.044       131.6612 1046.044       131.6612 0.000000       0.000000 92.17900 5.903691 ?        ?        ?              ?        
1 1 1 29  19 8  o 83.06808 3.204066 842.2731       64.20963 936.9633       93.59909 758.0983       88.24914 87.48750 4.422046 78.64866 4.637852 8.838844       6.408133 
1 1 1 29  19 9  o 94.57744 2.999687 1097.124       68.51329 1179.229       97.32619 1016.467       96.46442 98.12848 4.099514 91.02639 4.380236 7.102089       5.999373 
1 1 1 29  19 10 o 40.44247 5.626099 215.4335       53.08204 208.5592       75.24617 222.2436       74.89375 39.72936 8.102948 41.15558 7.807316 -1.426220      11.25220 
1 1 1 29  19 11 o 17.85972 5.699505 -27.56746      52.07570 -29.19547      70.74361 -25.64186      76.93803 17.35609 7.854234 18.36335 8.261261 -1.007261      11.39901 
1 1 1 29  19 12 o 39.85703 5.511275 239.2499       55.87788 396.1853       75.74816 51.89931       82.76353 55.99373 5.591526 23.72032 9.499022 32.27341       11.02255 
1 1 1 29  19 13 o 28.97079 6.340715 101.5338       56.58276 13.90092       76.52531 207.2277       84.04207 20.11419 8.666297 37.82738 9.258184 -17.71319      12.68143 
1 1 1 29  19 14 o 48.39604 5.165101 321.2423       60.43266 305.7979       83.89997 337.8951       87.12035 47.14864 7.355130 49.64345 7.253630 -2.494808      10.33020 
1 1 1 29  21 0  o 142.5918 2.871515 2470.802       98.93265 2447.785       136.1857 2496.522       143.9617 141.9055 3.966705 143.2780 4.153029 -1.372498      5.743030 
1 1 1 29  21 1  o 163.3592 2.953766 3247.594       116.7146 3320.247       164.8523 3174.575       165.2674 165.2033 4.124524 161.5151 4.229331 3.688202       5.907532 
1 1 1 29  21 2  o 30.35374 5.969912 110.6796       49.18508 182.7072       71.91735 47.38443       67.41697 37.71555 8.121639 22.99193 8.752050 14.72362       11.93982 
1 1 1 29  21 3  o 100.9465 2.923348 1241.025       71.37273 1260.511       102.5261 1222.703       99.41826 101.7094 4.166493 100.1837 4.101729 1.525764       5.846696 
1 1 1 29  21 4  o 107.5816 2.833767 1410.618       73.72289 1470.480       105.0117 1352.439       103.5240 109.8432 3.951503 105.3199 4.062826 4.523338       5.667533 
1 1 1 29  21 5  o 175.9995 3.025988 3784.829       128.8305 3780.008       180.6222 3789.821       183.8072 175.8998 4.244275 176.0992 4.314225 -0.1994019     6.051976 
1 1 1 29  21 6  o 59.92470 3.862408 439.3292       55.78702 490.9913       82.97034 396.7028       75.36623 63.12217 5.432986 56.72723 5.491398 6.394932       7.724816 
1 1 1 29  21 7  f 100.8600 3.138271 1248.634       76.56286 1235.129       109.0258 1261.773       107.5419 100.3040 4.492715 101.4159 4.382978 -1.111916      6.276542 
1 1 1 29  21 8  o 26.26854 6.641218 79.77375       53.94166 98.29131       75.95913 60.93493       76.61517 27.99038 9.450493 24.54670 9.333344 3.443684       13.28244 
1 1 1 29  21 9  o 62.48340 3.951779 488.5194       59.42335 551.7452       84.88783 427.7655       83.21185 66.56367 5.271156 58.40313 5.889070 8.160534       7.903558 
1 1 1 29  21 10 o 68.34732 3.784803 588.1877       62.32020 626.3759       86.39223 546.7567       89.98569 70.80591 5.043162 65.88873 5.644949 4.917183       7.569606 
1 1 1 29  21 11 o 62.17929 4.165468 493.8213       62.62902 513.8720       88.88293 474.0497       88.26195 63.49072 5.786365 60.86786 5.993536 2.622864       8.330936 
1 1 1 29  21 12 o 43.30807 5.911483 258.7018       60.30529 197.5675       80.54317 336.6990       90.97573 36.72697 9.108860 49.88916 7.537322 -13.16220      11.82297 
1 1 1 29  21 13 o 16.14620 5.440813 -73.19972      59.27225 -45.25920      79.68089 -107.8140      88.68792 16.75626 7.846358 15.53614 7.539526 1.220123       10.88163 
1 1 1 29  23 0  o 94.44980 3.118119 1087.418       71.02014 970.4181       97.90676 1217.349       103.1755 89.07252 4.543251 99.82709 4.271949 -10.75457      6.236239 
1 1 1 29  23 1  o 62.79022 3.792469 482.9190       57.40675 543.8607       83.75887 428.9312       78.83543 66.54206 5.202742 59.03839 5.519308 7.503674       7.584938 
1 1 1 29  23 2  o 75.76694 3.425632 701.9780       62.67197 742.0387       92.22791 667.6088       85.42555 77.75578 4.902610 73.77809 4.785839 3.977692       6.851265 
1 1 1 29  23 3  o 54.97515 4.190920 373.5939       55.60971 380.5335       81.80080 367.6309       75.82657 55.41205 6.101702 54.53826 5.746691 0.8737946      8.381840 
1 1 1 29  23 4  o 92.90634 3.091430 1049.551       69.15582 1155.404       104.1946 966.2043       92.45643 97.03777 4.438150 88.77490 4.304717 8.262871       6.182860 
1 1 1 29  23 5  o 75.37435 3.484606 707.4479       62.90807 615.3707       90.99721 791.7374       87.06397 70.50612 5.334564 80.24258 4.484678 -9.736465      6.969212 
1 1 1 29  23 6  o 63.79769 3.827132 508.4921       58.68321 477.5634       86.35561 535.0295       79.99059 61.86937 5.769160 65.72601 5.030362 -3.856640      7.654263 
1 1 1 29  23 7  o 78.98311 3.391124 770.5526       64.66674 836.2971       94.87843 713.5146       88.37289 82.12504 4.775179 75.84118 4.816280 6.283859       6.782248 
1 1 1 29  23 8  o 73.60320 4.060609 686.0992       71.96638 635.4591       104.0586 732.5273       99.63702 70.81016 6.074072 76.39622 5.390717 -5.586067      8.121219 
1 1 1 29  23 9  o 31.86774 6.999821 143.8526       59.86208 125.1057       82.76978 164.4132       86.68112 29.93311 9.859740 33.80237 9.938586 -3.869261      13.99964 
1 1 1 29  23 10 o 37.91344 6.848551 211.5207       62.78349 204.5366       84.35658 220.1935       94.00324 37.42836 9.344458 38.39852 10.01458 -0.9701576     13.69710 
1 1 1 29  23 11 o 34.84264 7.967075 212.2302       85.99816 93.83701       141.4729 281.6181       108.3058 27.69773 11.85526 41.98756 10.64659 -14.28982      15.93415 
1 1 1 29  23 12 o 25.36794 7.706006 52.40139       87.47549 190.3629       138.3491 -39.48840      112.9096 31.12803 12.34123 19.60785 9.231688 11.52017       15.41201 
1 1 1 29  25 0  o 23.35592 6.384957 41.24665       52.83349 86.56222       79.05215 4.665445       71.02627 27.06303 9.614013 19.64881 8.404849 7.414223       12.76991 
1 1 1 29  25 1  o 60.48211 4.159892 458.3465       60.32162 527.0893       85.30365 389.5908       85.31165 65.18047 5.409384 55.78374 6.321183 9.396729       8.319783 
1 1 1 29  25 2  o 44.11217 5.429231 249.2849       56.57483 275.5569       85.19208 228.5579       75.66953 46.49621 7.573199 41.72814 7.781570 4.768070       10.85846 
1 1 1 29  25 3  o 23.05111 6.418156 44.82872       53.95966 8.987647       82.95115 71.11995       71.04564 21.18414 9.072879 24.91807 9.080406 -3.733932      12.83631 
1 1 1 29  25 4  o 82.46526 3.474100 840.3071       69.10989 930.2531       101.9244 763.7628       94.02512 86.54751 4.867672 78.38300 4.958150 8.164505       6.948200 
1 1 1 29  25 5  o 86.32275 3.372958 924.4780       70.28642 966.8494       103.6597 888.4200       95.62571 88.10082 4.863262 84.54467 4.675049 3.556152       6.745917 
1 1 1 29  25 6  o 37.84162 6.569200 200.9912       61.55435 273.2489       88.69356 133.8489       85.49644 44.71452 8.509512 30.96871 10.01028 13.74581       13.13840 
1 1 1 29  25 7  o 72.06586 5.124191 666.1431       86.15874 750.7436       145.1386 620.1071       107.0644 74.86007 8.013649 69.27165 6.388329 5.588417       10.24838 
1 1 1 29  25 8  o 113.3562 4.702988 1709.954       126.5111 1367.043       179.9320 2045.211       177.9127 100.9374 7.368074 125.7749 5.846696 -24.83756      9.405975 
1 1 1 30  0  0  o 308.4248 4.108768 11522.97       433.2419 11522.97       433.2419 11522.97       433.2419 308.4248 5.810676 308.4248 5.810676 0.000000       0.000000 
1 1 1 30  0  1  o 333.5708 4.387527 13479.12       500.3640 13479.12       500.3640 13479.12       500.3640 333.5708 6.204899 333.5708 6.204899 0.000000       0.000000 
1 1 1 30  0  2  o 660.5641 8.206819 52921.04       1853.552 52921.04       1853.552 52921.04       1853.552 660.5641 11.60619 660.5641 11.60619 0.000000       0.000000 
1 1 1 30  0  3  o 143.9609 2.570132 2512.374       126.4129 2512.374       126.4129 2512.374       126.4129 143.9609 3.634716 143.9609 3.634716 0.000000       0.000000 
1 1 1 30  0  4  o 109.8178 2.391787 1463.376       89.67651 1463.376       89.67651 1463.376       89.67651 109.8178 3.382498 109.8178 3.382498 0.000000       0.000000 
1 1 1 30  0  5  o 330.3453 4.355909 13227.89       491.9530 13227.89       491.9530 13227.89       491.9530 330.3453 6.160186 330.3453 6.160186 0.000000       0.000000 
1 1 1 30  0  6  o 266.7516 3.666787 8624.627       334.3795 8624.627       334.3795 8624.627       334.3795 266.7516 5.185619 266.7516 5.185619 0.000000       0.000000 
1 1 1 30  0  7  o 56.94392 2.757141 397.9560       53.14019 397.9560       53.14019 397.9560       53.14019 56.94392 3.899187 56.94392 3.899187 0.000000       0.000000 
1 1 1 30  0  8  o 12.00416 5.294241 10.35366       44.28079 10.35366       44.28079 10.35366       44.28079 12.00416 7.487188 12.00416 7.487188 0.000000       0.000000 
1 1 1 30  0  9  o 95.86150 2.423119 1116.507       79.24568 1116.507       79.24568 1116.507       79.24568 95.86150 3.426807 95.86150 3.426807 0.000000       0.000000 
1 1 1 30  0  10 o 46.56589 3.650556 272.2210       56.33516 272.2210       56.33516 272.2210       56.33516 46.56589 5.162666 46.56589 5.162666 0.000000       0.000000 
1 1 1 30  0  11 o 145.9426 2.610789 2584.263       130.1795 2584.263       130.1795 2584.263       130.1795 145.9426 3.692214 145.9426 3.692214 0.000000       0.000000 
1 1 1 30  0  12 o 25.26933 6.453470 103.0693       51.15845 103.0693       51.15845 103.0693       51.15845 25.26933 9.126585 25.26933 9.126585 0.000000       0.000000 
1 1 1 30  0  13 o 22.52069 6.824447 88.36156       53.77233 88.36156       53.77233 88.36156       53.77233 22.52069 9.651226 22.52069 9.651226 0.000000       0.000000 
1 1 1 30  0  14 o 39.49779 4.833788 206.7317       59.45717 206.7317       59.45717 206.7317       59.45717 39.49779 6.836009 39.49779 6.836009 0.000000       0.000000 
1 1 1 30  0  15 o 166.2527 2.814001 3367.673       159.8629 3367.673       159.8629 3367.673       159.8629 166.2527 3.979598 166.2527 3.979598 0.000000       0.000000 
1 1 1 30  0  16 o 13.98908 6.150163 18.33645       59.28309 18.33645       59.28309 18.33645       59.28309 13.98908 8.697644 13.98908 8.697644 0.000000       0.000000 
1 1 1 30  0  17 o 90.97624 3.041830 1019.986       94.20238 1019.986       94.20238 1019.986       94.20238 90.97624 4.301797 90.97624 4.301797 0.000000       0.000000 
1 1 1 30  0  18 o 30.49550 8.130807 164.1276       79.42721 164.1276       79.42721 164.1276       79.42721 30.49550 11.49870 30.49550 11.49870 0.000000       0.000000 
1 1 1 30  0  19 o 8.166874 4.248584 -221.2699      82.86669 -221.2699      82.86669 -221.2699      82.86669 8.166874 6.008405 8.166874 6.008405 0.000000       0.000000 
1 1 1 30  2  0  o 493.3040 7.153194 29692.89       747.3647 29910.36       869.5266 29077.93       1462.201 497.0112 7.231267 489.5969 12.34429 7.414337       14.30639 
1 1 1 30  2  1  o 25.54485 4.819927 91.86212       31.53483 114.7304       35.91032 14.80071       65.92058 30.78922 4.820791 20.30049 8.347858 10.48874       9.639853 
1 1 1 30  2  2  o 350.5809 5.350408 14456.80       378.3886 14120.54       427.2016 15681.14       815.1663 341.5360 5.170042 359.6257 9.368999 -18.08969      10.70082 
1 1 1 30  2  3  o 397.5482 6.025163 18346.12       473.2812 17780.07       529.2275 20606.78       1057.626 383.1650 5.708923 411.9313 10.61219 -28.76627      12.05033 
1 1 1 30  2  4  o 418.9550 6.154098 21609.02       552.6217 21975.25       648.9261 20642.47       1054.216 425.8419 6.298608 412.0680 10.57446 13.77393       12.30820 
1 1 1 30  2  5  o 176.4310 3.223182 3817.121       119.8786 3867.775       139.3384 3672.814       235.1861 178.7613 3.221773 174.1007 5.583529 4.660614       6.446364 
1 1 1 30  2  6  o 121.8219 2.829114 1795.481       71.21421 1794.019       81.67218 1800.119       145.4563 121.7507 2.772685 121.8931 4.932319 -0.1424561     5.658228 
1 1 1 30  2  7  o 232.9053 3.841205 6495.050       184.4654 6422.569       210.8298 6731.708       380.9586 230.2978 3.783901 235.5127 6.685918 -5.214874      7.682409 
1 1 1 30  2  8  o 102.8691 2.900055 1191.388       66.04137 1073.700       77.32693 1508.626       126.9575 94.16655 3.394156 111.5717 4.703294 -17.40516      5.800110 
1 1 1 30  2  9  f 226.5474 3.768471 6225.263       178.5532 6225.000       206.0222 6226.056       357.9065 226.6933 3.756411 226.4016 6.534132 0.2917328      7.536942 
1 1 1 30  2  10 o 195.7476 3.472868 4522.389       138.6273 4418.755       157.2422 4883.998       293.7229 190.9935 3.402892 200.5017 6.055046 -9.508224      6.945737 
1 1 1 30  2  11 o 152.3100 3.116054 2797.313       97.79092 2781.189       111.8849 2849.494       201.2700 151.5120 3.052263 153.1079 5.433494 -1.595886      6.232108 
1 1 1 30  2  12 o 134.7992 3.017175 2227.191       84.37543 2246.240       97.19852 2168.947       169.9622 136.1286 2.951265 133.4699 5.263404 2.658630       6.034350 
1 1 1 30  2  13 o 78.18588 3.044652 648.6248       49.42053 571.1788       55.57973 941.1066       108.0106 68.57639 3.349959 87.79538 5.085018 -19.21899      6.089305 
1 1 1 30  2  14 o 133.6957 3.199297 2182.066       86.78358 2179.262       98.78133 2191.553       181.6831 133.8948 3.049362 133.4967 5.625247 0.3980560      6.398595 
1 1 1 30  2  15 o 57.09461 3.510392 404.1608       48.05924 457.5392       67.24956 348.4455       68.70591 61.05396 4.552744 53.13526 5.344523 7.918701       7.020784 
1 1 1 30  2  16 o 28.12046 5.938449 103.4863       44.74734 133.7401       62.58036 71.83605       64.00839 31.65989 8.128383 24.58102 8.659683 7.078876       11.87690 
1 1 1 30  2  17 f 19.12423 5.669865 2.684586       46.82552 51.21832       67.12865 -43.31091      65.34973 22.49113 8.689858 15.75733 7.285316 6.733796       11.33973 
1 1 1 30  2  18 o 80.10272 3.452928 810.5423       66.86684 854.6440       96.30640 769.4938       92.91287 82.23423 4.840611 77.97121 4.925375 4.263023       6.905855 
1 1 1 30  2  19 f 24.85622 6.876349 86.32930       59.96353 89.46770       86.92683 83.48014       82.82433 25.14612 9.840316 24.56633 9.607543 0.5797977      13.75270 
1 1 1 30  4  0  o 153.3319 3.040803 2910.012       98.78814 2983.276       115.4948 2710.292       190.6901 157.0248 3.040129 149.6391 5.267213 7.385727       6.081605 
1 1 1 30  4  1  o 308.7924 4.754980 11538.87       307.1030 11529.99       354.2590 11565.74       616.0516 308.6419 4.744207 308.9428 8.242077 -0.3009033     9.509960 
1 1 1 30  4  2  o 114.6482 2.754194 1458.132       63.96600 1360.303       71.70473 1839.381       141.5529 106.0298 2.795230 123.2665 4.746477 -17.23673      5.508389 
1 1 1 30  4  3  o 169.7229 3.193796 3399.401       110.4182 3327.303       125.2216 3651.398       234.1072 165.8158 3.121413 173.6301 5.572981 -7.814301      6.387592 
1 1 1 30  4  4  o 382.9839 5.714658 17847.04       459.9667 17895.73       532.4128 17703.75       913.3311 384.3191 5.726038 381.6487 9.891499 2.670380       11.42932 
1 1 1 30  4  5  o 238.8839 3.896351 7003.377       197.2634 7100.971       229.9822 6731.708       383.7102 242.1755 3.925198 235.5922 6.731940 6.583359       7.792701 
1 1 1 30  4  6  o 128.9295 2.897009 1987.734       76.35407 1966.119       86.93372 2060.678       159.7011 127.4538 2.819248 130.4052 5.061866 -2.951485      5.794018 
1 1 1 30  4  7  o 220.8552 3.744769 5654.109       165.0464 5467.209       185.1530 6377.157       364.1749 212.4863 3.601617 229.2242 6.566700 -16.73798      7.489539 
1 1 1 30  4  8  o 103.2742 2.917742 1294.054       60.93399 1295.671       69.26706 1288.519       128.1376 103.4588 2.767304 103.0895 5.137596 0.3693390      5.835483 
1 1 1 30  4  9  o 137.9510 2.983462 2278.715       84.39518 2254.878       96.23253 2358.120       175.6386 136.4712 2.914598 139.4308 5.206659 -2.959595      5.966924 
1 1 1 30  4  10 o 136.1704 3.067718 2298.582       86.42461 2347.594       99.75681 2151.101       173.0457 139.2312 2.961445 133.1096 5.373400 6.121613       6.135437 
1 1 1 30  4  11 o 218.8195 3.741429 5925.170       172.8703 6039.053       201.4777 5607.376       336.5661 223.1529 3.731832 214.4862 6.485876 8.666687       7.482858 
1 1 1 30  4  12 o 102.8895 3.148023 1361.099       65.32561 1429.038       75.20055 1152.171       131.8739 108.5753 2.862778 97.20370 5.607556 11.37159       6.296045 
1 1 1 30  4  13 o 69.42793 3.565646 567.8160       49.66410 551.9183       55.91356 627.2457       108.1067 67.39153 3.429332 71.46435 6.252600 -4.072823      7.131292 
1 1 1 30  4  14 o 101.3481 3.303385 1253.419       65.41621 1250.498       73.38488 1264.723       144.3453 101.4206 2.990736 101.2756 5.891088 0.1450348      6.606770 
1 1 1 30  4  15 o 84.64251 3.865124 981.5754       61.26490 1051.317       69.31100 732.4212       131.0056 92.89497 3.083952 76.39005 7.088439 16.50493       7.730248 
1 1 1 30  4  16 f 79.81247 3.751088 751.3389       59.44712 721.7014       66.56139 868.1737       132.1563 76.73559 3.585281 82.88936 6.590023 -6.153770      7.502176 
1 1 1 30  4  17 o 47.98214 6.703859 327.2981       65.42594 336.8731       75.41211 298.1559       131.5623 51.45747 6.057456 44.50681 11.96136 6.950661       13.40772 
1 1 1 30  4  18 f 27.32597 6.369437 91.13062       55.79875 10.59909       77.35131 178.5031       80.56976 19.86458 8.635388 34.78736 9.365308 -14.92278      12.73887 
1 1 1 30  4  19 o 16.95922 5.642067 -55.81742      60.29922 -99.07612      85.04243 -12.08025      85.51145 15.27189 7.404772 18.64654 8.514755 -3.374645      11.28413 
1 1 1 30  6  0  o 218.4424 3.668329 5921.790       171.6962 6100.018       202.2680 5462.225       324.7971 224.5132 3.723770 212.3716 6.321399 12.14156       7.336658 
1 1 1 30  6  1  o 440.0010 6.513376 23283.77       592.5685 23098.32       678.6779 23878.64       1215.520 436.6687 6.424056 443.3334 11.33260 -6.664703      13.02675 
1 1 1 30  6  2  o 438.0897 6.504474 22996.77       586.1110 22732.85       669.1357 23866.74       1214.858 433.1453 6.385255 443.0341 11.33407 -9.888824      13.00895 
1 1 1 30  6  3  f 46.93653 4.856097 329.5562       38.23067 364.4324       42.80835 192.1475       84.97092 54.87375 3.224494 38.99931 9.161296 15.87444       9.712193 
1 1 1 30  6  4  o 242.9827 3.987742 7098.335       200.4876 7046.649       229.7198 7263.534       410.6926 241.2509 3.935746 244.7145 6.936732 -3.463623      7.975484 
1 1 1 30  6  5  o 176.0113 3.274459 3831.885       121.5158 3918.222       141.6064 3590.720       236.6686 179.9125 3.253263 172.1100 5.683713 7.802460       6.548917 
1 1 1 30  6  6  o 116.6420 2.962325 1662.151       70.25558 1674.386       80.16917 1621.654       145.8523 117.6159 2.817338 115.6680 5.211917 1.947891       5.924650 
1 1 1 30  6  7  o 384.1180 5.786662 17775.74       458.7493 17621.27       524.9592 18274.84       943.6406 381.1606 5.692661 387.0753 10.07648 -5.914795      11.57332 
1 1 1 30  6  8  o 151.3977 3.143163 2738.420       96.57997 2706.097       109.6050 2850.684       204.2676 149.5026 3.030256 153.2929 5.507762 -3.790268      6.286326 
1 1 1 30  6  9  f 61.49933 3.981867 478.6683       45.79510 490.7570       51.00871 428.4355       103.9796 63.65575 3.312107 59.34291 7.242307 4.312843       7.963735 
1 1 1 30  6  10 o 53.46879 4.462401 357.2649       43.06688 362.2333       47.37442 333.6110       103.3687 54.67142 3.581635 52.26616 8.174595 2.405270       8.924803 
1 1 1 30  6  11 o 82.95177 3.481930 870.4995       54.10598 891.6281       60.28468 782.9863       122.6898 85.77892 2.904852 80.12460 6.329075 5.654320       6.963861 
1 1 1 30  6  12 f 92.40286 3.344714 1070.145       59.88009 1091.712       67.35335 988.8162       130.7935 94.87720 2.934236 89.92852 6.011549 4.948685       6.689428 
1 1 1 30  6  13 f 63.01071 4.444822 531.6934       49.61058 555.2480       54.84105 425.5800       116.3998 67.58104 3.354120 58.44038 8.232597 9.140659       8.889645 
1 1 1 30  6  14 o 60.48951 4.211819 401.3634       47.64770 375.1592       52.03426 537.4182       118.5662 55.43514 3.879733 65.54387 7.476987 -10.10873      8.423637 
1 1 1 30  6  15 o 60.55446 4.319188 449.7838       50.57586 444.9185       56.47726 469.4825       113.6422 60.27747 3.872722 60.83146 7.721630 -0.5539856     8.638376 
1 1 1 30  6  16 o 21.01192 6.471579 -10.86979      46.33834 -26.05196      50.62532 67.55502       115.0609 14.51064 6.597157 27.51321 11.13566 -13.00257      12.94316 
1 1 1 30  6  17 o 34.45424 7.557041 133.2196       54.08335 111.3543       58.68762 256.3950       139.2936 28.47468 8.121339 40.43379 12.74674 -11.95911      15.11408 
1 1 1 30  6  18 o 24.61641 6.431750 82.27027       56.37833 120.5157       60.93705 -145.0327      148.5574 28.90512 8.285920 20.32769 9.839368 8.577423       12.86350 
1 1 1 30  8  0  o 189.3975 2.927397 4342.316       134.1386 4328.653       189.1809 4356.130       190.2246 189.0980 4.135118 189.6969 4.144804 -0.5989075     5.854794 
1 1 1 30  8  1  o 322.6599 4.276406 12601.58       333.5735 12944.03       483.3986 12290.28       460.8940 326.8343 6.113297 318.4854 5.981487 8.348846       8.552812 
1 1 1 30  8  2  o 238.7274 3.385719 6896.509       195.4444 6737.505       271.0408 7068.741       282.0905 235.8655 4.749721 241.5893 4.826234 -5.723877      6.771439 
1 1 1 30  8  3  o 131.9223 2.527661 2105.129       80.63701 2020.074       112.3873 2195.370       115.7635 129.1776 3.596068 134.6670 3.553107 -5.489426      5.055321 
1 1 1 30  8  4  o 290.3107 3.931255 10214.71       276.1032 10292.01       393.0499 10139.42       387.9381 291.3932 5.575272 289.2282 5.543953 2.164948       7.862510 
1 1 1 30  8  5  f 39.68820 5.519367 240.5110       39.16505 265.9575       43.30661 126.2344       91.77386 46.86419 3.819537 32.51221 10.35687 14.35198       11.03873 
1 1 1 30  8  6  o 91.96285 3.116248 1031.912       57.65711 1037.816       65.48147 1011.541       121.6326 92.59241 2.923080 91.33329 5.504509 1.259125       6.232497 
1 1 1 30  8  7  o 110.3185 3.164087 1564.330       70.19286 1645.312       80.73283 1313.504       142.0830 116.5815 2.862319 104.0555 5.643838 12.52599       6.328174 
1 1 1 30  8  8  o 198.8464 3.761759 4821.231       170.2753 4869.775       208.6969 4724.569       294.4942 200.4505 4.303348 197.2424 6.171266 3.208130       7.523519 
1 1 1 30  8  9  o 34.25326 5.865161 138.3607       39.32954 135.2763       43.18425 153.3611       95.23256 33.38018 5.347298 35.12634 10.44064 -1.746159      11.73032 
1 1 1 30  8  10 o 69.26309 3.879697 587.2917       49.85080 589.4805       55.08791 577.3944       117.1425 69.74088 3.264875 68.78529 7.039090 0.9555893      7.759394 
1 1 1 30  8  11 o 190.1778 3.536002 4386.473       137.5388 4373.089       156.9772 4430.696       285.3493 189.8629 3.417387 190.4927 6.191504 -0.6297913     7.072004 
1 1 1 30  8  12 o 120.6190 3.268078 1740.171       76.89135 1717.470       85.95963 1831.053       171.9945 118.9601 2.986694 122.2778 5.813862 -3.317650      6.536156 
1 1 1 30  8  13 o 101.6265 3.469075 1248.825       66.26580 1239.381       73.32623 1290.898       154.7757 100.9842 3.001261 102.2689 6.255426 -1.284706      6.938149 
1 1 1 30  8  14 o 102.9389 3.526139 1274.757       68.82079 1257.256       76.25837 1351.576       159.7676 101.6102 3.102045 104.2677 6.333399 -2.657516      7.052278 
1 1 1 30  8  15 o 82.51066 3.886497 758.2929       58.15420 717.1213       63.12677 989.1732       149.4886 76.58173 3.407109 88.43958 6.986489 -11.85785      7.772993 
1 1 1 30  8  16 o 106.6530 3.705894 1424.195       74.88781 1424.772       83.33992 1421.773       170.6634 107.8336 3.194455 105.4723 6.688053 2.361275       7.411787 
1 1 1 30  8  17 o 54.44300 7.190133 393.6950       58.19834 383.9272       61.62622 474.2415       176.9662 55.31565 4.604847 53.57035 13.62305 1.745296       14.38027 
1 1 1 30  8  18 o 33.65874 8.436167 143.8344       60.26448 124.4676       63.69053 309.4586       186.2550 28.94023 8.522120 38.37725 14.56191 -9.437027      16.87233 
1 1 1 30  10 0  o 81.86191 2.623484 808.8149       51.56360 678.6142       70.81786 955.7270       75.22545 74.86785 3.909715 88.85596 3.499257 -13.98811      5.246968 
1 1 1 30  10 1  o 188.3368 2.932315 4295.109       133.6113 4267.768       188.8013 4322.540       189.1089 187.7359 4.156763 188.9376 4.137054 -1.201721      5.864631 
1 1 1 30  10 2  o 333.7527 4.414919 13507.32       356.4840 13454.70       502.1132 13560.80       506.2006 333.0990 6.230544 334.4064 6.256706 -1.307404      8.829838 
1 1 1 30  10 3  o 330.5843 4.378492 13243.19       349.9700 12944.84       484.5202 13568.64       506.0458 326.7035 6.129932 334.4651 6.253695 -7.761597      8.756985 
1 1 1 30  10 4  o 223.0425 3.265140 6021.127       176.0823 5852.971       243.7549 6204.634       254.6374 219.7919 4.583945 226.2932 4.651021 -6.501328      6.530280 
1 1 1 30  10 5  o 118.4921 2.566739 1700.069       73.57758 1725.933       104.6614 1674.796       103.4578 119.3833 3.623604 117.6010 3.636220 1.782341       5.133479 
1 1 1 30  10 6  o 193.6980 3.003444 4543.289       140.6946 4454.792       195.6654 4638.031       202.4526 191.7482 4.217745 195.6477 4.277070 -3.899445      6.006888 
1 1 1 30  10 7  o 304.1857 5.066642 11234.71       349.5135 11203.60       425.5001 11299.23       612.8309 303.8129 5.788835 304.5584 8.317020 -0.7455139     10.13328 
1 1 1 30  10 8  o 87.23386 3.555212 908.7420       57.67322 900.6382       63.56754 946.4604       137.1413 86.23676 3.046777 88.23094 6.424585 -1.994179      7.110425 
1 1 1 30  10 9  o 346.1555 5.307863 14786.46       388.1768 14958.52       451.7577 14301.01       758.8378 350.8336 5.322334 341.4774 9.185118 9.356201       10.61573 
1 1 1 30  10 10 o 98.57384 3.460781 1125.490       63.60343 1095.204       69.87433 1271.862       153.6133 95.05213 3.038460 102.0956 6.218987 -7.043419      6.921563 
1 1 1 30  10 11 o 66.61394 4.176826 476.0267       49.44614 448.0462       53.33121 647.3528       131.9670 60.73069 3.629702 72.49719 7.523880 -11.76651      8.353652 
1 1 1 30  10 12 o 31.60452 6.861427 102.7409       43.01131 93.07550       46.15319 166.5675       118.6023 26.93952 7.012890 36.26952 11.79560 -9.330006      13.72285 
1 1 1 30  10 13 o 46.37022 6.773789 313.3863       49.84106 325.2681       53.22173 228.6734       142.1098 51.56562 4.266054 41.17483 12.85837 10.39079       13.54758 
1 1 1 30  10 14 o 53.36013 6.762816 459.9731       54.18229 490.4766       58.29502 266.3891       146.8558 63.30406 3.806253 43.41621 12.97903 19.88785       13.52563 
1 1 1 30  10 15 o 38.13085 7.226818 124.9622       49.76428 94.16539       52.96480 356.9304       145.3611 26.69110 7.746402 49.57059 12.20249 -22.87949      14.45364 
1 1 1 30  10 16 o 44.09527 7.301249 273.8136       56.52721 273.3959       60.58717 276.6211       157.0624 46.55631 5.378978 41.63423 13.57570 4.922085       14.60250 
1 1 1 30  10 17 o 43.02045 7.557395 281.6043       60.91346 281.5654       65.45226 281.8560       166.4764 46.62851 5.801907 39.41240 13.95689 7.216110       15.11479 
1 1 1 30  10 18 o 45.67068 8.127691 360.5319       69.30222 356.0018       73.80588 394.2891       201.4759 51.50644 5.922801 39.83492 15.13796 11.67151       16.25538 
1 1 1 30  12 0  o 61.16165 3.107858 455.9741       45.69417 415.6151       66.43126 492.2158       62.95168 58.57117 4.687986 63.75213 4.081410 -5.180965      6.215716 
1 1 1 30  12 1  o 194.1715 4.276566 4566.780       200.9014 4566.780       200.9014 0.000000       0.000000 194.1715 4.276566 ?        ?        ?              ?        
1 1 1 30  12 2  o 99.41391 3.700991 1196.780       89.01587 0.000000       0.000000 1196.780       89.01587 ?        ?        99.41391 3.700991 ?              ?        
1 1 1 30  12 3  o 236.1647 3.404625 6756.826       194.4827 6646.483       271.4023 6873.289       278.8282 234.1859 4.790165 238.1436 4.839444 -3.957672      6.809251 
1 1 1 30  12 4  o 145.3668 2.706106 2557.013       95.07659 2508.254       131.0534 2611.191       138.1438 143.9081 3.764096 146.8254 3.888910 -2.917267      5.412213 
1 1 1 30  12 5  o 90.69125 2.765243 996.3990       60.63859 951.7107       85.27319 1042.114       86.24693 88.63191 3.976675 92.75059 3.843480 -4.118675      5.530487 
1 1 1 30  12 6  o 67.84541 3.114304 557.8432       51.10640 540.5087       71.76038 575.6843       72.80158 66.77493 4.441902 68.91590 4.366355 -2.140968      6.228607 
1 1 1 30  12 7  o 149.0031 2.741259 2689.700       98.78666 2791.118       141.1715 2592.388       138.2841 151.7565 3.845008 146.2497 3.908185 5.506882       5.482518 
1 1 1 30  12 8  f 104.4010 2.662432 1317.956       67.11003 1267.941       91.41964 1376.406       98.82861 102.2635 3.695018 106.5385 3.834191 -4.275024      5.324864 
1 1 1 30  12 9  o 67.42461 2.987037 551.8403       48.70571 543.6890       67.72440 560.5728       70.09743 66.91167 4.183512 67.93754 4.264715 -1.025871      5.974075 
1 1 1 30  12 10 o 85.28345 3.846555 859.9301       58.78463 846.6879       64.08746 930.1606       147.5899 83.53257 3.171136 87.03432 7.009125 -3.501755      7.693110 
1 1 1 30  12 11 o 94.35618 3.601787 1027.653       63.03828 995.3510       69.10593 1187.745       153.8456 90.51375 3.155720 98.19861 6.475563 -7.684860      7.203574 
1 1 1 30  12 12 o 96.34346 3.808312 1137.779       67.27773 1135.691       74.05344 1147.650       160.9980 96.61247 3.168179 96.07446 6.926443 0.5380173      7.616624 
1 1 1 30  12 13 o 79.83173 4.014432 618.3102       56.28150 553.7140       60.16293 1071.029       159.2720 67.31239 3.694295 92.35105 7.128454 -25.03866      8.028865 
1 1 1 30  12 14 o 106.8083 3.791387 1406.358       74.92825 1399.136       82.66369 1439.619       177.3989 107.0047 3.193077 106.6119 6.877698 0.3928757      7.582775 
1 1 1 30  12 15 o 64.49630 6.450818 630.4160       63.66644 661.2864       69.27847 462.7008       161.4779 73.19933 3.911910 55.79326 12.29427 17.40607       12.90164 
1 1 1 30  12 16 o 19.48808 6.516829 -28.22073      54.39467 -22.16073      58.07283 -71.56454      155.3103 15.65201 7.096631 23.32416 10.93225 -7.672146      13.03366 
1 1 1 30  12 17 o 49.38396 8.063758 422.8284       65.85817 427.7245       69.56183 380.4878       204.5613 57.61232 4.990606 41.15560 15.33593 16.45672       16.12752 
1 1 1 30  14 0  o 67.41988 3.168499 554.0685       51.32011 515.7803       75.54611 586.8788       69.93359 65.23621 4.786533 69.60354 4.152907 -4.367325      6.336998 
1 1 1 30  14 1  o 22.68372 5.762848 50.84133       40.11039 65.31120       61.18561 39.93663       53.11582 24.44989 8.475535 20.91755 7.810697 3.532349       11.52570 
1 1 1 30  14 2  o 315.3537 4.241528 12044.29       323.1625 12511.67       472.3944 11633.17       443.0567 321.0787 6.081224 309.6287 5.914470 11.45001       8.483056 
1 1 1 30  14 3  o 185.7926 3.008822 4170.793       135.0307 3968.359       184.7052 4403.187       197.9016 180.9670 4.218690 190.6183 4.291235 -9.651337      6.017644 
1 1 1 30  14 4  o 395.6946 5.141116 19042.85       492.1570 19166.57       699.7122 18921.72       692.3760 396.9620 7.285647 394.4272 7.255593 2.534882       10.28223 
1 1 1 30  14 5  o 47.51288 4.068611 277.9074       45.96306 332.2534       64.42781 221.5814       65.59096 52.32835 5.089019 42.69741 6.349508 9.630936       8.137221 
1 1 1 30  14 6  o 128.3795 2.758232 1993.453       85.50961 1927.911       116.7188 2069.385       125.6300 126.1122 3.825439 130.6467 3.974593 -4.534508      5.516464 
1 1 1 30  14 7  o 102.7284 2.717175 1281.380       67.46016 1335.742       94.78687 1225.583       96.03145 104.9463 3.733178 100.5104 3.949119 4.435928       5.434350 
1 1 1 30  14 8  o 35.45306 5.113250 160.1290       42.87005 190.5158       58.76324 125.5553       62.68103 39.51089 6.147330 31.39522 8.172615 8.115675       10.22650 
1 1 1 30  14 9  o 74.47157 3.034531 676.4322       54.53885 706.7405       75.68751 643.6987       78.65735 76.22947 4.103921 72.71366 4.471168 3.515808       6.069062 
1 1 1 30  14 10 o 22.94826 5.833977 56.20878       41.26248 55.62450       57.29379 56.83841       59.47524 22.78808 8.175135 23.10843 8.325162 -0.3203564     11.66795 
1 1 1 30  14 11 o 106.3580 3.850474 1380.063       99.08012 1380.063       99.08012 0.000000       0.000000 106.3580 3.850474 ?        ?        ?              ?        
1 1 1 30  14 12 o 52.55251 6.181497 330.1835       51.85952 320.2694       55.47912 398.8102       145.9653 51.07959 4.489313 54.02542 11.51910 -2.945824      12.36299 
1 1 1 30  14 13 o 55.15407 6.566201 451.9389       56.00570 471.5348       60.55816 336.1095       147.2312 61.95459 4.040144 48.35355 12.49549 13.60105       13.13240 
1 1 1 30  14 14 o 37.19639 7.196817 190.2827       53.14375 192.8396       56.93787 172.9923       148.0608 39.05167 6.026419 35.34110 13.07130 3.710575       14.39363 
1 1 1 30  14 15 o 26.74913 7.441392 82.98698       53.77283 89.72550       56.52593 18.82213       174.4271 25.72410 8.121149 27.77416 12.47174 -2.050058      14.88278 
1 1 1 30  14 16 o 32.18633 8.363990 129.9974       60.15142 116.0931       63.48681 251.9929       188.0529 28.19914 8.557235 36.17351 14.37355 -7.974373      16.72798 
1 1 1 30  16 0  o 34.79145 5.627316 153.9843       46.72096 118.7617       66.13440 189.0773       66.01260 30.77639 8.566916 38.80651 7.298951 -8.030113      11.25463 
1 1 1 30  16 1  o 127.5822 2.780037 1970.689       85.77170 2022.345       123.6100 1922.722       119.1139 129.1921 3.954719 125.9722 3.908276 3.219856       5.560074 
1 1 1 30  16 2  o 224.6310 3.362304 6119.440       182.7259 6174.048       258.8534 6065.202       257.9759 225.6315 4.741895 223.6306 4.768102 2.000870       6.724609 
1 1 1 30  16 3  o 239.2474 3.485850 6917.425       201.3012 7353.403       297.3554 6548.584       273.5038 246.1692 4.992749 232.3256 4.865908 13.84363       6.971700 
1 1 1 30  16 4  o 87.76146 2.930102 933.6749       62.18799 945.5463       89.47090 922.5792       86.49858 88.29861 4.188182 87.22430 4.098917 1.074310       5.860204 
1 1 1 30  16 5  o 77.54535 3.032157 729.9604       56.87354 745.0911       80.23059 714.6773       80.63360 78.35654 4.232163 76.73415 4.343352 1.622391       6.064315 
1 1 1 30  16 6  o 80.63478 3.023465 786.5976       58.83114 749.4368       79.78051 830.8900       87.10011 78.56111 4.197463 82.70846 4.352777 -4.147346      6.046930 
1 1 1 30  16 7  o 151.6455 2.827070 2794.445       103.7066 2838.149       146.3153 2750.322       147.0137 152.8440 3.956753 150.4470 4.038984 2.397018       5.654139 
1 1 1 30  16 8  o 71.66905 3.265552 626.3920       56.36812 550.7765       78.62107 706.3739       80.85915 67.19000 4.836509 76.14811 4.389022 -8.958107      6.531105 
1 1 1 30  16 9  o 184.9651 3.030394 4174.449       135.5788 4156.799       189.5446 4192.940       194.0079 184.5801 4.244478 185.3501 4.326378 -0.7699585     6.060787 
1 1 1 30  16 10 o 125.0786 2.831257 1910.531       85.64399 1984.016       121.8948 1838.887       120.3576 127.4689 3.952564 122.6883 4.054787 4.780556       5.662514 
1 1 1 30  16 11 o 57.55881 3.802397 406.5056       52.64436 383.4472       70.06712 436.3959       79.77469 55.73876 5.195827 59.37886 5.553042 -3.640106      7.604794 
1 1 1 30  16 12 o 76.30263 3.337149 720.3188       61.49113 738.6686       85.13207 700.3022       88.91436 77.37721 4.547554 75.22805 4.885284 2.149162       6.674297 
1 1 1 30  16 13 o 16.90719 5.606073 -38.94937      49.38983 -1.200692      52.45695 -333.7299      146.5891 16.47717 7.136995 17.33721 8.647284 -0.8600388     11.21215 
1 1 1 30  16 14 o 26.71788 7.758844 51.94479       56.00972 39.08396       59.73983 145.3896       161.0301 20.53112 8.119226 32.90464 13.22410 -12.37352      15.51769 
1 1 1 30  16 15 f 49.88794 8.053027 362.9418       64.97000 352.9207       68.84050 444.6163       196.5298 52.30879 5.439600 47.46710 15.15967 4.841690       16.10605 
1 1 1 30  16 16 o 24.38458 7.866400 45.05424       64.77464 36.46466       67.83131 133.9679       218.2370 19.90408 8.349680 28.86509 13.33431 -8.961006      15.73280 
1 1 1 30  18 0  o 28.99303 5.687039 103.7977       47.22991 18.19475       71.20784 171.0367       63.10939 21.16692 8.686893 36.81914 7.342178 -15.65222      11.37408 
1 1 1 30  18 1  o 163.7434 2.908589 3250.957       115.2055 3325.422       164.6597 3179.548       161.2444 165.5799 4.110336 161.9069 4.116394 3.673050       5.817178 
1 1 1 30  18 2  o 206.3608 3.196732 5154.748       159.3441 5452.316       233.5416 4895.568       217.9577 211.9105 4.555222 200.8111 4.486238 11.09947       6.393464 
1 1 1 30  18 3  o 112.3926 2.806307 1532.764       76.25943 1528.160       105.8829 1537.726       109.9249 112.2234 3.899779 112.5619 4.036478 -0.3384476     5.612613 
1 1 1 30  18 4  o 110.1546 2.828131 1474.033       75.27226 1568.531       106.8673 1380.993       106.0397 113.6715 3.885892 106.6377 4.110127 7.033775       5.656262 
1 1 1 30  18 5  o 27.52756 6.016913 90.79924       45.31410 123.8608       65.35122 60.18358       62.88739 31.16999 8.452714 23.88512 8.565313 7.284864       12.03383 
1 1 1 30  18 6  o 60.10653 3.538460 439.6693       51.35395 480.4816       74.65411 403.0103       70.75366 62.75600 4.916955 57.45705 5.089829 5.298946       7.076921 
1 1 1 30  18 7  o 98.64597 4.020246 1157.596       84.45054 1119.048       97.66183 1271.862       168.1454 95.80429 4.213447 101.4876 6.848092 -5.683342      8.040491 
1 1 1 30  18 8  o 25.94416 5.967763 71.91989       47.18333 133.0171       68.06714 15.40718       65.46361 31.96763 8.608830 19.92070 8.267094 12.04693       11.93553 
1 1 1 30  18 9  o 52.38370 4.396420 347.5286       54.11562 433.6207       75.78663 257.9688       77.29784 59.32605 5.280133 45.44134 7.030948 13.88471       8.792840 
1 1 1 30  18 10 o 18.35432 5.562013 -15.09542      47.44041 -71.32831      68.23389 37.52123       66.00343 15.10666 7.131939 21.60199 8.536942 -6.495336      11.12403 
1 1 1 30  18 11 o 70.22295 3.566077 608.8334       60.37648 574.7601       81.36019 650.5957       90.07359 68.08419 4.939277 72.36169 5.145012 -4.277504      7.132154 
1 1 1 30  18 12 o 60.33346 4.098454 459.4780       59.72787 459.3964       82.20780 459.5692       86.92543 60.40064 5.625605 60.26628 5.961700 0.1343575      8.196908 
1 1 1 30  18 13 o 32.06260 6.806479 147.3871       57.25109 130.2746       79.94653 165.4004       82.02397 30.27318 9.668915 33.85202 9.582520 -3.578838      13.61296 
1 1 1 30  18 14 o 35.00104 6.901762 221.2952       70.97323 269.2357       77.91880 -12.21892      171.9678 44.61597 7.218544 25.38612 11.76562 19.22985       13.80352 
1 1 1 30  18 15 o 28.03886 7.942942 119.8153       65.27235 119.4074       68.79184 123.4979       206.7139 27.56433 8.984345 28.51338 13.10125 -0.9490528     15.88588 
1 1 1 30  20 0  o 151.4402 2.871508 2785.268       105.1793 2877.165       149.5478 2695.315       147.9568 153.9185 4.015937 148.9618 4.105421 4.956757       5.743016 
1 1 1 30  20 1  f 131.0208 2.823643 2083.278       89.45631 2020.016       124.0228 2151.883       129.1538 128.9521 3.975310 133.0895 4.011078 -4.137436      5.647285 
1 1 1 30  20 2  o 27.14110 6.044622 85.25735       47.96210 30.46132       69.48000 135.1368       66.28972 21.80333 8.713292 32.47887 8.380236 -10.67555      12.08924 
1 1 1 30  20 3  o 26.96136 6.341441 86.24964       48.27800 83.69772       71.71361 88.36478       65.28858 26.89979 9.182098 27.02294 8.748974 -0.1231556     12.68288 
1 1 1 30  20 4  f 169.9396 2.953990 3514.244       121.3847 3638.215       175.2222 3399.857       168.3139 172.8143 4.190897 167.0649 4.164207 5.749405       5.907981 
1 1 1 30  20 5  o 98.02789 2.927257 1172.818       69.35066 1113.765       98.26224 1231.428       97.89211 95.54579 4.250821 100.5100 4.025651 -4.964211      5.854515 
1 1 1 30  20 6  o 84.87639 3.023776 881.7005       61.97765 850.8699       89.38804 910.2442       86.00887 83.41409 4.429326 86.33868 4.117518 -2.924583      6.047552 
1 1 1 30  20 7  o 156.0193 2.984287 2978.299       112.6310 2999.676       160.8841 2957.751       157.7313 156.5567 4.247554 155.4818 4.193107 1.074966       5.968573 
1 1 1 30  20 8  o 45.59521 5.299469 265.0343       56.97432 234.7980       78.63042 298.4562       82.66889 42.43335 7.951326 48.75706 7.008132 -6.323719      10.59894 
1 1 1 30  20 9  o 48.29512 4.972155 295.1560       55.92456 233.3710       75.33320 371.0081       83.46970 42.22472 7.656177 54.36552 6.346044 -12.14080      9.944310 
1 1 1 30  20 10 o 29.54367 6.546379 116.3286       52.56631 94.66079       73.79272 138.6512       74.89961 27.22290 9.314146 31.86443 9.201466 -4.641525      13.09276 
1 1 1 30  20 11 o 66.55253 3.894986 561.9317       62.33144 604.1605       86.00571 515.2124       90.46303 69.38648 5.123304 63.71858 5.868171 5.667904       7.789973 
1 1 1 30  20 12 o 24.68488 6.651955 65.55686       58.12494 114.2703       81.70124 15.63287       82.71019 28.50995 9.798977 20.85980 8.998558 7.650156       13.30391 
1 1 1 30  20 13 o 54.21648 4.666070 394.2086       61.01268 415.4648       84.93724 371.5476       87.69893 55.98211 6.271142 52.45085 6.910977 3.531258       9.332139 
1 1 1 30  22 0  o 219.4294 3.357838 5867.760       178.0142 6189.776       260.1787 5584.334       244.0910 225.0611 4.778251 213.7976 4.718964 11.26358       6.715676 
1 1 1 30  22 1  o 91.11658 3.030947 1012.530       66.79048 1032.640       96.07536 993.7217       92.91587 91.98598 4.317060 90.24717 4.255533 1.738808       6.061895 
1 1 1 30  22 2  o 68.03980 3.546595 570.5148       57.97667 500.1169       82.70802 638.5246       81.29308 63.82827 5.355896 72.25134 4.650562 -8.423065      7.093191 
1 1 1 30  22 3  o 92.72172 2.991877 1050.297       67.09788 1061.550       96.21556 1039.643       93.61916 93.19713 4.267175 92.24631 4.194821 0.9508209      5.983754 
1 1 1 30  22 4  o 135.5828 2.862798 2246.301       93.89640 2293.889       133.6216 2199.880       131.9728 137.0071 4.031174 134.1585 4.065968 2.848541       5.725597 
1 1 1 30  22 5  o 23.92398 6.107358 44.67562       48.42736 113.7635       75.27431 -4.112397      63.25608 29.75524 9.369120 18.09272 7.837019 11.66252       12.21472 
1 1 1 30  22 6  f 63.74069 3.814238 504.0509       58.68421 484.0448       84.78522 522.4497       81.30796 62.46409 5.610317 65.01730 5.168944 -2.553204      7.628476 
1 1 1 30  22 7  o 78.83083 3.366382 769.6207       64.05099 722.3750       91.61572 814.7922       89.58207 76.38902 4.957204 81.27264 4.555902 -4.883629      6.732764 
1 1 1 30  22 8  o 86.67387 3.491736 933.9959       73.17225 926.7278       105.1469 940.8211       101.8922 86.30036 5.035950 87.04739 4.838192 -0.7470245     6.983473 
1 1 1 30  22 9  o 27.42894 6.359700 89.08397       53.73759 160.4295       77.58665 23.30195       74.50014 33.91149 9.215878 20.94638 8.766456 12.96511       12.71940 
1 1 1 30  22 10 o 90.06834 3.351127 1019.130       72.87961 1089.958       103.0369 948.2189       103.0978 93.32159 4.563609 86.81510 4.908533 6.506493       6.702255 
1 1 1 30  22 11 o 44.34463 6.088700 285.2950       63.20164 371.4145       88.58241 195.9999       90.20081 52.78462 6.936458 35.90463 10.00873 16.87999       12.17740 
1 1 1 30  22 12 o 18.56839 6.023944 -22.52114      62.02814 9.778277       77.38103 -80.58298      103.7487 19.25197 8.494896 17.88481 8.543322 1.367157       12.04789 
1 1 1 30  24 0  o 70.92229 3.601769 617.5722       61.66824 648.4385       90.92371 591.2773       83.92075 72.53633 5.181068 69.30825 5.004747 3.228081       7.203538 
1 1 1 30  24 1  o 28.75640 6.443995 106.6919       50.53125 87.36144       78.75179 120.2205       65.88203 27.23577 9.604239 30.27703 8.594118 -3.041256      12.88799 
1 1 1 30  24 2  o 84.46918 3.341455 878.6105       68.24023 840.9107       96.42283 916.4410       96.58993 82.62251 4.823688 86.31585 4.625290 -3.693336      6.682909 
1 1 1 30  24 3  o 113.0706 3.011247 1568.643       82.27199 1462.006       114.3435 1683.109       118.4663 109.0605 4.333528 117.0807 4.182221 -8.020195      6.022495 
1 1 1 30  24 4  o 26.80690 6.267722 68.26929       53.36278 162.6487       81.12872 -3.699947      70.84505 34.62540 9.429737 18.98840 8.259384 15.63699       12.53544 
1 1 1 30  24 5  o 77.98125 3.513997 760.1113       65.82462 686.9705       95.53727 826.2101       90.82177 74.23946 5.319070 81.72305 4.593493 -7.483597      7.027993 
1 1 1 30  24 6  o 18.89347 5.905406 -11.74934      52.02139 1.816872       82.40411 -20.73840      67.07747 20.50545 8.913473 17.28149 7.748891 3.223953       11.81081 
1 1 1 30  24 7  o 40.61006 6.274957 228.3179       59.63688 228.5700       89.50289 228.1165       79.97729 40.36598 9.348598 40.85414 8.372817 -0.4881554     12.54991 
1 1 1 30  24 8  o 31.71223 8.437513 141.8522       87.05180 137.2992       138.9369 144.7948       111.6942 31.71791 12.43271 31.70655 11.41027 0.1135826E-01  16.87503 
1 1 1 30  24 9  f 27.52380 8.001328 90.20246       85.22141 71.46937       135.7775 102.3795       109.4699 27.16790 11.62095 27.87969 11.00175 -0.7117977     16.00266 
1 1 1 30  24 10 o 24.49283 7.677859 43.10875       89.61602 -35.78822      166.3440 75.37180       106.3726 23.78396 11.20009 25.20170 10.50505 -1.417734      15.35572 
1 1 1 30  26 0  o 77.90092 3.616823 754.9712       68.07059 702.4288       95.19337 809.9512       97.37646 75.07383 5.241020 80.72800 4.985715 -5.654175      7.233647 
1 1 1 30  26 1  o 24.85442 6.678447 66.47854       55.34578 62.56329       82.41063 69.69524       74.69802 24.82181 9.617715 24.88703 9.268559 -0.6522179E-01 13.35689 
1 1 1 30  26 2  o 29.31724 6.748595 106.6520       55.96606 163.9701       86.93736 66.08804       73.13582 34.25583 9.919524 24.37865 9.152988 9.877178       13.49719 
1 1 1 30  26 3  o 26.97137 7.555896 76.63477       69.84818 58.61987       128.3683 84.21178       83.25120 27.47738 11.50421 26.46537 9.798946 1.012007       15.11179 
1 1 1 31  1  0  o 157.9136 2.650546 3017.514       101.2601 3046.435       143.0873 2988.499       143.3197 158.6719 3.727339 157.1553 3.769418 1.516525       5.301092 
1 1 1 31  1  1  o 365.9357 4.749049 16215.98       420.4465 16168.82       593.2701 16263.55       595.9412 365.4015 6.710885 366.4698 6.721450 -1.068268      9.498097 
1 1 1 31  1  2  o 275.9944 3.762104 9222.391       251.2076 9237.298       355.6687 9207.552       354.8550 276.2169 5.322222 275.7720 5.318614 0.4449768      7.524208 
1 1 1 31  1  3  o 71.22340 2.601094 613.3984       44.78162 601.2471       61.81626 626.8180       64.96235 70.48235 3.625101 71.96446 3.731138 -1.482117      5.202187 
1 1 1 31  1  4  o 331.9299 4.371210 13352.14       351.0318 13393.20       497.7122 13311.50       495.1654 332.4370 6.188233 331.4227 6.175408 1.014282       8.742419 
1 1 1 31  1  5  o 233.3774 3.319360 6596.802       187.4196 6598.569       264.9108 6595.031       265.1922 233.4089 4.691157 233.3459 4.697408 0.6297302E-01  6.638720 
1 1 1 31  1  6  o 284.0033 3.853631 9751.223       264.3156 9376.236       360.9312 10184.90       388.1486 278.1392 5.363644 289.8673 5.534729 -11.72812      7.707263 
1 1 1 31  1  7  o 126.7424 3.038617 1921.878       87.29412 1878.789       105.7066 2014.277       154.7930 124.5659 3.507524 128.9188 4.962868 -4.352837      6.077235 
1 1 1 31  1  8  o 168.8788 3.164360 3587.437       115.0926 3762.301       136.7332 3162.403       213.1751 176.2782 3.206069 161.4793 5.456540 14.79889       6.328721 
1 1 1 31  1  9  o 183.6556 3.314883 4059.320       126.5449 4031.195       145.3247 4147.531       257.3700 182.4510 3.292235 184.8602 5.754561 -2.409134      6.629766 
1 1 1 31  1  10 o 106.4593 2.909048 1374.966       64.47948 1375.998       74.24761 1371.802       130.0522 106.5978 2.878936 106.3208 5.055885 0.2770386      5.818096 
1 1 1 31  1  11 o 111.1200 2.923286 1466.397       67.07731 1438.083       76.57344 1559.786       139.0678 108.9498 2.905023 113.2903 5.073781 -4.340523      5.846573 
1 1 1 31  1  12 o 18.11016 5.307603 14.52438       33.54109 17.65897       38.27323 4.147532       69.63665 16.37986 6.492039 19.84047 8.398573 -3.460608      10.61521 
1 1 1 31  1  13 o 90.87703 2.680124 1004.999       58.80957 1088.125       83.83810 924.4741       82.51623 94.59460 3.663303 87.15946 3.913114 7.435135       5.360247 
1 1 1 31  1  14 o 110.8305 2.617119 1497.159       70.17204 1487.197       98.65103 1507.362       99.83609 110.4595 3.691442 111.2014 3.710862 -0.7418900     5.234237 
1 1 1 31  1  15 o 52.77043 3.677441 345.6030       46.59732 390.2503       65.54239 299.9719       66.26060 56.31176 4.810840 49.22910 5.563283 7.082661       7.354882 
1 1 1 31  1  16 o 86.92543 2.881749 930.7326       60.53200 962.0056       84.58392 897.9023       86.66434 88.46753 3.951860 85.38332 4.195320 3.084206       5.763498 
1 1 1 31  1  17 o 20.84838 6.086936 28.11749       49.75041 32.48626       72.77081 24.28370       68.16978 21.39326 8.780971 20.30350 8.431947 1.089758       12.17387 
1 1 1 31  1  18 o 64.46290 4.025026 535.3669       62.71629 504.8243       87.29569 567.9484       90.16220 62.50801 5.772379 66.41779 5.610969 -3.909771      8.050052 
1 1 1 31  1  19 o 55.65882 4.982741 432.2384       67.07894 442.1288       96.24507 422.8960       93.54063 56.25081 7.072084 55.06683 7.021144 1.183979       9.965483 
1 1 1 31  3  0  o 137.5253 2.922064 2338.446       84.53522 2391.839       98.39758 2187.983       165.1802 140.6011 2.892633 134.4496 5.078041 6.151550       5.844127 
1 1 1 31  3  1  o 339.9832 5.184243 13781.97       361.2665 13592.09       411.5269 14419.99       754.3651 335.0859 5.076211 344.8803 9.040883 -9.794403      10.36849 
1 1 1 31  3  2  o 431.5688 6.335231 22799.73       580.9806 23032.79       677.6951 22153.48       1128.478 436.0501 6.423854 427.0874 10.92130 8.962708       12.67046 
1 1 1 31  3  3  o 334.7351 5.115360 13433.44       352.9813 13298.71       403.5007 13872.70       728.5642 331.3886 5.032738 338.0817 8.907255 -6.693054      10.23072 
1 1 1 31  3  4  o 436.8637 6.452392 23103.23       587.3809 23025.31       676.0316 23343.25       1186.515 435.8292 6.411334 437.8983 11.19948 -2.069092      12.90478 
1 1 1 31  3  5  o 291.6477 4.539364 10348.81       278.2427 10384.10       322.1129 10245.09       552.2589 292.8075 4.546987 290.4880 7.858004 2.319458       9.078729 
1 1 1 31  3  6  o 439.2427 6.563916 22917.75       583.2565 22471.45       659.9916 24509.22       1246.298 430.4054 6.338089 448.0799 11.49646 -17.67447      13.12783 
1 1 1 31  3  7  o 145.5231 2.994787 2638.887       92.17888 2722.389       107.8696 2412.850       177.4769 149.9646 2.973089 141.0816 5.199591 8.883041       5.989574 
1 1 1 31  3  8  o 204.0314 3.520556 5140.925       152.7209 5248.964       178.7038 4848.305       294.1006 208.1902 3.547898 199.8726 6.081913 8.317581       7.041111 
1 1 1 31  3  9  o 55.54196 3.926496 402.3606       41.50882 422.1726       46.80155 329.3278       89.85758 59.04313 3.276337 52.04079 7.136882 7.002335       7.852992 
1 1 1 31  3  10 o 224.0241 3.798293 5971.796       173.8488 5868.988       197.6239 6323.617       365.5836 220.0664 3.711790 227.9818 6.628027 -7.915344      7.596587 
1 1 1 31  3  11 o 146.6481 3.117766 2584.733       93.34677 2562.309       106.2947 2660.322       195.1575 145.4140 3.021365 147.8822 5.454650 -2.468262      6.235531 
1 1 1 31  3  12 f 40.45380 5.288499 225.8281       40.19646 241.0141       45.32622 169.8989       86.98577 44.52916 4.207292 36.37845 9.704206 8.150707       10.57700 
1 1 1 31  3  13 o 84.29499 3.333716 873.4581       55.80592 878.0994       63.08331 856.7520       119.6839 85.03452 3.066315 83.55546 5.920503 1.479065       6.667431 
1 1 1 31  3  14 o 53.19992 5.662527 417.9972       49.21436 448.0044       54.30468 280.0714       116.4251 60.61579 3.702961 45.78406 10.70257 14.83173       11.32505 
1 1 1 31  3  15 o 38.17589 5.497754 118.6813       43.88319 65.17494       48.48710 360.9756       103.1799 23.03510 7.544465 53.31668 7.998889 -30.28157      10.99551 
1 1 1 31  3  16 o 67.01490 3.274063 556.3675       52.73638 478.0421       73.60490 638.9877       75.59595 62.07177 4.901289 71.95803 4.342272 -9.886261      6.548126 
1 1 1 31  3  17 o 58.18555 3.977598 427.7194       55.93267 410.5459       76.93991 446.9673       81.45449 56.96893 5.582276 59.40218 5.667746 -2.433250      7.955197 
1 1 1 31  3  18 o 70.79449 3.882897 644.8286       66.48409 633.1777       92.60057 657.2238       95.51242 70.16279 5.455122 71.42621 5.527134 -1.263420      7.765795 
1 1 1 31  3  19 o 24.54393 6.923714 86.27020       62.11321 73.83250       87.37227 98.97862       88.31805 23.61024 9.648260 25.47762 9.932892 -1.867384      13.84743 
1 1 1 31  5  0  o 625.7206 9.133309 46479.64       1155.461 45595.69       1307.232 49637.12       2470.635 613.2465 8.810802 638.1946 16.00122 -24.94806      18.26662 
1 1 1 31  5  1  o 381.8415 5.732772 17527.65       452.8166 17390.91       518.7272 17965.50       928.2234 378.9565 5.657797 384.7266 9.972363 -5.770111      11.46554 
1 1 1 31  5  2  o 482.3871 7.063000 28272.41       713.2886 28281.51       823.5769 28245.09       1426.878 483.0327 7.047343 481.7416 12.24250 1.291016       14.12600 
1 1 1 31  5  3  o 381.8784 5.727251 17620.29       454.7953 17547.60       522.7781 17846.52       922.2726 380.5714 5.677786 383.1853 9.948283 -2.613983      11.45450 
1 1 1 31  5  4  o 260.4649 4.199038 8082.107       224.1603 7961.303       255.2768 8488.995       468.4991 256.4193 4.114891 264.5105 7.320885 -8.091187      8.398076 
1 1 1 31  5  5  o 264.1039 4.211238 8461.775       232.7557 8466.571       268.6803 8447.353       465.9425 264.4055 4.200131 263.8023 7.300480 0.6032104      8.422477 
1 1 1 31  5  6  o 166.6891 3.185571 3423.424       111.5092 3483.773       129.5087 3250.446       219.2575 169.6408 3.155487 163.7374 5.534831 5.903397       6.371142 
1 1 1 31  5  7  o 168.7785 3.216907 3479.745       113.0737 3507.209       130.4546 3396.788       226.7308 170.2022 3.168049 167.3547 5.599770 2.847504       6.433813 
1 1 1 31  5  8  o 71.73520 3.354145 615.7360       47.22557 610.0930       52.94188 637.7156       104.4854 70.98506 3.082691 72.48534 5.958034 -1.500275      6.708290 
1 1 1 31  5  9  o 190.5006 3.440478 4448.847       137.0821 4496.920       158.6140 4306.960       272.4947 192.6831 3.402480 188.3181 5.980860 4.364990       6.880956 
1 1 1 31  5  10 o 120.5224 3.086307 1715.361       73.71884 1681.932       82.73552 1844.140       162.3878 117.8422 2.901944 123.2026 5.447924 -5.360466      6.172613 
1 1 1 31  5  11 o 55.13282 4.386929 378.1294       44.18269 382.2173       48.71834 359.1910       104.8611 56.13537 3.587183 54.13026 8.007040 2.005108       8.773857 
1 1 1 31  5  12 o 47.11082 4.688244 249.2579       42.37433 235.9251       46.71777 311.1243       100.6349 44.03268 4.385354 50.18896 8.287775 -6.156277      9.376489 
1 1 1 31  5  13 o 36.31904 6.037568 137.9062       42.83912 116.8174       47.20277 236.4069       102.0142 30.20598 6.640062 42.43210 10.08556 -12.22612      12.07514 
1 1 1 31  5  14 o 31.75711 5.936674 150.8936       42.81261 171.3339       46.71401 43.62880       107.0120 37.32473 5.173069 26.18949 10.68718 11.13524       11.87335 
1 1 1 31  5  15 f 52.68557 4.428194 294.9583       47.98004 255.0742       53.66350 453.8965       107.1256 45.46929 4.878188 59.90185 7.391811 -14.43256      8.856387 
1 1 1 31  5  16 o 70.39317 3.838564 493.1812       54.18727 409.7800       59.79893 876.0262       128.1206 57.59756 4.291282 83.18877 6.365782 -25.59122      7.677127 
1 1 1 31  5  17 o 29.50980 7.314457 59.95882       54.46154 20.32929       59.88510 249.4944       130.9648 18.96957 7.892555 40.05003 12.31717 -21.08047      14.62891 
1 1 1 31  5  18 o 29.82365 6.313607 140.4499       70.46651 235.5701       79.53183 -206.9007      151.9808 40.46173 8.399367 19.18557 9.428530 21.27616       12.62721 
1 1 1 31  7  0  o 402.1736 5.171152 19607.27       503.1566 19607.38       711.5068 19607.17       711.6348 402.1747 7.312435 402.1724 7.313792 0.2319336E-02  10.34230 
1 1 1 31  7  1  o 299.3276 4.019466 10850.88       291.0189 10993.82       416.8906 10715.01       406.4344 301.2471 5.720012 297.4080 5.648530 3.839142       8.038932 
1 1 1 31  7  2  o 141.4279 2.997316 2341.933       85.84620 2279.204       96.99540 2568.709       184.4220 137.2344 2.921364 145.6214 5.234620 -8.386993      5.994632 
1 1 1 31  7  3  o 277.9341 4.394919 9371.394       255.4447 9377.965       294.7744 9351.576       511.8692 278.2815 4.378274 277.5867 7.621809 0.6948242      8.789839 
1 1 1 31  7  4  o 285.3521 4.551390 9478.271       258.3448 9194.201       289.6625 10582.99       571.2213 275.5245 4.345399 295.1796 7.998632 -19.65506      9.102780 
1 1 1 31  7  5  o 153.2203 3.118286 2833.987       98.09585 2825.229       112.1157 2862.582       202.5896 152.7734 3.033307 153.6673 5.449209 -0.8939362     6.236572 
1 1 1 31  7  6  o 367.8956 5.633625 15922.15       415.2278 15522.53       467.4062 17418.20       904.3677 357.8009 5.399465 377.9903 9.889222 -20.18933      11.26725 
1 1 1 31  7  7  o 65.48283 3.629318 501.1499       46.28403 488.9044       51.56321 551.9334       105.0059 63.54187 3.354113 67.42381 6.437215 -3.881935      7.258637 
1 1 1 31  7  8  o 222.3855 4.000003 6055.958       203.8326 6175.239       252.1568 5831.053       346.2457 225.6940 4.617939 219.0769 6.532591 6.617126       8.000007 
1 1 1 31  7  9  o 135.8005 3.125881 2197.882       85.25079 2168.111       96.29713 2305.771       183.3188 133.8020 2.974736 137.7991 5.498680 -3.997055      6.251762 
1 1 1 31  7  10 o 235.6124 3.958678 6779.257       194.2566 6805.472       223.9450 6699.583       390.4186 236.8688 3.907791 234.3561 6.885761 2.512726       7.917356 
1 1 1 31  7  11 o 158.0453 3.287886 3126.090       107.2860 3213.202       123.9664 2866.151       214.1413 162.7836 3.147683 153.3069 5.773463 9.476700       6.575772 
1 1 1 31  7  12 o 60.35382 4.640966 460.1993       48.68654 466.0816       53.09838 429.1493       121.9941 61.93008 3.543866 58.77756 8.578770 3.152519       9.281933 
1 1 1 31  7  13 o 28.51808 6.218557 104.9470       40.86468 112.4169       44.65466 66.46044       101.3595 29.62132 6.416601 27.41484 10.65406 2.206478       12.43711 
1 1 1 31  7  14 o 91.46516 3.566279 1011.578       62.67068 999.9066       69.77187 1060.321       142.5822 90.59966 3.183109 92.33068 6.382883 -1.731026      7.132558 
1 1 1 31  7  15 o 77.60046 3.993207 631.9614       55.88128 580.5678       60.30026 944.5568       148.7153 68.85703 3.619667 86.34389 7.119046 -17.48685      7.986413 
1 1 1 31  7  16 o 16.89754 5.738894 -54.13768      46.84049 -47.70502      50.75050 -91.12434      121.6936 13.25255 6.223617 20.54253 9.643973 -7.289974      11.47779 
1 1 1 31  7  17 f 39.19524 7.855745 164.5224       55.06706 139.1048       58.42440 366.8055       164.8189 31.72272 7.691907 46.66777 13.69983 -14.94504      15.71149 
1 1 1 31  7  18 o 23.81273 7.419068 49.10868       62.61843 55.22551       66.32919 -1.016538      189.8756 21.75897 8.570992 25.86648 12.11232 -4.107512      14.83814 
1 1 1 31  9  0  o 235.4784 3.362404 6715.416       191.5566 6737.646       271.7791 6693.470       270.0332 235.8652 4.762663 235.0916 4.747640 0.7736664      6.724808 
1 1 1 31  9  1  o 268.8104 3.703132 8734.612       240.4534 9093.569       352.3050 8421.583       328.9953 273.9627 5.315267 263.6580 5.157586 10.30472       7.406265 
1 1 1 31  9  2  o 432.9420 5.543288 22749.31       580.4670 22405.78       809.3537 23113.19       832.9641 429.5882 7.787243 436.2957 7.891199 -6.707550      11.08658 
1 1 1 31  9  3  f 52.66866 3.163418 332.1415       39.74477 420.0427       59.50378 261.3363       53.40475 58.89240 4.176217 46.44492 4.752689 12.44748       6.326835 
1 1 1 31  9  4  o 100.8620 2.504449 1228.869       61.04206 1304.974       88.78764 1160.654       84.05931 103.8166 3.534950 97.90746 3.548688 5.909164       5.008898 
1 1 1 31  9  5  o 103.2067 2.494046 1289.868       62.25143 1243.817       87.71555 1336.599       88.36163 101.3492 3.577290 105.0642 3.476214 -3.715065      4.988093 
1 1 1 31  9  6  f 183.8142 3.639883 4118.859       150.7008 4158.174       182.8845 4035.693       265.9937 185.2673 4.080147 182.3612 6.028879 2.906067       7.279766 
1 1 1 31  9  7  o 170.1484 3.338357 3527.837       117.1804 3544.498       134.4876 3475.312       238.7862 171.0858 3.249122 169.2111 5.832814 1.874634       6.676714 
1 1 1 31  9  8  o 135.6836 3.374248 2273.419       102.7974 2346.268       125.1788 2122.546       180.1459 139.1541 3.718200 132.2132 5.631801 6.940872       6.748496 
1 1 1 31  9  9  o 125.7966 3.261790 1980.094       81.87874 2028.578       93.16647 1815.586       171.6138 129.4068 2.975775 122.1865 5.805330 7.220367       6.523580 
1 1 1 31  9  10 o 81.20380 3.643585 826.2540       55.31742 840.8234       61.49061 764.4260       126.6717 83.28750 3.051593 79.12010 6.617448 4.167397       7.287170 
1 1 1 31  9  11 o 237.0287 4.071310 6464.697       187.8837 6208.407       208.6932 7560.976       431.6210 226.0343 3.816206 248.0231 7.192970 -21.98880      8.142619 
1 1 1 31  9  12 o 139.3038 3.350075 2340.612       91.23250 2319.506       102.1829 2423.557       202.5664 138.1819 3.056501 140.4257 5.962366 -2.243744      6.700150 
1 1 1 31  9  13 o 81.58089 4.512012 907.1718       60.13093 941.8198       65.28859 713.5039       154.3571 87.98579 3.067061 75.17599 8.486821 12.80981       9.024023 
1 1 1 31  9  14 o 121.6158 3.484330 1831.449       80.94985 1836.482       90.28905 1810.827       182.7659 122.7606 3.040001 120.4711 6.270615 2.289551       6.968659 
1 1 1 31  9  15 o 43.40861 6.720309 207.6460       50.03201 189.7733       53.48903 332.6591       141.4645 38.93644 5.678141 47.88077 12.18232 -8.944332      13.44062 
1 1 1 31  9  16 o 81.74687 4.701773 852.0722       66.55411 848.7316       72.39163 870.3153       169.1712 82.98031 3.605878 80.51344 8.684718 2.466873       9.403546 
1 1 1 31  9  17 o 101.6993 4.567349 1339.582       80.14843 1331.952       87.16702 1381.321       203.8704 103.6453 3.476164 99.75333 8.447426 3.891968       9.134699 
1 1 1 31  9  18 o 47.23933 7.746794 420.0411       71.20348 436.5429       76.96011 321.9512       187.6343 57.42231 5.539656 37.05635 14.46940 20.36596       15.49359 
1 1 1 31  11 0  o 143.5299 2.647037 2490.352       91.84451 2601.360       133.1207 2389.508       126.8795 146.5772 3.753849 140.4826 3.733073 6.094589       5.294074 
1 1 1 31  11 1  o 171.2884 2.834610 3548.418       117.3838 3431.272       162.2755 3676.992       170.0057 168.3281 3.984685 174.2488 4.032659 -5.920685      5.669220 
1 1 1 31  11 2  o 282.8712 3.864716 9700.138       264.4848 9663.270       372.6785 9737.549       375.4125 282.3308 5.455992 283.4117 5.475058 -1.080841      7.729432 
1 1 1 31  11 3  o 233.9507 3.371856 6632.604       190.8513 6649.017       270.0851 6616.235       269.7243 234.2401 4.765814 233.6615 4.771234 0.5785980      6.743712 
1 1 1 31  11 4  o 287.9662 3.925366 10040.95       273.1856 10393.63       397.7408 9725.983       375.8716 292.7368 5.615916 283.1956 5.485936 9.541138       7.850732 
1 1 1 31  11 5  o 238.4278 3.423941 6885.177       197.3912 6715.223       273.4575 7070.068       285.2207 235.3628 4.802304 241.4928 4.881738 -6.130020      6.847882 
1 1 1 31  11 6  o 120.1514 2.608712 1747.230       75.78656 1707.393       104.9711 1790.604       109.5310 118.7236 3.654519 121.5791 3.723710 -2.855492      5.217425 
1 1 1 31  11 7  o 190.1531 2.996572 4380.904       137.7859 4310.104       191.2278 4457.350       198.7047 188.5606 4.191772 191.7456 4.283318 -3.184952      5.993143 
1 1 1 31  11 8  o 116.2858 3.232302 1526.164       71.86295 1459.664       79.25879 1833.432       170.3709 109.7721 2.984374 122.7995 5.734511 -13.02744      6.464604 
1 1 1 31  11 9  o 89.12816 3.715777 1009.152       60.84705 1033.814       67.43628 901.1303       141.1337 92.35793 3.017985 85.89838 6.791153 6.459557       7.431554 
1 1 1 31  11 10 o 81.86856 3.928533 861.7770       57.81087 885.4421       63.77798 752.7662       136.8836 85.43784 3.085447 78.29928 7.225890 7.138565       7.857065 
1 1 1 31  11 11 f 64.42320 4.800480 526.7610       53.21138 533.6311       57.92034 489.5895       134.7269 66.23991 3.614174 62.60649 8.894728 3.633419       9.600960 
1 1 1 31  11 12 f 39.08100 6.683856 164.2336       44.85200 153.2489       47.70398 247.9476       131.6923 35.28685 5.587781 42.87516 12.14382 -7.588306      13.36771 
1 1 1 31  11 13 o 61.36127 5.686090 528.2072       52.01963 545.1154       55.95689 420.5830       141.1755 66.83961 3.460329 55.88293 10.83294 10.95668       11.37218 
1 1 1 31  11 14 o 43.46044 6.944794 250.9485       51.89655 250.5435       55.63950 253.6586       143.9252 44.94803 5.116467 41.97285 12.91288 2.975182       13.88959 
1 1 1 31  11 15 o 47.51954 6.972555 340.6193       56.86407 353.8076       61.64288 265.3183       147.2953 53.30666 4.779684 41.73241 13.10041 11.57425       13.94511 
1 1 1 31  11 16 o 61.13505 6.970496 672.9532       65.42230 744.7282       72.01389 333.8489       156.5295 77.46638 3.842384 44.80372 13.40102 32.66266       13.94099 
1 1 1 31  11 17 o 25.64432 7.936567 44.47120       60.41405 30.13916       63.80048 168.8281       187.9338 19.55227 8.141702 31.73637 13.62605 -12.18410      15.87313 
1 1 1 31  13 0  o 205.1051 3.137775 5047.955       154.7969 4663.033       205.7759 5549.734       234.9442 196.1915 4.335227 214.0187 4.537436 -17.82719      6.275549 
1 1 1 31  13 1  o 139.8043 2.687305 2365.866       90.84769 2260.426       127.0252 2476.272       129.9819 136.6154 3.843154 142.9932 3.757207 -6.377731      5.374610 
1 1 1 31  13 2  o 206.5392 3.155637 5168.116       157.6659 5112.593       220.8594 5225.816       225.1489 205.4097 4.444191 207.6688 4.481220 -2.259094      6.311274 
1 1 1 31  13 3  f 199.2620 3.099560 4809.846       149.3855 4747.608       208.3668 4875.669       214.2836 197.9386 4.351065 200.5853 4.415576 -2.646683      6.199119 
1 1 1 31  13 4  o 373.2524 4.879335 16931.43       440.6192 16918.10       622.0646 16944.86       624.2003 373.1072 6.891274 373.3976 6.909557 -0.2903748     9.758670 
1 1 1 31  13 5  o 102.9926 2.737036 1284.882       68.17730 1271.362       94.98093 1299.253       97.92079 102.4356 3.832511 103.5497 3.908622 -1.114174      5.474072 
1 1 1 31  13 6  o 338.3390 4.499578 13870.52       367.3104 13289.71       497.6987 14565.28       544.3398 330.6268 6.221946 346.0512 6.501707 -15.42444      8.999156 
1 1 1 31  13 7  o 148.2883 2.761827 2666.323       99.06563 2740.702       141.0230 2593.860       139.1948 150.3323 3.877351 146.2442 3.934069 4.088104       5.523654 
1 1 1 31  13 8  o 130.1215 2.675314 2054.769       84.16136 2062.298       116.9406 2046.679       121.2190 130.3768 3.707342 129.8663 3.858086 0.5104675      5.350627 
1 1 1 31  13 9  o 106.8570 2.724550 1390.638       70.16752 1531.162       99.27556 1250.361       99.18822 112.2876 3.654333 101.4264 4.042096 10.86119       5.449100 
1 1 1 31  13 10 o 113.0349 3.645632 1576.835       75.57827 1584.855       83.31339 1539.560       179.6088 114.2510 3.014064 111.8187 6.639122 2.432274       7.291264 
1 1 1 31  13 11 o 52.47577 6.514673 432.7888       53.28072 465.0418       57.82678 251.5170       137.0912 61.75293 3.870518 43.19860 12.44118 18.55433       13.02935 
1 1 1 31  13 12 o 25.46432 7.179276 40.36061       44.23434 33.27475       46.74598 101.0351       136.7889 19.11349 7.284911 31.81515 12.37328 -12.70166      14.35855 
1 1 1 31  13 13 f 21.50178 6.746418 6.369576       44.42311 6.009517       46.86033 9.563355       139.5632 16.35005 6.903545 26.65350 11.59300 -10.30345      13.49284 
1 1 1 31  13 14 o 53.98679 6.366048 345.7084       53.88342 330.5444       57.37952 458.8936       156.7635 51.63068 4.593532 56.34290 11.87458 -4.712215      12.73210 
1 1 1 31  13 15 o 48.02538 7.159333 288.2991       58.58146 271.9969       62.88823 395.2409       161.0719 46.27675 5.616997 49.77402 13.17094 -3.497272      14.31867 
1 1 1 31  13 16 o 82.63551 5.313357 833.7383       71.90238 799.8543       76.85999 1071.267       203.4984 79.92423 3.974838 85.34678 9.855340 -5.422546      10.62671 
1 1 1 31  13 17 o 33.80932 6.055673 241.8912       66.39447 296.9849       70.07848 -241.1660      207.5071 46.71504 6.200484 20.90360 10.40378 25.81144       12.11135 
1 1 1 31  15 0  o 292.8908 4.007412 10408.81       283.9692 10433.73       401.6296 10383.91       401.5566 293.2423 5.661048 292.5394 5.673619 0.7029114      8.014825 
1 1 1 31  15 1  o 234.9947 3.427783 6687.453       194.7371 6495.614       269.1050 6898.354       282.1580 231.4655 4.805440 238.5238 4.889431 -7.058304      6.855567 
1 1 1 31  15 2  o 210.6806 3.219242 5379.806       164.0655 5325.646       229.6717 5436.243       234.4493 209.6003 4.529114 211.7609 4.576157 -2.160522      6.438485 
1 1 1 31  15 3  o 93.04475 2.860020 1049.243       64.37852 1056.142       90.78749 1042.266       91.30466 93.35345 4.019697 92.73605 4.069509 0.6173935      5.720041 
1 1 1 31  15 4  o 25.35787 5.741037 65.21622       44.26194 126.2887       63.83707 8.673030       61.42429 31.59739 8.258512 19.11835 7.977156 12.47904       11.48207 
1 1 1 31  15 5  o 176.1805 4.168606 3764.873       177.6851 0.000000       0.000000 3764.873       177.6851 ?        ?        176.1805 4.168606 ?              ?        
1 1 1 31  15 6  o 229.8314 3.389746 6416.817       188.4391 6364.559       263.1402 6471.827       269.9775 228.8799 4.752009 230.7830 4.835278 -1.903091      6.779491 
1 1 1 31  15 7  o 37.01302 5.171584 173.6922       44.62236 177.0434       61.75146 170.0301       64.55282 37.43553 7.077360 36.59051 7.542686 0.8450203      10.34317 
1 1 1 31  15 8  o 88.45633 2.871228 951.6964       61.43356 960.3795       86.23881 942.7500       87.53607 88.87173 4.010854 88.04093 4.109606 0.8307953      5.742456 
1 1 1 31  15 9  o 64.08859 3.462664 501.1133       53.47992 442.5928       74.00201 565.0896       77.37473 60.15313 5.084907 68.02406 4.701478 -7.870926      6.925328 
1 1 1 31  15 10 o 77.33749 3.057612 732.6727       57.07543 765.7191       79.30235 697.1589       82.20985 79.18403 4.139483 75.49095 4.501182 3.693077       6.115224 
1 1 1 31  15 11 o 90.26451 2.951905 1001.857       64.16779 1062.427       88.49517 934.7040       93.17986 93.21688 3.923943 87.31213 4.411082 5.904747       5.903810 
1 1 1 31  15 12 o 23.36359 7.094212 17.65397       48.04720 12.85885       51.01273 55.33611       143.0034 17.56991 7.295179 29.15727 12.16929 -11.58736      14.18842 
1 1 1 31  15 13 o 51.77057 6.742163 470.7271       58.36069 524.3549       64.15025 213.2064       140.5753 65.21712 4.065691 38.32401 12.85680 26.89312       13.48433 
1 1 1 31  15 14 o 22.45118 7.038488 8.076849       56.18304 2.868707       61.01090 37.13266       144.1062 17.82777 7.709475 27.07458 11.77817 -9.246805      14.07698 
1 1 1 31  15 15 o 42.44236 7.648069 293.6929       61.39138 300.9055       65.23456 237.8346       181.5426 48.33969 5.577911 36.54502 14.24285 11.79466       15.29614 
1 1 1 31  15 16 f 25.41410 7.526532 84.05453       62.95373 90.96645       66.54423 25.13980       194.2777 24.83297 8.820815 25.99523 12.19787 -1.162258      15.05306 
1 1 1 31  17 0  o 73.77714 3.248523 662.1163       57.74980 634.6000       84.50155 686.2311       79.10625 72.32449 4.829220 75.22978 4.346290 -2.905289      6.497046 
1 1 1 31  17 1  o 133.7864 4.062500 2169.953       131.4945 0.000000       0.000000 2169.953       131.4945 ?        ?        133.7864 4.062500 ?              ?        
1 1 1 31  17 2  o 104.8671 2.865834 1333.744       72.65737 1269.049       102.2864 1399.633       103.2261 102.2948 4.132971 107.4394 3.971218 -5.144592      5.731668 
1 1 1 31  17 3  f 195.8513 3.120023 4645.581       147.6229 4477.705       202.2236 4837.104       215.9970 192.0806 4.351570 199.6221 4.472361 -7.541534      6.240046 
1 1 1 31  17 4  o 272.2253 3.816679 8994.303       250.9897 9431.377       367.5685 8612.476       343.5533 278.3882 5.457393 266.0625 5.337134 12.32562       7.633357 
1 1 1 31  17 5  o 25.56131 6.041556 74.30338       44.63820 97.00268       63.58099 52.23971       62.68446 28.02814 8.575910 23.09448 8.512072 4.933655       12.08311 
1 1 1 31  17 6  o 136.9039 2.770954 2277.624       91.73402 2274.386       127.6882 2281.078       131.8762 136.8131 3.857631 136.9948 3.978873 -0.1816864     5.541908 
1 1 1 31  17 7  o 93.21371 2.941229 1057.126       66.24728 985.2059       92.29720 1133.549       95.14320 89.93421 4.241909 96.49322 4.075479 -6.559006      5.882459 
1 1 1 31  17 8  o 102.0947 2.867454 1268.410       70.73109 1223.121       96.98850 1319.859       103.3743 100.1627 4.002323 104.0268 4.107382 -3.864166      5.734909 
1 1 1 31  17 9  o 158.7079 2.907833 3077.888       111.6257 3171.325       158.6323 2986.242       157.1040 161.1101 4.069739 156.3056 4.154419 4.804504       5.815666 
1 1 1 31  17 10 o 113.4740 2.875014 1580.030       78.52376 1778.274       111.8041 1387.049       110.3097 120.5899 3.832165 106.3580 4.286880 14.23190       5.750029 
1 1 1 31  17 11 o 35.11616 6.181339 164.5401       52.21098 150.3767       70.71261 181.5165       77.41697 33.48482 8.662883 36.74750 8.819880 -3.262676      12.36268 
1 1 1 31  17 12 o 43.73996 5.259507 252.0036       53.80425 277.8427       73.98910 223.0051       78.38220 46.75303 6.541173 40.72689 8.237884 6.026138       10.51901 
1 1 1 31  17 13 o 23.81819 7.387008 11.98422       62.06233 -0.1989538     67.98395 72.92088       152.0427 18.48786 8.065352 29.14852 12.37827 -10.66066      14.77402 
1 1 1 31  17 14 o 55.29728 7.182796 426.4693       64.45996 417.0035       69.41323 485.7823       173.7559 57.25472 5.011049 53.33984 13.46327 3.914879       14.36559 
1 1 1 31  17 15 o 34.37438 7.576210 217.6973       67.24032 231.8542       71.12552 98.63177       206.2690 40.18135 7.594697 28.56740 13.11169 11.61395       15.15242 
1 1 1 31  19 0  o 177.4649 4.238703 3823.820       181.9901 3823.820       181.9901 0.000000       0.000000 177.4649 4.238703 ?        ?        ?              ?        
1 1 1 31  19 1  f 58.59965 3.813479 418.1122       54.05138 415.6328       77.18921 420.4975       75.71255 58.42445 5.460843 58.77485 5.324442 -0.3503914     7.626958 
1 1 1 31  19 2  o 54.26954 3.949132 358.6005       51.82103 375.6210       74.54981 342.6872       72.08435 55.51681 5.550343 53.02227 5.619276 2.494541       7.898263 
1 1 1 31  19 3  o 137.7546 3.899609 2305.350       129.9659 2305.350       129.9659 0.000000       0.000000 137.7546 3.899609 ?        ?        ?              ?        
1 1 1 31  19 4  o 88.06363 3.007947 945.0939       63.81595 1056.051       91.01597 837.7981       89.50184 93.18109 4.037267 82.94616 4.459985 10.23493       6.015894 
1 1 1 31  19 5  o 92.51270 2.950146 1041.399       65.95888 1112.324       94.88650 975.0825       91.75232 95.56769 4.103846 89.45772 4.239327 6.109970       5.900292 
1 1 1 31  19 6  o 78.91757 3.093936 761.4684       58.98539 730.5026       84.53328 790.8522       82.34561 77.32758 4.518466 80.50757 4.227674 -3.179985      6.187871 
1 1 1 31  19 7  o 99.91727 3.530575 1231.464       81.60802 1202.855       136.2056 1247.486       101.9292 98.79192 5.698639 101.0426 4.169575 -2.250687      7.061151 
1 1 1 31  19 8  o 135.9392 2.894630 2259.281       95.14532 2369.450       136.5931 2155.448       132.6071 139.1695 4.056788 132.7090 4.130133 6.460480       5.789259 
1 1 1 31  19 9  o 40.62787 5.494526 214.7332       52.63416 182.8301       75.21303 245.3511       73.68246 37.08631 8.556693 44.16943 6.895091 -7.083118      10.98905 
1 1 1 31  19 10 o 53.13913 4.392651 355.8228       56.31825 366.4562       77.63618 344.0123       81.82053 54.06725 5.935093 52.21101 6.477359 1.856243       8.785301 
1 1 1 31  19 11 o 47.17424 4.987590 285.7487       56.68816 252.5417       78.41074 322.1110       82.05146 44.19423 7.333439 50.15425 6.762017 -5.960022      9.975180 
1 1 1 31  19 12 o 46.77521 4.991869 285.5137       56.42882 270.9499       77.71213 301.7570       82.07096 45.51761 7.056787 48.03280 7.062350 -2.515194      9.983739 
1 1 1 31  19 13 o 56.98157 4.385488 424.3869       60.38550 402.8253       83.02839 448.5984       87.98280 55.45858 6.188075 58.50455 6.215926 -3.045967      8.770975 
1 1 1 31  19 14 o 21.85397 6.410895 43.06705       57.07303 4.089462       78.02836 87.91295       83.69630 18.86309 8.414846 24.84486 9.674123 -5.981766      12.82179 
1 1 1 31  21 0  o 81.25742 4.588893 804.8176       90.21386 804.8176       90.21386 0.000000       0.000000 81.25742 4.588893 ?        ?        ?              ?        
1 1 1 31  21 1  o 82.37264 3.186558 823.8568       63.14473 708.3817       86.52874 955.4091       92.35609 76.19611 4.693807 88.54917 4.311007 -12.35306      6.373116 
1 1 1 31  21 2  o 38.28572 5.518994 196.1272       50.80180 92.56273       73.22368 292.2411       70.54063 27.79525 9.279284 48.77619 5.977632 -20.98094      11.03799 
1 1 1 31  21 3  o 154.2120 2.903725 2899.735       108.3122 2877.992       151.3405 2922.566       155.0810 153.6300 4.071711 154.7940 4.140971 -1.164001      5.807450 
1 1 1 31  21 4  o 38.55379 5.582933 190.7257       50.14119 208.8658       75.06019 176.1077       67.38052 40.20747 7.997615 36.90012 7.791965 3.307358       11.16587 
1 1 1 31  21 5  o 166.5758 2.978621 3393.496       120.0317 3401.709       168.8234 3385.101       170.6929 166.7919 4.183650 166.3597 4.240968 0.4322205      5.957242 
1 1 1 31  21 6  o 75.04349 3.397535 692.7878       61.41665 687.8085       90.99716 696.9537       83.23366 74.73710 5.032564 75.34988 4.565772 -0.6127777     6.795069 
1 1 1 31  21 7  o 176.4458 3.095575 3822.919       132.0721 3739.238       183.0890 3913.703       190.6999 174.4594 4.337759 178.4321 4.417485 -3.972717      6.191149 
1 1 1 31  21 8  o 39.09145 6.088143 205.7723       56.23255 241.8950       79.65334 169.8817       79.39695 42.81064 7.984124 35.37226 9.193242 7.438377       12.17629 
1 1 1 31  21 9  o 34.78536 6.158933 167.1603       52.58926 204.1661       72.79839 126.7714       76.05324 39.03617 7.977589 30.53454 9.385516 8.501633       12.31787 
1 1 1 31  21 10 o 38.51432 6.105688 205.0979       58.06395 128.0434       81.59062 284.1650       82.64927 30.34642 9.775805 46.68222 7.317878 -16.33580      12.21138 
1 1 1 31  21 11 o 113.0777 3.149760 1600.065       85.86293 1566.440       116.1311 1640.611       127.5240 111.9151 4.289015 114.2402 4.613925 -2.325119      6.299520 
1 1 1 31  21 12 o 20.39888 6.315650 13.43210       59.39311 2.453883       81.67953 25.74954       86.51825 19.51788 8.664043 21.27988 9.191522 -1.762005      12.63130 
1 1 1 31  21 13 o 39.19312 6.765273 250.1545       63.90935 275.0602       87.47113 221.6346       93.60309 42.18850 8.852092 36.19774 10.23309 5.990757       13.53055 
1 1 1 31  23 0  o 76.11121 3.376318 710.5490       62.12269 716.8300       86.38492 703.8217       89.40224 76.48223 4.668476 75.74020 4.878875 0.7420349      6.752635 
1 1 1 31  23 1  o 130.5584 2.886312 2080.891       91.11084 2167.031       131.6626 2001.736       126.2106 133.1460 4.087259 127.9708 4.076456 5.175201       5.772623 
1 1 1 31  23 2  o 100.8793 3.020551 1246.149       73.72029 1240.202       104.2485 1252.098       104.2640 100.6357 4.281690 101.1229 4.261696 -0.4872131     6.041102 
1 1 1 31  23 3  o 114.5672 4.291817 1609.189       118.9607 1609.189       118.9607 0.000000       0.000000 114.5672 4.291817 ?        ?        ?              ?        
1 1 1 31  23 4  o 84.26543 3.329511 873.1583       67.77408 896.3328       99.11205 852.8046       92.88477 85.28375 4.803501 83.24710 4.611828 2.036652       6.659022 
1 1 1 31  23 5  o 23.04683 6.357039 45.95208       50.60752 63.74468       78.92673 33.52973       65.94872 24.92010 9.473630 21.17356 8.479278 3.746550       12.71408 
1 1 1 31  23 6  o 51.29165 4.568093 336.3278       55.83049 300.0314       83.37263 365.8372       75.17469 48.52582 7.101471 54.05748 5.747957 -5.531666      9.136187 
1 1 1 31  23 7  o 48.96482 4.897810 307.7899       57.86713 291.4420       83.21423 323.0982       80.52496 47.58156 7.228640 50.34808 6.610667 -2.766521      9.795619 
1 1 1 31  23 8  o 72.54212 6.014308 723.1983       97.96535 635.0981       165.7543 770.4938       121.4469 67.59856 10.13503 77.48569 6.478324 -9.887131      12.02862 
1 1 1 31  23 9  o 70.95355 4.136030 652.7729       70.07227 733.6978       96.49317 562.4824       101.9240 76.05503 5.244044 65.85207 6.397419 10.20296       8.272059 
1 1 1 31  23 10 o 33.69978 7.789689 185.7791       85.48281 39.36943       140.4223 271.9810       107.7481 25.67282 11.37990 41.72675 10.64025 -16.05393      15.57938 
1 1 1 31  23 11 o 24.11966 7.679222 36.18446       88.52005 58.25104       157.7569 26.04402       106.9423 25.98060 11.74554 22.25872 9.895660 3.721882       15.35844 
1 1 1 31  25 0  o 80.54256 3.465790 801.4788       67.49692 765.0535       94.13625 840.0194       96.83089 78.64415 4.947527 82.44098 4.854767 -3.796829      6.931580 
1 1 1 31  25 1  f 79.34331 3.458688 779.8256       66.33125 746.3542       94.19746 812.7471       93.42046 77.60635 5.016948 81.08025 4.762386 -3.473900      6.917376 
1 1 1 31  25 2  o 70.38383 3.825184 620.7574       64.75626 570.2298       93.99353 666.4077       89.34183 67.50603 5.755103 73.26162 5.040527 -5.755585      7.650367 
1 1 1 31  25 3  o 83.98409 3.470557 875.9319       70.46587 890.0917       101.9352 862.9724       97.51900 84.60078 4.980207 83.36741 4.834935 1.233368       6.941114 
1 1 1 31  25 4  o 66.67235 4.067018 542.6616       64.45574 707.0489       100.9734 429.6101       83.73577 75.01779 5.563403 58.32690 5.933894 16.69089       8.134036 
1 1 1 31  25 5  o 68.30167 5.154401 585.1758       79.98692 670.0773       143.0789 546.5794       96.46971 71.06106 8.322266 65.54227 6.083691 5.518784       10.30880 
1 1 1 31  25 6  o 31.21142 7.464058 33.40051       74.97392 322.7841       142.2013 -78.01309      88.23393 45.30143 12.54506 17.12141 8.091365 28.18002       14.92812 
1 1 1 32  0  0  o 231.2627 3.304053 6479.267       261.1979 6479.267       261.1979 6479.267       261.1979 231.2627 4.672637 231.2627 4.672637 0.000000       0.000000 
1 1 1 32  0  1  o 630.1973 7.851220 48170.97       1691.714 48170.97       1691.714 48170.97       1691.714 630.1973 11.10330 630.1973 11.10330 0.000000       0.000000 
1 1 1 32  0  2  o 316.2287 4.203683 12117.22       454.4668 12117.22       454.4668 12117.22       454.4668 316.2287 5.944905 316.2287 5.944905 0.000000       0.000000 
1 1 1 32  0  3  o 101.1188 2.406209 1241.412       83.03602 1241.412       83.03602 1241.412       83.03602 101.1188 3.402893 101.1188 3.402893 0.000000       0.000000 
1 1 1 32  0  4  o 378.4000 4.900908 17359.99       634.0394 17359.99       634.0394 17359.99       634.0394 378.4000 6.930931 378.4000 6.930931 0.000000       0.000000 
1 1 1 32  0  5  o 391.4837 5.049694 18586.67       675.8807 18586.67       675.8807 18586.67       675.8807 391.4837 7.141346 391.4837 7.141346 0.000000       0.000000 
1 1 1 32  0  6  o 65.25262 2.602352 520.2137       57.67801 520.2137       57.67801 520.2137       57.67801 65.25262 3.680281 65.25262 3.680281 0.000000       0.000000 
1 1 1 32  0  7  o 25.45702 6.054306 101.2262       47.11200 101.2262       47.11200 101.2262       47.11200 25.45702 8.562081 25.45702 8.562081 0.000000       0.000000 
1 1 1 32  0  8  o 233.0548 3.332760 6584.951       265.5085 6584.951       265.5085 6584.951       265.5085 233.0548 4.713234 233.0548 4.713234 0.000000       0.000000 
1 1 1 32  0  9  o 196.9895 3.012807 4705.218       202.8490 4705.218       202.8490 4705.218       202.8490 196.9895 4.260753 196.9895 4.260753 0.000000       0.000000 
1 1 1 32  0  10 o 196.8540 4.285096 4712.671       287.9979 4712.671       287.9979 4712.671       287.9979 196.8540 6.060040 196.8540 6.060040 0.000000       0.000000 
1 1 1 32  0  11 f 170.6918 2.788777 3535.490       162.6746 3535.490       162.6746 3535.490       162.6746 170.6918 3.943926 170.6918 3.943926 0.000000       0.000000 
1 1 1 32  0  12 o 87.72655 2.625030 937.7708       78.47123 937.7708       78.47123 937.7708       78.47123 87.72655 3.712353 87.72655 3.712353 0.000000       0.000000 
1 1 1 32  0  13 o 52.05643 3.622091 339.0009       63.07991 339.0009       63.07991 339.0009       63.07991 52.05643 5.122410 52.05643 5.122410 0.000000       0.000000 
1 1 1 32  0  14 o 35.38686 5.887687 176.7512       61.92707 176.7512       61.92707 176.7512       61.92707 35.38686 8.326447 35.38686 8.326447 0.000000       0.000000 
1 1 1 32  0  15 o 130.7818 2.672720 2086.032       119.3704 2086.032       119.3704 2086.032       119.3704 130.7818 3.779797 130.7818 3.779797 0.000000       0.000000 
1 1 1 32  0  16 o 13.74176 6.134617 13.24369       61.42649 13.24369       61.42649 13.24369       61.42649 13.74176 8.675658 13.74176 8.675658 0.000000       0.000000 
1 1 1 32  0  17 o 16.32625 6.987977 38.04776       71.95947 38.04776       71.95947 38.04776       71.95947 16.32625 9.882491 16.32625 9.882491 0.000000       0.000000 
1 1 1 32  0  18 o 16.23341 7.204384 31.55626       83.32914 31.55626       83.32914 31.55626       83.32914 16.23341 10.18854 16.23341 10.18854 0.000000       0.000000 
1 1 1 32  2  0  o 572.5502 8.198812 40388.49       1008.232 41120.78       1185.740 38477.10       1915.691 582.5170 8.413539 562.5834 14.07460 19.93359       16.39762 
1 1 1 32  2  1  o 240.5505 3.897212 7177.563       201.7222 7394.469       238.2399 6628.198       379.1479 247.1803 3.983808 233.9208 6.699426 13.25948       7.794424 
1 1 1 32  2  2  o 635.3548 9.143950 49333.63       1224.387 49545.14       1420.100 48721.00       2416.891 638.9836 9.186009 631.7260 15.81343 7.257568       18.28790 
1 1 1 32  2  3  o 416.5254 6.237158 20578.72       526.7535 20190.50       596.6183 21951.22       1121.794 408.2068 6.041073 424.8439 10.91394 -16.63715      12.47432 
1 1 1 32  2  4  o 152.8533 3.024120 2853.716       97.10970 2879.255       112.5462 2779.298       192.1167 154.2407 3.015988 151.4659 5.242615 2.774872       6.048239 
1 1 1 32  2  5  o 299.0529 4.606356 11024.65       294.7119 11236.29       345.8944 10464.01       562.9692 304.5644 4.694205 293.5414 7.927075 11.02295       9.212712 
1 1 1 32  2  6  o 324.2635 4.930865 12940.50       341.2606 13146.73       399.6651 12385.49       655.6497 329.3693 5.015461 319.1577 8.491106 10.21161       9.861731 
1 1 1 32  2  7  o 270.4972 4.292353 8874.618       243.3036 8871.885       280.9918 8882.808       486.3531 270.6139 4.291816 270.3804 7.434882 0.2334900      8.584705 
1 1 1 32  2  8  o 144.6007 2.995880 2455.448       88.26380 2391.912       100.0057 2679.358       187.7361 140.5608 2.940752 148.6405 5.220456 -8.079681      5.991759 
1 1 1 32  2  9  o 201.8259 3.518200 5012.803       150.1273 5091.979       174.9016 4791.196       292.6112 205.0305 3.525925 198.6214 6.089235 6.409119       7.036400 
1 1 1 32  2  10 o 24.26065 5.968071 51.78515       36.49563 40.07042       40.95573 96.95420       80.42088 19.51939 6.921500 29.00191 9.724421 -9.482517      11.93614 
1 1 1 32  2  11 o 69.84435 3.299911 548.0705       46.48636 515.4393       52.09734 675.5503       102.9720 65.20412 3.302464 74.48457 5.714138 -9.280441      6.599821 
1 1 1 32  2  12 o 150.0641 3.102052 2694.534       96.32742 2653.685       110.1940 2826.889       198.3536 147.9059 3.079430 152.2224 5.385911 -4.316513      6.204105 
1 1 1 32  2  13 o 32.93525 6.028797 137.6758       41.96518 138.0823       47.09624 136.1095       92.45428 33.01004 6.122528 32.86046 10.38750 0.1495819      12.05759 
1 1 1 32  2  14 o 72.01399 4.070519 667.3632       62.57891 703.0853       74.17876 579.1791       116.5482 75.86140 4.041629 68.16658 7.066947 7.694817       8.141038 
1 1 1 32  2  15 o 109.5365 2.645627 1466.513       70.06849 1426.020       97.03127 1510.638       101.2895 107.9669 3.714657 111.1061 3.768114 -3.139198      5.291254 
1 1 1 32  2  16 o 21.93705 5.957129 46.21306       44.92404 62.03033       62.57827 29.39318       64.53111 23.34958 8.520107 20.52453 8.328104 2.825045       11.91426 
1 1 1 32  2  17 o 34.93849 6.003164 168.9550       55.20110 83.57082       78.34536 253.1327       77.78988 25.91529 9.521525 43.96170 7.313855 -18.04641      12.00633 
1 1 1 32  2  18 o 23.68887 5.813357 6.181314       57.53505 -161.2976      81.34741 173.8204       81.38631 13.45859 6.666696 33.91916 9.525525 -20.46056      11.62671 
1 1 1 32  4  0  o 169.5971 3.179251 3444.615       111.3730 3411.225       127.4270 3552.647       229.2096 167.9015 3.136929 171.2928 5.530844 -3.391373      6.358503 
1 1 1 32  4  1  o 100.9213 2.877465 1241.167       59.38572 1248.558       67.90520 1217.133       122.4559 101.5804 2.763065 100.2623 5.048236 1.318047       5.754930 
1 1 1 32  4  2  o 245.9699 4.015983 7214.390       202.8615 7115.111       231.2822 7545.509       422.3845 242.4448 3.943002 249.4950 6.997514 -7.050201      8.031966 
1 1 1 32  4  3  o 199.3442 3.455464 4926.339       147.3985 5064.188       173.4158 4567.520       279.7849 204.5443 3.504281 194.1442 5.956588 10.40004       6.910928 
1 1 1 32  4  4  o 260.3154 4.157743 8279.034       228.7039 8349.446       265.8445 8078.525       448.6139 262.5886 4.184558 258.0422 7.185875 4.546326       8.315487 
1 1 1 32  4  5  o 234.0085 3.859546 6655.394       189.1473 6673.666       218.5359 6600.833       377.6346 234.7657 3.847564 233.2514 6.691833 1.514297       7.719092 
1 1 1 32  4  6  o 26.12870 5.087553 94.02211       32.86656 111.9675       36.82340 23.72397       72.88177 30.39517 5.007454 21.86222 8.857662 8.532949       10.17511 
1 1 1 32  4  7  o 164.7825 3.153205 3284.308       108.0973 3278.716       124.3471 3301.606       218.7086 164.5655 3.123163 164.9994 5.478745 -0.4339294     6.306409 
1 1 1 32  4  8  o 33.97773 5.170328 194.3685       38.90621 240.0340       43.91080 27.59072       83.91626 44.50969 4.077693 23.44577 9.502714 21.06391       10.34066 
1 1 1 32  4  9  o 253.2107 4.092284 7872.402       219.3400 7967.738       255.4653 7604.998       427.8446 256.3971 4.118285 250.0242 7.072968 6.372910       8.184567 
1 1 1 32  4  10 o 271.1006 4.340882 8938.977       245.5903 8936.319       283.1060 8947.056       493.6856 271.4117 4.311399 270.7895 7.535574 0.6221924      8.681765 
1 1 1 32  4  11 o 103.9690 3.134649 1343.680       65.20020 1368.577       74.14588 1258.775       136.9247 106.2694 2.883875 101.6687 5.566628 4.600716       6.269297 
1 1 1 32  4  12 o 179.1736 3.386286 3824.451       123.6029 3751.847       140.3023 4076.145       261.2277 175.8044 3.298624 182.5428 5.914964 -6.738464      6.772571 
1 1 1 32  4  13 o 97.34561 3.351612 1205.937       64.73183 1244.776       73.69168 1074.717       135.4506 101.2238 3.009080 93.46747 5.989880 7.756287       6.703225 
1 1 1 32  4  14 o 78.23206 3.697371 740.2228       55.71634 731.7324       62.08200 775.3718       126.3155 77.50300 3.310891 78.96111 6.612127 -1.458107      7.394743 
1 1 1 32  4  15 o 53.59222 4.685483 315.3052       48.98624 287.5834       54.03101 443.3076       116.1024 48.31414 4.622389 58.87031 8.151595 -10.55617      9.370965 
1 1 1 32  4  16 o 43.68590 5.839694 244.4520       50.84890 236.9179       57.69365 270.6722       107.6294 43.48913 5.483337 43.88268 10.31218 -0.3935471     11.67939 
1 1 1 32  4  17 o 67.78540 3.632666 579.7618       59.56540 583.7767       85.11488 575.9082       83.38806 67.99530 5.173975 67.57551 5.100494 0.4197922      7.265333 
1 1 1 32  4  18 o 25.71474 6.678480 84.12922       58.18000 28.25719       81.69000 141.6420       82.88081 21.05782 9.010809 30.37167 9.859701 -9.313843      13.35696 
1 1 1 32  6  0  o 587.9553 8.483485 42290.15       1054.094 42546.37       1224.853 41558.60       2069.681 592.2139 8.548761 583.6967 14.65595 8.517212       16.96697 
1 1 1 32  6  1  o 648.2001 9.290878 51822.13       1285.601 52535.70       1505.315 49898.87       2471.331 657.7181 9.459874 638.6821 15.99351 19.03595       18.58176 
1 1 1 32  6  2  o 413.7374 6.137810 20807.65       532.3217 20831.12       615.1340 20737.66       1062.254 414.5875 6.132693 412.8873 10.63395 1.700195       12.27562 
1 1 1 32  6  3  o 55.11721 3.874482 393.2798       40.39068 410.3279       45.36913 328.1380       88.68555 58.22417 3.220734 52.01026 7.047929 6.213909       7.748963 
1 1 1 32  6  4  o 257.6012 4.173535 7904.451       219.8635 7785.273       250.1373 8309.340       461.0506 253.5547 4.077599 261.6476 7.283320 -8.092957      8.347070 
1 1 1 32  6  5  o 213.3402 3.645727 5527.284       162.4124 5538.169       187.3386 5494.349       325.8655 213.8667 3.620611 212.8138 6.329018 1.052887       7.291454 
1 1 1 32  6  6  o 291.5948 4.563218 10382.11       280.1552 10447.40       324.8817 10192.74       553.2866 293.6339 4.573164 289.5557 7.897974 4.078217       9.126435 
1 1 1 32  6  7  o 51.04028 4.784183 354.6941       42.29094 374.3824       47.04929 271.8620       96.50471 55.60149 3.497553 46.47906 8.906219 9.122433       9.568365 
1 1 1 32  6  8  o 68.47813 3.495587 550.5865       47.76884 537.3160       53.69452 600.9518       104.6046 66.60896 3.331923 70.34731 6.146122 -3.738350      6.991175 
1 1 1 32  6  9  o 220.9109 3.771551 5910.548       172.6352 5897.230       198.2027 5952.409       351.4012 220.6013 3.713634 221.2205 6.565617 -0.6192017     7.543103 
1 1 1 32  6  10 o 118.9605 3.127630 1745.456       74.09098 1767.123       83.96537 1669.244       157.4724 120.7749 2.873566 117.1461 5.556158 3.628822       6.255259 
1 1 1 32  6  11 o 149.7020 3.407821 2689.849       112.8895 2637.336       134.1340 2817.371       209.0256 147.3974 3.761375 152.0065 5.683751 -4.609055      6.815641 
1 1 1 32  6  12 o 126.7441 3.242413 1995.142       81.97687 2024.616       93.04774 1892.921       173.2833 129.1584 2.977700 124.3298 5.760753 4.828651       6.484826 
1 1 1 32  6  13 o 66.44166 3.711486 488.9311       48.82024 454.0912       54.23170 637.8347       112.1160 61.05208 3.671559 71.83124 6.451371 -10.77916      7.422973 
1 1 1 32  6  14 o 28.35648 6.473369 36.23199       43.58922 1.510687       47.46201 223.3195       110.1718 16.13965 6.886320 40.57330 10.96342 -24.43364      12.94674 
1 1 1 32  6  15 o 81.02422 3.947841 755.3765       59.22236 723.0930       64.79104 919.3337       146.0125 76.87383 3.483646 85.17459 7.085619 -8.300758      7.895682 
1 1 1 32  6  16 o 36.37581 6.276701 210.9083       50.12910 236.7766       55.61204 98.78644       115.7791 43.46597 5.288313 29.28565 11.38515 14.18032       12.55340 
1 1 1 32  6  17 o 55.78416 7.035833 435.1883       61.13962 431.4914       65.52207 460.0833       170.0313 58.60916 4.620829 52.95916 13.29134 5.649998       14.07167 
1 1 1 32  6  18 o 36.16452 8.016097 211.1061       66.25134 206.5269       71.56575 238.5485       175.1946 37.67870 8.092192 34.65033 13.84008 3.028370       16.03219 
1 1 1 32  8  0  o 484.6031 6.150126 28498.57       720.7486 29056.00       1037.987 27979.57       1001.573 489.1611 8.770770 480.0451 8.623792 9.115997       12.30025 
1 1 1 32  8  1  o 147.0272 2.606021 2614.439       92.64190 2683.903       133.9310 2550.710       128.2823 148.8971 3.717856 145.1573 3.652797 3.739746       5.212042 
1 1 1 32  8  2  o 164.4083 2.726813 3271.431       108.4411 3211.489       151.5178 3334.377       155.2688 162.8653 3.845321 165.9513 3.867239 -3.085983      5.453625 
1 1 1 32  8  3  o 76.01863 3.151353 675.2693       47.77074 657.3266       53.64813 743.9619       104.9699 73.69308 3.009024 78.34418 5.538038 -4.651100      6.302705 
1 1 1 32  8  4  o 118.7480 3.066185 1743.263       73.51546 1773.088       83.86071 1644.259       152.7908 121.0322 2.863883 116.4637 5.422558 4.568497       6.132370 
1 1 1 32  8  5  o 274.6757 4.392899 9059.043       248.6428 8973.680       284.2343 9337.300       513.1750 272.1637 4.316622 277.1876 7.652255 -5.023895      8.785797 
1 1 1 32  8  6  o 234.9765 3.913472 6778.963       194.0952 6867.438       225.7607 6528.257       380.0323 238.1070 3.918987 231.8460 6.775146 6.261002       7.826945 
1 1 1 32  8  7  o 180.3851 3.394819 4108.433       130.4192 4310.447       153.9734 3595.479       245.3545 188.6612 3.373345 172.1090 5.892344 16.55220       6.789637 
1 1 1 32  8  8  o 190.6065 4.246900 4407.925       195.7002 4646.044       282.0273 4186.793       271.7808 195.5711 5.960520 185.6420 6.051183 9.929108       8.493799 
1 1 1 32  8  9  o 203.1148 3.615325 5049.735       152.7398 5087.895       176.1233 4933.968       306.7658 204.8853 3.553068 201.3442 6.297460 3.541122       7.230649 
1 1 1 32  8  10 o 117.4104 3.200441 1741.790       75.60207 1800.020       86.52445 1553.837       155.4487 121.8725 2.934477 112.9483 5.688597 8.924263       6.400882 
1 1 1 32  8  11 o 19.47100 5.965179 6.855753       39.14193 10.62803       42.40899 -14.83641      101.6968 16.29160 6.697073 22.65040 9.873330 -6.358801      11.93036 
1 1 1 32  8  12 o 116.0070 3.263942 1602.187       74.09785 1574.097       82.85039 1714.456       165.6360 113.8433 3.008047 118.1707 5.793524 -4.327324      6.527884 
1 1 1 32  8  13 o 48.69013 6.253356 350.6054       47.92998 368.3419       51.76459 244.0214       126.8949 54.93053 3.895083 42.44973 11.88470 12.48079       12.50671 
1 1 1 32  8  14 o 48.02056 6.410593 367.1087       49.07059 393.3517       53.08670 213.0874       128.6085 56.68704 3.870790 39.35407 12.22292 17.33297       12.82119 
1 1 1 32  8  15 o 59.63807 6.080166 480.0738       56.23671 484.6027       60.54938 451.6360       151.7263 62.75924 3.987766 56.51691 11.48788 6.242332       12.16033 
1 1 1 32  8  16 o 38.16140 6.811170 236.6206       54.91909 257.5014       59.46157 115.4075       143.2639 45.17652 5.440279 31.14629 12.48885 14.03023       13.62234 
1 1 1 32  8  17 o 21.68717 7.134522 -6.010114      56.74617 -7.998939      59.97067 11.00654       175.4194 16.67783 7.412647 26.69650 12.19255 -10.01867      14.26904 
1 1 1 32  8  18 o 35.75772 6.687654 262.0305       69.70339 304.4916       74.43313 -40.58299      198.7077 47.17895 6.521022 24.33649 11.67798 22.84246       13.37531 
1 1 1 32  10 0  o 456.9143 5.821967 25339.09       643.1724 25918.38       929.9222 24807.86       890.5228 461.8960 8.321471 451.9326 8.144588 9.963409       11.64393 
1 1 1 32  10 1  o 263.7887 3.658976 8430.470       233.4853 8327.513       326.9344 8537.643       333.5616 262.1470 5.154818 265.4303 5.194254 -3.283264      7.317952 
1 1 1 32  10 2  o 311.4549 4.171598 11759.77       314.2794 11605.15       439.2284 11921.99       449.8792 309.3616 5.868427 313.5482 5.930472 -4.186615      8.343197 
1 1 1 32  10 3  o 308.4793 4.139446 11513.30       308.4118 11092.24       421.4822 11998.60       452.4866 302.4354 5.760291 314.5233 5.946353 -12.08789      8.278893 
1 1 1 32  10 4  o 262.7018 5.171905 8366.426       328.7122 8366.426       328.7122 0.000000       0.000000 262.7018 5.171905 ?        ?        ?              ?        
1 1 1 32  10 5  o 157.2438 2.742948 2994.599       104.3400 2969.377       146.3276 3020.688       148.8220 156.5711 3.862890 157.9164 3.895271 -1.345261      5.485896 
1 1 1 32  10 6  o 127.9653 2.597949 1982.802       80.41608 1933.688       112.5841 2033.961       114.9024 126.3477 3.683048 129.5830 3.665038 -3.235374      5.195898 
1 1 1 32  10 7  o 62.80057 4.154428 413.0754       48.64351 380.7780       52.92771 588.6972       123.4207 56.05564 3.902666 69.54550 7.335277 -13.48986      8.308856 
1 1 1 32  10 8  o 217.0935 3.797589 5750.389       170.7269 5774.204       196.2838 5676.383       346.0139 218.2586 3.717156 215.9285 6.623404 2.330032       7.595178 
1 1 1 32  10 9  o 195.0095 3.605819 4502.937       140.7727 4411.571       158.5917 4842.356       305.6726 190.7430 3.436605 199.2760 6.340147 -8.532959      7.211637 
1 1 1 32  10 10 o 60.81062 4.875566 491.7870       49.37448 508.4618       53.69380 400.4759       125.6483 64.72852 3.428674 56.89272 9.128461 7.835800       9.751133 
1 1 1 32  10 11 o 69.91853 4.414069 598.4964       52.94772 597.6757       57.36995 603.2124       137.5273 70.13219 3.381153 69.70488 8.154987 0.4273071      8.828137 
1 1 1 32  10 12 o 91.99475 3.957070 1132.497       65.69480 1186.370       73.01856 903.6288       150.5006 98.78214 3.055290 85.20736 7.300604 13.57478       7.914141 
1 1 1 32  10 13 o 118.7729 3.536401 1640.177       76.89120 1591.614       84.05064 1889.352       190.3898 114.3331 3.038552 123.2127 6.386839 -8.879562      7.072801 
1 1 1 32  10 14 o 57.52190 5.197397 359.9970       52.22587 335.7377       56.10841 517.3112       142.8804 52.20111 4.442689 62.84270 9.397566 -10.64159      10.39479 
1 1 1 32  10 15 o 20.84527 6.556926 8.081923       50.41391 16.12895       54.34035 -41.64188      135.0787 18.12453 7.527733 23.56601 10.73808 -5.441481      13.11385 
1 1 1 32  10 16 o 72.10173 5.300574 677.5394       64.33404 673.2537       69.62658 702.5580       168.2268 73.64433 3.907809 70.55914 9.854612 3.085197       10.60115 
1 1 1 32  10 17 o 45.84959 7.586913 372.0991       65.49823 387.6413       70.38759 271.7430       178.8597 54.72545 5.316237 36.97372 14.21206 17.75174       15.17383 
1 1 1 32  12 0  o 180.2385 2.910718 3934.445       126.9185 3959.907       180.6625 3909.632       178.3398 180.8135 4.129855 179.6635 4.102854 1.149979       5.821435 
1 1 1 32  12 1  o 386.5531 5.019714 18026.12       467.1283 17012.52       624.1849 19316.56       704.2821 374.3260 6.892250 398.7802 7.299796 -24.45425      10.03943 
1 1 1 32  12 2  o 109.5585 2.624431 1451.651       69.49564 1545.059       100.1697 1364.969       96.49650 112.9533 3.665516 106.1636 3.756934 6.789696       5.248863 
1 1 1 32  12 3  o 260.0943 3.644025 8199.821       229.2632 8083.515       320.4862 8321.722       328.1023 258.2086 5.130224 261.9800 5.176531 -3.771454      7.288050 
1 1 1 32  12 4  o 164.5357 2.816154 3279.088       112.0908 3232.854       157.0956 3327.037       159.9846 163.3549 3.974929 165.7164 3.990344 -2.361481      5.632308 
1 1 1 32  12 5  o 102.6941 2.694145 1277.617       66.92316 1313.563       95.02963 1242.250       94.26233 104.1286 3.772130 101.2596 3.847687 2.869034       5.388290 
1 1 1 32  12 6  o 110.2305 2.659769 1472.786       70.91154 1495.669       99.59200 1449.256       100.9908 111.1020 3.705104 109.3590 3.817025 1.742973       5.319537 
1 1 1 32  12 7  o 172.9158 2.887855 3622.290       120.7288 3527.911       166.9792 3725.668       174.7589 170.5622 4.046477 175.2694 4.121268 -4.707184      5.775711 
1 1 1 32  12 8  o 166.8623 2.840172 3379.357       114.6392 3395.158       160.8842 3363.059       163.3936 167.2641 3.975654 166.4605 4.057153 0.8035278      5.680345 
1 1 1 32  12 9  o 71.29735 4.683764 675.0197       54.45424 696.2088       58.94281 551.5765       142.2682 75.75877 3.215849 66.83594 8.798231 8.922829       9.367527 
1 1 1 32  12 10 o 74.44375 4.684689 727.5792       57.35705 746.2851       62.09306 618.7983       149.7374 78.38583 3.274185 70.50167 8.778665 7.884155       9.369378 
1 1 1 32  12 11 o 86.02858 3.932276 891.3602       60.51449 882.6516       66.05656 936.8234       150.9289 85.19584 3.204758 86.86131 7.181972 -1.665474      7.864553 
1 1 1 32  12 12 o 48.47241 5.888434 263.2879       48.38052 247.4640       52.06123 363.4741       130.9971 44.88908 4.793706 52.05574 10.75709 -7.166656      11.77687 
1 1 1 32  12 13 o 52.55555 5.972503 319.3941       50.67453 304.9217       54.19333 420.1071       142.9609 49.77364 4.500327 55.33746 11.06482 -5.563816      11.94501 
1 1 1 32  12 14 o 42.72493 6.813154 220.2843       50.77414 209.2136       54.50626 292.9209       139.6166 40.88425 5.510463 44.56560 12.46239 -3.681351      13.62631 
1 1 1 32  12 15 o 71.05769 5.402915 644.5418       63.57318 637.0441       68.46130 691.4932       171.3186 71.72572 3.945191 70.38968 10.05989 1.336037       10.80583 
1 1 1 32  12 16 o 25.64403 7.592160 66.37714       58.03025 67.03547       61.48712 61.01130       175.5423 22.98147 8.436415 28.30658 12.62499 -5.325108      15.18432 
1 1 1 32  12 17 f 38.19158 7.550063 263.7429       63.94083 269.8474       67.78049 214.3962       192.7119 44.56991 6.285802 31.81326 13.72962 12.75666       15.10013 
1 1 1 32  14 0  o 105.2824 2.715636 1342.316       69.13253 1280.783       96.99081 1405.862       98.56451 102.8283 3.898663 107.7366 3.781421 -4.908295      5.431272 
1 1 1 32  14 1  o 61.27084 3.355368 451.4628       49.54030 505.0529       73.88876 407.6993       66.77172 64.54811 4.731431 57.99357 4.758942 6.554539       6.710735 
1 1 1 32  14 2  o 208.0888 3.201324 5237.207       160.9826 5490.795       234.6152 5011.595       221.2958 212.8359 4.556265 203.3416 4.498260 9.494278       6.402647 
1 1 1 32  14 3  o 196.2841 3.099597 4669.832       147.1798 4663.473       206.6063 4676.383       209.7159 196.1511 4.353621 196.4171 4.413160 -0.2659912     6.199193 
1 1 1 32  14 4  o 137.9646 2.740801 2304.132       91.39704 2451.203       131.4173 2166.358       127.1959 142.2276 3.819149 133.7017 3.932184 8.525848       5.481603 
1 1 1 32  14 5  o 190.3076 3.037656 4390.203       139.8203 4312.073       194.8783 4473.089       200.7228 188.5662 4.271667 192.0490 4.319986 -3.482849      6.075313 
1 1 1 32  14 6  o 141.5285 2.761746 2425.867       94.43745 2364.287       129.6146 2495.549       137.8775 139.6234 3.837014 143.4337 3.973195 -3.810242      5.523491 
1 1 1 32  14 7  o 200.4472 3.118793 4880.411       151.2318 4981.223       215.0812 4781.832       212.6870 202.4982 4.390146 198.3961 4.431036 4.102020       6.237585 
1 1 1 32  14 8  o 110.5377 2.678434 1481.820       71.57136 1423.345       98.84735 1546.259       103.7661 108.2507 3.774260 112.8247 3.801447 -4.573952      5.356868 
1 1 1 32  14 9  o 130.8952 2.747483 2085.771       86.96640 2150.793       122.6338 2019.989       123.3475 132.9627 3.812220 128.8278 3.957478 4.134933       5.494966 
1 1 1 32  14 10 o 145.0478 2.802213 2565.696       98.28273 2678.927       139.7406 2454.857       138.2568 148.2341 3.896478 141.8615 4.028280 6.372604       5.604425 
1 1 1 32  14 11 f 98.21320 3.967149 1241.927       69.11366 1268.261       75.92374 1114.575       166.9649 102.0770 3.074308 94.34938 7.314487 7.727623       7.934298 
1 1 1 32  14 12 o 31.16270 6.374491 147.0830       48.11758 169.3430       50.99408 -33.69423      145.3211 36.91478 5.709752 25.41062 11.39892 11.50416       12.74898 
1 1 1 32  14 13 o 25.95556 7.294637 32.56179       48.32079 15.77709       51.61899 151.4575       137.3839 17.81419 7.362681 34.09692 12.59515 -16.28273      14.58927 
1 1 1 32  14 14 o 30.93814 7.816407 100.2157       53.80574 86.83318       57.47866 195.0030       152.9722 25.58931 8.201133 36.28696 13.30888 -10.69765      15.63281 
1 1 1 32  14 15 o 36.37159 6.501855 251.3209       57.20061 284.6187       60.35982 -42.02261      179.1547 47.24217 5.280994 25.50101 11.88308 21.74116       13.00371 
1 1 1 32  14 16 o 19.38620 6.770342 -57.71454      60.22004 -58.66490      63.29415 -48.63771      195.6079 14.19288 6.749853 24.57951 11.73838 -10.38663      13.54068 
1 1 1 32  16 0  o 83.11872 3.012653 835.8690       60.46836 861.3727       88.78204 813.8018       82.58428 84.29548 4.353299 81.94196 4.165707 2.353516       6.025307 
1 1 1 32  16 1  o 140.8104 2.821471 2403.085       96.11430 2410.246       135.3226 2395.795       136.5378 141.0237 3.966212 140.5971 4.013971 0.4265747      5.642942 
1 1 1 32  16 2  o 230.0191 3.406125 6417.824       189.5167 6341.287       264.9656 6497.990       271.1763 228.6192 4.790431 231.4191 4.843400 -2.799942      6.812250 
1 1 1 32  16 3  o 156.0490 2.871664 2948.976       108.3234 2863.114       149.4488 3044.014       157.2322 153.6628 4.019957 158.4352 4.101923 -4.772369      5.743329 
1 1 1 32  16 4  o 169.6499 2.916835 3492.507       119.7023 3554.823       169.0491 3429.842       169.5212 171.1731 4.082021 168.1267 4.167591 3.046417       5.833670 
1 1 1 32  16 5  o 98.88280 2.830330 1185.708       67.65905 1161.126       93.51568 1212.710       98.01125 97.81248 3.951735 99.95313 4.053006 -2.140640      5.660660 
1 1 1 32  16 6  o 60.99379 3.467158 453.5754       51.07723 475.9296       71.51163 430.2944       72.97894 62.54388 4.725954 59.44369 5.074456 3.100197       6.934317 
1 1 1 32  16 7  o 92.27074 2.842830 1036.208       63.41442 1076.654       89.35783 995.1702       90.00879 94.09760 3.925109 90.44386 4.113424 3.653740       5.685661 
1 1 1 32  16 8  o 29.58269 5.885443 110.5366       45.94324 65.57092       65.11755 155.1067       64.83052 24.48925 8.722858 34.67612 7.903512 -10.18687      11.77089 
1 1 1 32  16 9  o 30.17934 5.866970 117.4245       46.21533 162.2958       64.64771 70.52459       66.09293 35.39531 7.762917 24.96337 8.799005 10.43194       11.73394 
1 1 1 32  16 10 o 85.54899 3.027974 892.8862       62.54262 839.7100       85.21644 954.9717       92.07888 82.80603 4.253624 88.29195 4.310589 -5.485916      6.055948 
1 1 1 32  16 11 o 61.65039 3.694103 470.7996       54.98368 474.7095       75.55524 466.3978       80.16685 61.97174 5.039281 61.32904 5.402893 0.6427002      7.388207 
1 1 1 32  16 12 o 52.70636 7.334909 433.6382       70.95116 467.2946       79.04663 294.1107       160.9458 61.20115 5.338527 44.21157 13.66396 16.98958       14.66982 
1 1 1 32  16 13 o 53.32856 6.142028 334.2764       56.15709 311.9962       60.66501 467.6978       148.4541 49.90342 5.024649 56.75370 11.20941 -6.850285      12.28406 
1 1 1 32  16 14 o 19.18887 6.528526 -45.80062      53.96379 -45.21026      57.36629 -50.33908      159.0572 14.26279 6.672029 24.11495 11.22366 -9.852154      13.05705 
1 1 1 32  16 15 o 44.35430 7.328867 392.1333       64.22408 417.6595       67.90043 175.3718       197.8657 56.96658 4.926631 31.74202 13.80498 25.22456       14.65773 
1 1 1 32  18 0  o 139.9498 2.815573 2375.186       95.31895 2429.087       135.9812 2323.116       133.6517 141.5114 3.971781 138.3883 3.991838 3.123093       5.631147 
1 1 1 32  18 1  o 59.98350 3.805370 447.3809       53.67234 331.8306       76.77776 557.8177       75.05969 52.19391 6.080135 67.77308 4.577699 -15.57917      7.610741 
1 1 1 32  18 2  o 198.3790 3.131274 4779.888       150.2746 4772.956       211.1410 4787.005       213.9271 198.2379 4.402338 198.5201 4.454091 -0.2821503     6.262548 
1 1 1 32  18 3  o 102.0259 2.853784 1259.117       70.27924 1149.760       96.31847 1383.628       102.7751 97.30123 4.091560 106.7506 3.979380 -9.449348      5.707568 
1 1 1 32  18 4  o 90.70570 2.931553 1000.549       64.29435 1036.324       90.68113 964.3850       91.17275 92.34595 4.058792 89.06546 4.231102 3.280487       5.863106 
1 1 1 32  18 5  o 119.5450 2.744794 1737.268       79.36880 1788.928       113.0850 1687.117       111.4223 121.3005 3.853365 117.7895 3.909880 3.511047       5.489589 
1 1 1 32  18 6  o 29.01992 5.587503 100.5453       44.04797 172.2361       64.80632 38.98841       60.05152 36.65644 7.558537 21.38339 8.230994 15.27305       11.17501 
1 1 1 32  18 7  o 91.98578 4.327208 1111.973       84.42473 1204.652       100.6483 891.9691       155.0711 99.34388 4.187580 84.62769 7.573842 14.71619       8.654416 
1 1 1 32  18 8  o 148.5253 2.901442 2696.141       104.2525 2739.658       148.2686 2653.589       146.6159 149.7142 4.093398 147.3364 4.113095 2.377792       5.802884 
1 1 1 32  18 9  o 22.53171 6.138777 40.18369       48.29430 11.59974       65.22248 74.87685       71.85517 19.46141 8.176970 25.60201 9.158357 -6.140600      12.27755 
1 1 1 32  18 10 f 67.55301 3.684098 565.5110       60.08969 518.0897       83.71828 615.9022       86.29981 64.58644 5.357678 70.51957 5.058222 -5.933128      7.368197 
1 1 1 32  18 11 o 74.95313 3.449993 700.4206       62.34755 756.3636       87.48811 642.6915       88.87370 78.10360 4.629943 71.80267 5.115999 6.300934       6.899987 
1 1 1 32  18 12 o 29.81273 6.394644 118.9238       52.08374 74.71105       71.19014 169.8453       76.40063 24.81594 9.082560 34.80951 9.004056 -9.993561      12.78929 
1 1 1 32  18 13 o 23.50595 6.398092 61.37622       51.81755 38.83826       70.69487 87.54285       76.17361 21.26462 8.682969 25.74728 9.399383 -4.482658      12.79618 
1 1 1 32  18 14 o 17.51379 6.030437 -57.41605      59.90170 -26.74304      63.18306 -329.9227      188.3263 15.73414 7.234538 19.29343 9.650187 -3.559282      12.06087 
1 1 1 32  20 0  o 73.91453 3.310812 664.9750       59.17678 636.4920       83.03612 694.3713       84.35670 72.29995 4.747082 75.52911 4.616395 -3.229156      6.621624 
1 1 1 32  20 1  o 84.95083 3.072729 877.2470       63.08892 899.0305       91.71158 857.6788       86.92329 85.94314 4.410732 83.95852 4.279263 1.984619       6.145458 
1 1 1 32  20 2  o 20.88094 5.947402 24.54871       46.65701 6.652983       67.73354 40.70693       64.36147 19.69336 8.306705 22.06852 8.513812 -2.375160      11.89480 
1 1 1 32  20 3  o 179.1466 3.025609 3911.283       131.1342 3932.815       185.2939 3889.678       185.6101 179.6454 4.263268 178.6478 4.294391 0.9975433      6.051219 
1 1 1 32  20 4  o 43.88116 6.259615 237.2145       66.45506 0.000000       0.000000 237.2145       66.45506 ?        ?        43.88116 6.259615 ?              ?        
1 1 1 32  20 5  o 88.39753 3.055316 948.4374       65.08775 1071.786       96.27942 844.6179       88.32953 93.67001 4.248450 83.12505 4.392095 10.54497       6.110632 
1 1 1 32  20 6  o 120.7510 2.849951 1780.342       83.21667 1860.254       119.4567 1704.997       115.9921 123.3901 4.001546 118.1119 4.059126 5.278267       5.699901 
1 1 1 32  20 7  o 109.7469 2.996061 1476.316       79.53864 1463.585       113.1673 1488.744       111.8142 109.2644 4.280945 110.2293 4.192736 -0.9648666     5.992122 
1 1 1 32  20 8  o 39.42242 5.916032 205.2735       55.79481 248.2378       78.25251 160.8439       79.57568 44.27861 7.304693 34.56623 9.308018 9.712387       11.83206 
1 1 1 32  20 9  o 103.4518 4.112377 1317.891       102.9280 1317.891       102.9280 0.000000       0.000000 103.4518 4.112377 ?        ?        ?              ?        
1 1 1 32  20 10 o 34.82805 6.338679 167.4095       53.71772 157.2086       74.21600 178.6342       77.85094 33.72198 8.948510 35.93411 8.979953 -2.212132      12.67736 
1 1 1 32  20 11 o 70.64374 3.803007 635.2205       64.57809 670.7164       88.26926 594.3412       94.72673 72.99421 4.998259 68.29327 5.733137 4.700943       7.606014 
1 1 1 32  20 12 o 69.78273 4.030246 623.9358       67.73592 561.4222       90.98486 701.6634       101.4541 65.89054 5.707471 73.67493 5.691775 -7.784386      8.060493 
1 1 1 32  20 13 o 18.79122 5.899946 -5.652139      56.01443 41.64668       76.90373 -59.10141      81.75101 21.19130 8.890148 16.39115 7.759041 4.800152       11.79989 
1 1 1 32  22 0  o 51.04955 6.511759 322.0177       80.42527 322.0177       80.42527 0.000000       0.000000 51.04955 6.511759 ?        ?        ?              ?        
1 1 1 32  22 1  o 133.8729 2.851408 2185.185       92.27335 2317.250       132.3965 2060.447       128.6717 137.8206 3.970637 129.9252 4.093428 7.895325       5.702816 
1 1 1 32  22 2  o 61.15623 3.862488 469.7349       55.89013 396.7407       83.80295 528.2113       75.00758 56.65676 6.113716 65.65570 4.722048 -8.998940      7.724976 
1 1 1 32  22 3  o 31.15075 6.285100 124.7143       50.00212 152.4837       73.83145 101.1858       67.96020 34.03969 8.874067 28.26180 8.902856 5.777891       12.57020 
1 1 1 32  22 4  o 96.53090 3.027208 1141.543       70.63180 1209.276       100.7431 1076.061       99.05517 99.37247 4.190319 93.68934 4.370033 5.683128       6.054417 
1 1 1 32  22 5  o 38.13433 5.769135 184.7908       53.12852 266.0755       79.97568 120.5850       71.07890 45.96532 7.191597 30.30334 9.022892 15.66198       11.53827 
1 1 1 32  22 6  o 25.96712 6.395431 77.49989       49.01768 106.2203       76.67403 57.64834       63.74562 28.76384 9.490458 23.17039 8.575394 5.593449       12.79086 
1 1 1 32  22 7  o 76.08803 3.498555 718.5001       64.36555 752.8184       91.86193 685.4023       90.21374 77.90107 4.874049 74.27499 5.020278 3.626076       6.997109 
1 1 1 32  22 8  o 76.35425 3.789390 730.5237       69.95021 692.9504       97.78668 769.8981       100.1031 74.30406 5.439574 78.40443 5.277210 -4.100372      7.578780 
1 1 1 32  22 9  o 23.13871 6.535246 44.79233       56.35715 80.44499       82.17815 13.13632       77.43522 25.85447 9.703260 20.42296 8.756968 5.431509       13.07049 
1 1 1 32  22 10 o 52.45111 6.749560 361.7151       85.65100 361.7151       85.65100 0.000000       0.000000 52.45111 6.749560 ?        ?        ?              ?        
1 1 1 32  22 11 o 26.41819 8.087751 55.86840       86.44758 147.6502       162.1233 19.40512       102.1868 30.76081 12.90652 22.07557 9.750315 8.685234       16.17550 
1 1 1 32  22 12 o 45.49487 8.158907 393.3261       95.29660 272.3379       145.7094 483.7597       125.9739 36.01753 13.02254 54.97221 9.832821 -18.95468      16.31781 
1 1 1 32  24 0  o 79.61203 3.428705 780.4544       65.99906 819.1454       94.18365 743.1243       92.51232 81.57249 4.772320 77.65157 4.924329 3.920921       6.857409 
1 1 1 32  24 1  o 38.80289 5.619217 191.6743       52.04021 278.0785       78.28738 123.2684       69.65805 47.04419 6.878338 30.56160 8.887680 16.48259       11.23843 
1 1 1 32  24 2  o 105.7352 3.069783 1374.662       78.38235 1265.974       109.7005 1488.025       112.0352 101.4135 4.471060 110.0570 4.207601 -8.643471      6.139567 
1 1 1 32  24 3  o 113.7651 3.014365 1592.701       82.95928 1611.730       118.3362 1574.310       116.3337 114.4279 4.274480 113.1023 4.251401 1.325645       6.028730 
1 1 1 32  24 4  o 92.17317 3.238162 1048.842       72.14282 1095.977       104.8293 1006.433       99.43501 94.12643 4.603294 90.21991 4.555485 3.906517       6.476324 
1 1 1 32  24 5  o 56.05011 4.351750 397.4277       58.72165 395.8694       87.29397 398.7157       79.36154 55.82434 6.463359 56.27588 5.828886 -0.4515343     8.703501 
1 1 1 32  24 6  o 33.62558 6.126318 139.0871       55.45032 268.7946       86.87045 49.90109       72.03407 44.49688 8.376755 22.75427 8.941871 21.74261       12.25264 
1 1 1 32  24 7  o 29.50930 7.947611 92.75939       74.09907 183.9381       134.8702 53.33730       88.68271 34.94534 12.54225 24.07326 9.764730 10.87208       15.89522 
1 1 1 32  24 8  o 39.09576 8.280000 247.8429       85.14196 212.8495       137.0459 269.8394       108.6549 36.09208 12.67473 42.09943 10.65761 -6.007359      16.56000 
1 1 1 32  26 0  o 52.98371 4.625667 355.6788       58.96605 410.4628       86.19678 307.4904       80.84174 56.91267 6.260079 49.05476 6.811649 7.857910       9.251333 
1 1 1 33  1  0  o 244.2549 3.430344 7221.573       202.7079 7173.318       285.3470 7270.734       288.0162 243.4315 4.845006 245.0784 4.857464 -1.646942      6.860688 
1 1 1 33  1  1  o 229.5020 3.289856 6364.087       182.4389 6145.458       250.4460 6611.270       266.2983 225.3126 4.594373 233.6915 4.710026 -8.378876      6.579712 
1 1 1 33  1  2  o 441.8727 5.628962 23677.65       601.7022 23876.13       858.4680 23485.98       843.5977 443.6874 7.997325 440.0580 7.923612 3.629456       11.25792 
1 1 1 33  1  3  o 565.7396 7.095016 38867.98       970.3456 39832.11       1406.451 37992.18       1340.477 572.3944 10.15610 559.0847 9.910130 13.30969       14.19003 
1 1 1 33  1  4  o 248.3962 3.477797 7432.225       208.2249 7013.929       280.1205 7948.782       311.2882 240.6362 4.811514 256.1563 5.022910 -15.52013      6.955595 
1 1 1 33  1  5  o 140.8891 2.547034 2403.056       86.81541 2384.463       122.1078 2422.062       123.4544 140.3382 3.596376 141.4399 3.607715 -1.101746      5.094068 
1 1 1 33  1  6  o 219.7700 3.194499 5851.382       169.8504 5834.608       239.3997 5868.383       241.0179 219.4535 4.508985 220.0865 4.526408 -0.6329803     6.388999 
1 1 1 33  1  7  o 235.9101 3.856841 6870.805       194.3933 7015.077       228.0864 6487.805       371.6271 240.6591 3.917370 231.1611 6.644930 9.498077       7.713681 
1 1 1 33  1  8  o 264.8408 4.222625 8594.893       236.8416 8683.826       275.7895 8345.033       462.2651 267.6968 4.258261 261.9847 7.293111 5.712067       8.445251 
1 1 1 33  1  9  o 31.34665 5.294046 93.85199       36.34687 59.90355       41.49232 205.8299       75.35705 22.28440 6.946141 40.40889 7.991170 -18.12450      10.58809 
1 1 1 33  1  10 o 70.61020 3.246440 585.9673       47.22201 569.4977       53.74161 641.7609       98.91502 68.55873 3.240004 72.66167 5.626711 -4.102936      6.492881 
1 1 1 33  1  11 o 97.37851 2.981998 1109.727       59.65612 1074.438       67.75655 1231.410       125.8190 94.15395 2.974476 100.6031 5.169309 -6.449135      5.963997 
1 1 1 33  1  12 o 35.34841 5.455338 186.1278       46.13697 246.4836       56.43299 64.47353       80.11932 44.94509 5.189775 25.75174 9.597347 19.19336       10.91068 
1 1 1 33  1  13 o 70.44629 3.023239 606.9966       50.78761 745.0609       73.41576 480.2856       70.33245 78.20113 3.880378 62.69144 4.637086 15.50970       6.046478 
1 1 1 33  1  14 o 88.92986 2.837413 959.6704       60.64946 817.4168       82.36342 1128.172       89.64047 81.74693 4.164478 96.11279 3.854967 -14.36585      5.674826 
1 1 1 33  1  15 o 46.25331 4.461712 271.2161       46.72069 183.3398       63.57787 374.3818       68.88708 37.51244 7.267816 54.99418 5.177484 -17.48174      8.923424 
1 1 1 33  1  16 o 60.83804 3.626412 461.7991       53.36309 463.9761       74.73262 459.5343       76.22306 61.00772 5.063177 60.66835 5.193043 0.3393745      7.252824 
1 1 1 33  1  17 f 39.11253 5.974938 215.4975       57.25446 125.2369       80.89251 306.1048       81.04777 29.79902 9.743993 48.42603 6.917670 -18.62702      11.94988 
1 1 1 33  1  18 o 26.90653 6.831374 94.82798       61.55459 165.5515       87.96983 26.98292       86.16103 32.50245 10.11129 21.31061 9.188716 11.19184       13.66275 
1 1 1 33  3  0  o 116.5342 2.856816 1745.289       70.36909 1871.974       83.31943 1430.101       131.4217 124.3827 2.768751 108.6856 4.997959 15.69710       5.713631 
1 1 1 33  3  1  o 472.0027 6.921384 26995.27       682.2007 26944.32       786.2351 27150.51       1372.299 471.5305 6.891922 472.4749 12.00515 -0.9443970     13.84277 
1 1 1 33  3  2  o 216.9275 3.648453 5853.528       169.9527 6047.444       200.6444 5361.095       319.7378 223.5204 3.710287 210.3346 6.283201 13.18584       7.296906 
1 1 1 33  3  3  o 450.8599 6.603831 24904.76       631.2600 25130.81       735.3120 24271.27       1230.945 455.2729 6.675711 446.4468 11.39637 8.826080       13.20766 
1 1 1 33  3  4  o 377.8083 5.648957 17394.67       449.0701 17459.92       520.2719 17204.04       889.3248 379.5547 5.665703 376.0619 9.774594 3.492767       11.29791 
1 1 1 33  3  5  o 139.5030 2.981659 2422.201       87.40268 2492.890       101.8612 2224.866       170.1913 143.5122 2.933714 135.4939 5.191770 8.018341       5.963317 
1 1 1 33  3  6  o 284.4964 4.480771 9735.822       263.6655 9657.815       302.0271 9985.723       540.5806 282.3447 4.421443 286.6481 7.794875 -4.303375      8.961541 
1 1 1 33  3  7  o 192.8459 3.425879 4540.764       138.5884 4574.577       160.4463 4441.404       275.0373 194.3675 3.411959 191.3244 5.941812 3.043015       6.851758 
1 1 1 33  3  8  o 67.61083 3.369114 569.0889       46.05154 581.9758       52.64143 527.0673       95.05821 69.32784 3.138468 65.89382 5.962695 3.434021       6.738228 
1 1 1 33  3  9  o 102.6374 2.919890 1248.823       61.47976 1224.798       69.97282 1330.161       128.7493 100.5735 2.875701 104.7013 5.082654 -4.127808      5.839780 
1 1 1 33  3  10 o 119.7120 3.050711 1845.679       76.06256 1965.982       89.20690 1525.283       145.5807 127.3968 2.894262 112.0273 5.371275 15.36943       6.101422 
1 1 1 33  3  11 o 134.2358 3.048263 2197.708       84.09005 2205.573       96.32659 2172.516       172.3944 134.8937 2.951564 133.5780 5.334407 1.315750       6.096526 
1 1 1 33  3  12 o 120.4489 3.065813 1799.443       76.05146 1830.906       87.53357 1702.558       153.6030 122.8441 2.945222 118.0536 5.377964 4.790443       6.131626 
1 1 1 33  3  13 o 120.6506 3.146605 1737.608       76.51874 1705.698       86.49720 1852.469       164.1055 118.4778 3.017607 122.8234 5.522548 -4.345627      6.293210 
1 1 1 33  3  14 o 98.17535 3.577843 1239.056       78.12562 1340.584       95.96328 1039.500       134.5377 104.7716 3.785815 91.57915 6.072186 13.19240       7.155685 
1 1 1 33  3  15 o 79.01434 3.353673 676.0435       54.16127 604.8022       60.61869 958.0013       120.5960 70.30652 3.563762 87.72216 5.682260 -17.41564      6.707345 
1 1 1 33  3  16 o 62.40275 3.674596 486.6409       55.44778 483.8831       77.08130 489.5981       79.82043 62.24971 5.118107 62.55578 5.274051 -0.3060646     7.349192 
1 1 1 33  3  17 o 28.78658 6.606998 113.0162       55.43675 161.1906       78.12872 64.16827       78.67293 33.48572 9.307995 24.08743 9.379281 9.398285       13.21400 
1 1 1 33  3  18 o 30.88843 6.080809 130.0308       61.77745 -22.66196      89.70043 267.8048       85.20576 18.94273 8.676607 42.83413 8.521820 -23.89140      12.16162 
1 1 1 33  5  0  o 478.9887 7.054852 27564.41       697.1237 27296.07       797.3049 28435.46       1436.494 474.5729 6.944152 483.4045 12.28261 -8.831665      14.10970 
1 1 1 33  5  1  o 331.6957 5.096215 13087.32       345.1602 12875.39       392.3241 13813.21       726.0798 326.0660 4.973213 337.3253 8.896786 -11.25931      10.19243 
1 1 1 33  5  2  o 452.7787 6.656954 24971.86       633.0668 25035.94       732.5751 24782.87       1258.067 454.4272 6.663242 451.1303 11.52655 3.296906       13.31391 
1 1 1 33  5  3  o 295.5096 4.654332 10271.87       277.1314 10026.91       312.7093 11168.35       598.2310 287.7396 4.491990 303.2795 8.153113 -15.53989      9.308664 
1 1 1 33  5  4  o 261.3294 4.182657 8283.560       228.6793 8287.246       263.9269 8272.457       458.0316 261.5934 4.170178 261.0655 7.251765 0.5279236      8.365314 
1 1 1 33  5  5  o 71.48894 3.229726 610.9070       45.65635 604.9500       51.31157 633.5515       100.0410 70.69396 3.000065 72.28391 5.720501 -1.589951      6.459453 
1 1 1 33  5  6  o 63.83576 3.602188 524.2285       43.95800 545.4648       49.49811 444.9732       95.62318 67.12513 3.047903 60.54639 6.527888 6.578739       7.204376 
1 1 1 33  5  7  o 85.61874 3.123510 890.4656       52.90120 892.0551       59.63169 884.5925       114.6250 85.84182 2.871283 85.39566 5.548063 0.4461594      6.247020 
1 1 1 33  5  8  o 186.2940 3.396013 4217.986       131.7957 4227.429       151.8629 4189.173       265.2846 186.8307 3.359705 185.7572 5.902881 1.073486       6.792027 
1 1 1 33  5  9  f 180.7761 3.380063 3878.931       124.2965 3808.405       140.9928 4124.926       263.3210 177.3092 3.286726 184.2429 5.907345 -6.933731      6.760125 
1 1 1 33  5  10 o 83.68285 3.152606 807.7737       52.72306 777.1501       59.12225 926.7103       116.5146 80.08385 3.051432 87.28184 5.517649 -7.197990      6.305211 
1 1 1 33  5  11 o 118.1565 3.079013 1673.652       73.26673 1655.188       82.91364 1739.441       156.5040 116.8453 2.933002 119.4676 5.414682 -2.622299      6.158026 
1 1 1 33  5  12 o 62.72592 4.348358 527.0524       49.54823 553.9047       55.21181 415.9429       112.3096 67.52041 3.379828 57.93144 8.013091 9.588970       8.696715 
1 1 1 33  5  13 o 221.9826 3.865927 5991.989       176.5539 5933.700       201.8212 6182.035       364.4208 220.6266 3.780999 223.3387 6.744301 -2.712097      7.731853 
1 1 1 33  5  14 o 27.92830 5.581277 115.8667       43.81377 149.4571       48.07285 -48.89946      106.4697 34.74481 5.718836 21.11178 9.586321 13.63303       11.16255 
1 1 1 33  5  15 o 70.07314 3.934849 529.6768       53.27688 482.0633       58.54287 759.1910       128.5327 62.67503 3.860799 77.47124 6.857579 -14.79622      7.869699 
1 1 1 33  5  16 o 19.17963 6.145095 -64.45941      46.08317 -91.55408      50.55778 68.60202       112.0397 11.30806 5.532454 27.05120 10.97455 -15.74314      12.29019 
1 1 1 33  5  17 o 38.34386 7.649217 207.7051       58.28897 202.3695       62.61613 242.3557       159.5691 38.77038 6.929835 37.91735 13.63890 0.8530350      15.29843 
1 1 1 33  5  18 o 20.23005 6.223612 20.16650       56.01027 34.80381       87.61052 10.04863       72.84000 21.58641 9.286770 18.87368 8.287901 2.712729       12.44722 
1 1 1 33  7  0  o 44.83014 5.284632 337.8287       38.96059 387.7905       43.45601 133.1350       87.95952 56.60514 3.173157 33.05515 10.08169 23.55000       10.56926 
1 1 1 33  7  1  o 256.7446 4.146753 7972.422       222.3713 7956.733       256.2763 8020.226       447.3499 256.3515 4.132095 257.1378 7.190831 -0.7862854     8.293507 
1 1 1 33  7  2  o 132.0353 2.989664 2091.550       80.60210 2074.932       91.78905 2147.531       168.4705 130.9364 2.897533 133.1342 5.230361 -2.197891      5.979329 
1 1 1 33  7  3  o 278.9362 4.449910 9199.885       251.6285 9010.799       284.8561 9871.505       536.8553 272.7630 4.316559 285.1093 7.782937 -12.34628      8.899819 
1 1 1 33  7  4  o 130.4672 3.054626 2127.905       82.04361 2191.789       94.70497 1935.752       164.2477 134.5650 2.908964 126.3694 5.372234 8.195564       6.109252 
1 1 1 33  7  5  o 16.42091 5.143981 -7.903374      33.60668 -2.538359      37.57132 -29.37537      75.16354 14.23034 6.100673 18.61148 8.283957 -4.381146      10.28796 
1 1 1 33  7  6  o 293.2867 4.575185 10647.15       287.2300 10893.59       337.6025 10001.19       546.5839 299.8077 4.654367 286.7656 7.878207 13.04208       9.150370 
1 1 1 33  7  7  o 73.40259 3.726923 683.3146       52.20662 703.4844       58.57195 605.3539       115.1534 76.22141 3.176219 70.58378 6.743253 5.637627       7.453846 
1 1 1 33  7  8  o 24.21145 6.335129 55.64052       44.76967 57.25511       51.81724 50.88638       88.91590 22.71869 7.804026 25.70421 9.981614 -2.985512      12.67026 
1 1 1 33  7  9  o 143.2262 3.215626 2570.711       94.71272 2649.168       109.3061 2334.325       189.7313 147.8793 3.055166 138.5731 5.659236 9.306274       6.431252 
1 1 1 33  7  10 o 59.89217 4.393083 471.6331       47.93005 491.8835       53.29448 385.9608       109.6188 63.68604 3.458882 56.09829 8.076685 7.587753       8.786165 
1 1 1 33  7  11 o 184.5714 3.480118 4191.121       133.3041 4229.671       153.6467 4073.766       268.0767 186.6590 3.402295 182.4839 6.072006 4.175125       6.960235 
1 1 1 33  7  12 o 19.95637 6.098291 9.687012       40.78044 13.63075       44.15515 -13.19453      106.3580 16.81432 6.863596 23.09842 10.08205 -6.284096      12.19658 
1 1 1 33  7  13 o 82.00864 3.773429 791.1102       57.80219 771.0125       63.59387 886.6151       138.6293 79.57318 3.303287 84.44408 6.785526 -4.870903      7.546858 
1 1 1 33  7  14 o 32.77354 5.627810 184.8461       46.73089 228.2184       51.10098 -36.69244      115.4909 43.02270 4.909410 22.52439 10.12851 20.49830       11.25562 
1 1 1 33  7  15 o 50.13361 5.556318 208.5124       51.32801 150.2579       55.23241 577.3944       138.9867 33.81244 6.982956 66.45480 8.644594 -32.64236      11.11264 
1 1 1 33  7  16 o 50.57967 6.227615 325.6309       56.36001 313.1782       61.83181 386.7936       137.0326 49.93336 5.118219 51.22599 11.35503 -1.292625      12.45523 
1 1 1 33  7  17 o 25.79045 7.675775 28.96863       55.77519 6.695503       59.51549 189.6490       159.8530 17.60661 7.614121 33.97429 13.33024 -16.36767      15.35155 
1 1 1 33  7  18 f 25.44854 8.060022 37.63791       64.08390 14.97878       67.71205 232.2427       198.4363 18.46231 8.051843 32.43477 13.96509 -13.97247      16.12004 
1 1 1 33  9  0  o 110.5367 2.497473 1478.458       66.77409 1512.192       95.68394 1446.431       93.22952 111.7651 3.538591 109.3083 3.525317 2.456863       4.994946 
1 1 1 33  9  1  o 200.0395 3.043736 4845.934       147.2970 4876.344       209.8114 4816.379       206.8391 200.6573 4.321869 199.4216 4.287045 1.235703       6.087471 
1 1 1 33  9  2  o 152.0513 2.668184 2797.720       98.11902 2864.283       141.0876 2735.373       136.5463 153.8011 3.791641 150.3016 3.755034 3.499420       5.336368 
1 1 1 33  9  3  f 218.6530 3.215628 5770.726       169.7007 6096.443       250.8180 5495.740       230.4585 224.3167 4.621627 212.9894 4.472315 11.32726       6.431255 
1 1 1 33  9  4  o 159.7709 3.403509 3132.155       124.3553 3216.345       153.8063 2973.230       211.3195 162.9604 3.901124 156.5815 5.578237 6.378906       6.807018 
1 1 1 33  9  5  o 165.0241 3.335900 3459.531       115.6004 3640.925       135.5912 2976.800       221.1940 173.4097 3.231884 156.6386 5.836765 16.77107       6.671799 
1 1 1 33  9  6  o 66.14572 5.541438 695.5031       63.79402 867.2590       76.07343 288.5187       117.1024 84.61512 3.716060 47.67632 10.44131 36.93880       11.08288 
1 1 1 33  9  7  o 445.8434 6.657142 24088.42       613.0322 23908.94       702.1538 24663.89       1257.275 443.5113 6.543728 448.1754 11.59525 -4.664063      13.31428 
1 1 1 33  9  8  o 305.6254 4.815024 11269.64       303.4011 11176.05       347.0792 11572.87       624.7362 303.4752 4.727191 307.7757 8.389963 -4.300537      9.630048 
1 1 1 33  9  9  o 120.5397 3.184052 1717.177       75.40838 1684.568       84.38016 1846.520       168.0536 117.9075 2.957988 123.1718 5.639419 -5.264252      6.368104 
1 1 1 33  9  10 o 76.46487 3.934309 760.8115       54.17995 787.3236       59.92621 642.1178       126.7968 80.57438 3.074097 72.35537 7.243278 8.219009       7.868618 
1 1 1 33  9  11 o 106.7528 3.406286 1373.501       69.20760 1362.803       76.85171 1419.393       159.1767 105.9569 2.997932 107.5486 6.117478 -1.591660      6.812572 
1 1 1 33  9  12 o 63.37453 4.668252 515.8821       51.27441 524.7595       55.97647 469.6014       127.8091 65.64675 3.524439 61.10232 8.645731 4.544434       9.336505 
1 1 1 33  9  13 o 99.40522 3.770146 1186.167       66.42119 1170.973       72.30495 1268.293       168.1001 98.07053 3.047384 100.7399 6.897062 -2.669388      7.540293 
1 1 1 33  9  14 o 79.15904 4.159019 686.8547       57.74928 647.8669       62.17307 931.9453       155.8839 72.76340 3.531726 85.55467 7.531047 -12.79127      8.318038 
1 1 1 33  9  15 o 31.45115 7.156881 65.92210       51.00047 27.53812       55.35495 281.4991       131.1846 19.26028 7.748852 43.64201 12.03491 -24.38173      14.31376 
1 1 1 33  9  16 o 34.70451 7.792643 140.5506       52.84221 126.3620       56.11552 251.6359       157.0152 30.29110 7.654049 39.11792 13.57633 -8.826817      15.58529 
1 1 1 33  9  17 o 27.11532 7.599483 100.8763       62.53686 110.3329       66.35426 25.71089       187.0722 27.38624 8.815243 26.84440 12.38144 0.5418339      15.19897 
1 1 1 33  11 0  o 213.6151 3.184680 5515.020       164.3506 5295.684       225.1360 5765.261       240.4751 209.0823 4.450670 218.1479 4.556347 -9.065552      6.369361 
1 1 1 33  11 1  o 225.9416 3.298108 6179.817       180.1910 6016.435       249.8974 6356.762       260.0637 222.8360 4.635260 229.0472 4.693020 -6.211227      6.596217 
1 1 1 33  11 2  o 223.7608 3.269032 6064.899       176.9364 5967.387       247.1933 6167.349       253.3728 221.9186 4.604058 225.6030 4.642084 -3.684387      6.538064 
1 1 1 33  11 3  o 79.58176 2.806870 767.0555       54.02576 740.8144       75.96123 793.9173       76.85452 78.20335 4.014804 80.96017 3.923700 -2.756821      5.613739 
1 1 1 33  11 4  o 114.4120 2.610407 1585.623       72.24385 1595.753       101.3848 1575.173       102.9701 114.7848 3.650784 114.0391 3.732114 0.7456741      5.220814 
1 1 1 33  11 5  o 174.9630 2.878733 3708.268       121.8407 3769.010       174.0318 3649.874       170.6359 176.3673 4.078571 173.5586 4.063704 2.808777       5.757467 
1 1 1 33  11 6  o 39.59590 4.346486 190.5503       41.62135 185.0865       59.02358 195.9545       58.70071 39.02819 6.250933 40.16361 6.040991 -1.135422      8.692971 
1 1 1 33  11 7  o 341.2740 5.255341 14290.21       376.2744 14383.86       435.7123 14015.47       746.2737 344.1580 5.232867 338.3900 9.115455 5.768036       10.51068 
1 1 1 33  11 8  o 86.83279 3.638256 911.0065       59.53395 907.6487       65.96228 925.7585       138.2598 86.53950 3.150496 87.12609 6.559117 -0.5865936     7.276513 
1 1 1 33  11 9  f 180.4194 3.542067 3907.991       127.3814 3866.948       143.6032 4059.489       275.8981 178.5442 3.324423 182.2947 6.255650 -3.750519      7.084133 
1 1 1 33  11 10 o 102.5567 3.527565 1238.957       67.45944 1214.409       74.24452 1355.146       161.5247 100.0270 3.067927 105.0864 6.353163 -5.059448      7.055130 
1 1 1 33  11 11 o 70.83266 4.614417 666.7579       56.47589 689.9587       61.91920 551.9334       137.7495 75.30876 3.398424 66.35655 8.580331 8.952209       9.228833 
1 1 1 33  11 12 o 23.28266 5.876814 62.02934       45.56216 96.93835       48.78938 -175.9667      127.3918 27.36320 7.252747 19.20212 9.249077 8.161079       11.75363 
1 1 1 33  11 13 o 76.88695 4.815570 801.9111       59.33772 825.2802       64.08599 661.5110       157.0821 82.24198 3.220826 71.53191 9.076627 10.71007       9.631141 
1 1 1 33  11 14 o 49.18598 6.674619 293.0683       53.96819 280.6279       57.80172 377.6324       150.7011 47.50346 5.029365 50.86850 12.36558 -3.365040      13.34924 
1 1 1 33  11 15 o 50.47351 6.417659 247.6339       55.86387 207.1617       59.64199 537.0613       159.4935 40.28562 6.119273 60.66141 11.28273 -20.37579      12.83532 
1 1 1 33  11 16 o 35.69386 8.126314 148.6227       59.02492 123.5051       63.26109 317.5491       164.0578 29.35455 8.450526 42.03317 13.88296 -12.67862      16.25263 
1 1 1 33  11 17 o 40.16787 8.590876 226.5750       63.72157 202.4888       67.15076 444.4973       201.9841 37.28108 7.699845 43.05467 15.35985 -5.773590      17.18175 
1 1 1 33  13 0  o 225.1419 3.318064 6118.457       180.2896 6490.424       266.6776 5805.332       244.6768 231.4127 4.763181 218.8711 4.620639 12.54155       6.636128 
1 1 1 33  13 1  o 140.8896 2.714416 2403.877       92.50459 2385.867       129.2825 2422.771       132.4163 140.3504 3.807359 141.4287 3.869915 -1.078323      5.428832 
1 1 1 33  13 2  o 99.65544 2.764709 1202.842       66.64346 1192.819       93.12268 1213.365       95.41530 99.23108 3.878872 100.0798 3.940662 -0.8487167     5.529418 
1 1 1 33  13 3  o 144.5901 2.714551 2526.285       94.82285 2415.501       129.9064 2652.625       138.7273 141.2077 3.802504 147.9724 3.875063 -6.764709      5.429102 
1 1 1 33  13 4  o 81.64920 2.904552 808.0757       57.36298 789.0896       81.21009 826.9811       81.03719 80.68995 4.159951 82.60844 4.054689 -1.918495      5.809105 
1 1 1 33  13 5  o 92.18730 2.817241 1030.094       62.83273 1019.798       88.70544 1040.463       89.01317 91.72436 3.997268 92.65025 3.971050 -0.9258881     5.634482 
1 1 1 33  13 6  o 188.8995 3.020108 4324.297       137.9113 4222.895       190.4440 4436.106       199.9772 186.5800 4.218905 191.2190 4.322621 -4.638947      6.040216 
1 1 1 33  13 7  o 208.9836 3.177940 5285.966       160.3040 5043.015       217.8067 5573.111       236.7895 203.7770 4.417878 214.1901 4.569416 -10.41310      6.355879 
1 1 1 33  13 8  o 70.72332 3.032106 607.6685       51.86103 584.4045       72.54851 631.9796       74.16328 69.33683 4.324762 72.10981 4.251012 -2.772980      6.064212 
1 1 1 33  13 9  o 98.34496 3.994620 1157.730       78.96407 1137.731       89.19416 1230.220       169.8115 96.72776 3.811386 99.96215 7.021488 -3.234390      7.989240 
1 1 1 33  13 10 f 148.8174 3.475496 2589.850       98.36819 2518.827       108.7279 2910.173       230.9067 143.9595 3.121750 153.6753 6.210552 -9.715714      6.950991 
1 1 1 33  13 11 o 50.27582 6.562004 400.1086       52.00025 429.1447       56.27745 230.5770       135.9850 59.27819 3.924073 41.27345 12.52363 18.00475       13.12401 
1 1 1 33  13 12 o 72.80786 4.848490 669.4571       58.18626 671.2488       62.68385 658.2986       156.4323 74.13256 3.494977 71.48315 9.045250 2.649406       9.696980 
1 1 1 33  13 13 o 78.09683 4.469556 745.2401       60.66249 735.1297       65.80062 802.4985       156.5907 77.46098 3.511112 78.73267 8.220695 -1.271690      8.939112 
1 1 1 33  13 14 o 66.85376 5.345105 580.4622       61.72802 579.9502       67.20671 583.2243       156.0887 68.47790 4.056579 65.22963 9.890639 3.248268       10.69021 
1 1 1 33  13 15 o 42.70518 7.619720 239.2082       56.50364 228.0518       59.97932 327.1862       168.4328 42.09191 5.889801 43.31846 14.05528 -1.226547      15.23944 
1 1 1 33  13 16 o 47.92556 7.856093 391.0077       66.68359 396.3070       71.32181 354.1939       187.9828 55.20393 5.340108 40.64719 14.77687 14.55674       15.71219 
1 1 1 33  15 0  o 98.43670 2.817510 1173.103       67.05425 1113.470       93.50739 1236.231       96.20835 95.86162 4.031799 101.0118 3.936755 -5.150162      5.635019 
1 1 1 33  15 1  o 95.21106 2.871802 1098.931       66.12136 1135.482       93.38799 1062.189       93.63194 96.80217 3.987527 93.61995 4.133837 3.182220       5.743603 
1 1 1 33  15 2  o 199.8911 3.128250 4834.058       151.1153 5075.552       220.1053 4618.728       207.8403 204.6011 4.446521 195.1810 4.401390 9.420090       6.256499 
1 1 1 33  15 3  o 227.0055 3.351655 6247.734       183.9858 6127.961       255.3926 6376.960       265.2794 224.7511 4.696821 229.2598 4.782701 -4.508682      6.703310 
1 1 1 33  15 4  o 90.48737 2.899699 978.8342       62.97440 833.5187       83.88595 1166.484       95.32524 82.89751 4.182591 98.07722 4.017330 -15.17970      5.799397 
1 1 1 33  15 5  o 286.9823 3.953223 10016.11       274.3929 10224.49       394.1344 9820.119       382.2391 289.8685 5.620060 284.0961 5.561187 5.772400       7.906446 
1 1 1 33  15 6  o 202.9595 3.139777 5005.637       154.1610 5011.591       216.6973 4999.535       219.3603 203.0879 4.410289 202.8312 4.470139 0.2567139      6.279553 
1 1 1 33  15 7  o 95.03397 2.845983 1097.917       65.41929 1105.147       91.68134 1090.417       93.37562 95.35847 3.973922 94.70945 4.075097 0.6490250      5.691966 
1 1 1 33  15 8  o 63.31624 3.508301 489.5779       53.73280 476.9604       75.52969 502.5074       76.45812 62.48613 4.996107 64.14635 4.926623 -1.660229      7.016602 
1 1 1 33  15 9  o 109.1642 2.799248 1455.428       73.77170 1558.206       104.0336 1351.474       104.6267 113.0804 3.802631 105.2480 4.108911 7.832436       5.598495 
1 1 1 33  15 10 o 55.91039 3.835549 383.6936       51.77793 359.5374       70.60569 411.7996       76.15938 54.01820 5.402531 57.80258 5.445953 -3.784374      7.671098 
1 1 1 33  15 11 o 120.0553 3.716933 1864.076       83.80873 1917.675       93.67219 1649.018       187.6331 125.4311 3.086763 114.6796 6.762711 10.75143       7.433866 
1 1 1 33  15 12 o 56.79510 6.121621 417.4376       55.71569 414.6121       60.06377 434.8602       149.1508 58.00163 4.280259 55.58857 11.47067 2.413055       12.24324 
1 1 1 33  15 13 o 51.91985 6.263549 322.2603       56.42973 302.7805       61.16928 433.5515       146.2079 49.17687 5.141267 54.66282 11.42347 -5.485947      12.52710 
1 1 1 33  15 14 o 40.37582 7.241352 254.5509       57.53069 263.8945       61.88819 195.1220       156.0816 45.46032 5.626949 35.29131 13.34489 10.16901       14.48270 
1 1 1 33  15 15 o 30.06170 8.330368 100.9952       59.50975 84.91576       62.73445 245.4491       188.0337 24.62354 8.579505 35.49986 14.28189 -10.87632      16.66074 
1 1 1 33  17 0  o 210.3177 4.585352 5367.177       233.3194 0.000000       0.000000 5367.177       233.3194 ?        ?        210.3177 4.585352 ?              ?        
1 1 1 33  17 1  f 77.16773 3.163793 722.0607       58.96144 731.9885       86.25509 713.3529       80.78190 77.65878 4.590837 76.67668 4.354601 0.9821014      6.327585 
1 1 1 33  17 2  f 30.61142 5.622028 110.1947       46.25519 195.7105       68.55340 38.72477       62.67109 39.39152 7.466501 21.83133 8.407150 17.56019       11.24406 
1 1 1 33  17 3  o 253.4806 3.628552 7801.379       222.2475 7569.471       305.2108 8063.146       324.2646 249.4969 5.056294 257.4643 5.205712 -7.967392      7.257104 
1 1 1 33  17 4  o 188.2692 3.065579 4305.883       139.6136 4412.958       198.8882 4201.864       196.0296 190.5804 4.313487 185.9580 4.357169 4.622345       6.131157 
1 1 1 33  17 5  o 25.65196 5.793999 69.78932       44.58279 128.0083       64.34295 16.02697       61.83120 31.64138 8.301406 19.66255 8.085070 11.97884       11.58800 
1 1 1 33  17 6  o 96.20432 2.835621 1126.291       65.91964 1128.358       91.05363 1124.015       95.55833 96.31129 3.907669 96.09735 4.110123 0.2139359      5.671243 
1 1 1 33  17 7  o 28.67833 7.137259 98.65877       60.07951 125.2108       67.23351 -6.568709      133.8448 31.15822 8.625239 26.19844 11.37397 4.959782       14.27452 
1 1 1 33  17 8  o 18.14584 5.387873 -27.09884      45.21307 51.89193       65.81858 -97.67759      62.21532 23.08850 8.680216 13.20318 6.385182 9.885317       10.77575 
1 1 1 33  17 9  o 111.1432 2.926562 1511.708       78.68867 1537.051       111.8362 1486.861       110.7371 112.0700 4.124683 110.2164 4.152836 1.853638       5.853124 
1 1 1 33  17 10 o 82.61871 3.178824 843.9156       63.19974 923.8463       88.23815 759.7175       90.56303 86.74252 4.204575 78.49492 4.768778 8.247597       6.357648 
1 1 1 33  17 11 o 128.2655 2.975759 2028.274       92.27059 2130.690       131.0233 1927.507       129.9638 131.5294 4.117404 125.0016 4.297388 6.527786       5.951517 
1 1 1 33  17 12 o 27.65206 6.443856 101.6057       50.66639 121.3613       70.24005 80.17636       73.15501 29.74602 8.995105 25.55811 9.229367 4.187912       12.88771 
1 1 1 33  17 13 o 33.97211 8.173739 111.1535       58.62999 81.44917       62.71177 317.3111       165.2111 24.84038 8.582307 43.10384 13.91345 -18.26346      16.34748 
1 1 1 33  17 14 f 29.35767 7.781072 123.2284       60.31797 125.1657       63.96128 107.6621       181.3080 29.18030 8.525278 29.53504 13.01921 -0.3547344     15.56214 
1 1 1 33  19 0  o 109.0612 2.867993 1447.057       75.45107 1577.237       106.8224 1317.453       106.5859 113.9835 3.873628 104.1389 4.230431 9.844620       5.735986 
1 1 1 33  19 1  o 131.7048 2.807311 2103.981       89.35138 2048.749       122.8932 2165.921       130.1420 129.8817 3.910909 133.5280 4.028495 -3.646332      5.614622 
1 1 1 33  19 2  o 19.06128 5.689924 5.210040       44.94326 4.658125       65.48008 5.701635       61.79832 19.28126 8.151973 18.84130 7.940168 0.4399567      11.37985 
1 1 1 33  19 3  o 97.24855 2.900894 1150.409       68.20035 1146.572       94.55082 1154.570       98.46812 97.08984 4.025217 97.40726 4.178323 -0.3174133     5.801788 
1 1 1 33  19 4  o 145.3938 2.840450 2574.010       99.90055 2594.938       140.4100 2552.554       142.1678 146.0021 3.974995 144.7856 4.058576 1.216583       5.680900 
1 1 1 33  19 5  o 92.22078 2.966701 1038.211       66.12737 990.1169       93.81085 1085.710       93.22833 90.07615 4.304680 94.36540 4.083503 -4.289253      5.933403 
1 1 1 33  19 6  o 32.41225 5.332061 120.9154       47.14589 241.1412       71.80799 29.82417       62.50465 44.09303 6.731326 20.73147 8.271201 23.36156       10.66412 
1 1 1 33  19 7  o 35.76231 6.334833 167.4619       54.63671 189.6764       81.09949 149.0000       73.93279 37.89773 8.982252 33.62690 8.935300 4.270832       12.66967 
1 1 1 33  19 8  o 37.14524 6.066277 182.7139       53.39183 187.1698       76.98923 178.5852       74.10805 37.56738 8.649536 36.72310 8.507900 0.8442802      12.13255 
1 1 1 33  19 9  f 19.19900 5.755269 -4.288737      48.25915 -44.96539      65.69509 43.39044       71.12539 15.89731 7.334041 22.50069 8.871546 -6.603374      11.51054 
1 1 1 33  19 10 o 47.16580 5.052523 285.6786       54.91677 210.9780       74.03716 377.0485       81.88213 39.71754 7.981791 54.61406 6.197012 -14.89651      10.10505 
1 1 1 33  19 11 o 35.92448 6.251122 179.5069       53.92167 170.5727       74.28931 189.4545       78.38928 34.99353 8.787214 36.85543 8.893312 -1.861900      12.50224 
1 1 1 33  19 12 o 26.12298 6.567332 88.31686       55.71845 131.3023       74.67364 34.32350       83.69060 30.15993 9.304923 22.08602 9.270266 8.073912       13.13466 
1 1 1 33  19 13 o 37.20825 6.444581 201.9737       59.79719 123.8831       78.98722 306.8177       91.52284 28.53112 9.637003 45.88538 8.559127 -17.35426      12.88916 
1 1 1 33  21 0  o 43.64716 5.106288 244.5232       51.31398 186.0243       73.98369 298.7521       71.23235 37.96930 8.286542 49.32503 5.969083 -11.35573      10.21258 
1 1 1 33  21 1  o 104.8088 2.882870 1332.226       72.83428 1503.513       106.8862 1183.749       99.51485 111.0857 3.977050 98.53181 4.174545 12.55394       5.765740 
1 1 1 33  21 2  o 108.1241 2.888144 1426.228       75.51586 1435.445       105.3866 1416.500       108.2626 108.4983 4.014762 107.7499 4.152974 0.7483978      5.776288 
1 1 1 33  21 3  o 145.4542 2.892258 2583.066       101.7758 2607.166       143.7487 2558.842       144.1173 146.1425 4.065605 144.7659 4.114789 1.376617       5.784516 
1 1 1 33  21 4  o 24.45942 5.886790 36.18525       48.51375 140.9089       75.98007 -35.89664      63.03625 32.78895 9.202159 16.12988 7.344213 16.65907       11.77358 
1 1 1 33  21 5  o 82.85877 3.208331 841.5212       64.09132 852.6834       94.94595 832.1773       86.86925 83.31766 4.710176 82.39989 4.357498 0.9177704      6.416661 
1 1 1 33  21 6  o 74.66260 3.416264 688.7134       61.45887 663.8141       90.06754 710.4090       84.07365 73.32507 5.077075 76.00014 4.572390 -2.675072      6.832528 
1 1 1 33  21 7  o 47.88347 4.728201 291.1496       54.32285 261.4794       78.99017 317.7748       74.82701 45.39996 7.191430 50.36697 6.140592 -4.967014      9.456402 
1 1 1 33  21 8  o 45.81522 5.478388 273.9314       58.90844 321.4883       85.42229 230.8057       81.34538 50.17601 7.036760 41.45442 8.398508 8.721596       10.95678 
1 1 1 33  21 9  o 48.84237 4.907461 307.8133       57.82838 332.1382       81.67982 283.3666       81.88393 50.90997 6.631467 46.77477 7.235769 4.135201       9.814922 
1 1 1 33  21 10 o 36.87912 6.513456 194.2448       58.19917 170.1384       81.90515 218.8291       82.71290 34.36198 9.522728 39.39626 8.889214 -5.034279      13.02691 
1 1 1 33  21 11 o 23.68124 5.752533 16.78224       56.55150 166.3922       77.48264 -153.7632      82.72644 33.50696 9.252956 13.85553 6.837348 19.65143       11.50507 
1 1 1 33  21 12 o 26.69589 7.238333 97.29008       64.47337 62.13088       81.59181 155.7406       105.2014 22.95464 9.345500 30.43714 11.05602 -7.482500      14.47667 
1 1 1 33  23 0  o 66.03799 3.723349 534.1573       59.22592 609.8826       87.13335 469.1257       80.74697 70.39703 5.115967 61.67895 5.411118 8.718079       7.446699 
1 1 1 33  23 1  o 88.56421 3.170532 961.7214       67.91739 981.3552       97.41004 943.1474       94.74479 89.43854 4.501702 87.68988 4.465844 1.748657       6.341063 
1 1 1 33  23 2  o 23.95598 6.314209 42.34346       51.72308 108.0341       79.94685 -4.946646      67.83205 29.27006 9.692498 18.64190 8.095208 10.62815       12.62842 
1 1 1 33  23 3  o 70.64726 3.633476 617.2805       61.86440 611.4969       91.32179 622.1858       84.10236 70.27176 5.371447 71.02276 4.894501 -0.7509995     7.266951 
1 1 1 33  23 4  o 44.45792 5.501536 266.7316       55.62069 172.6460       80.37959 353.1736       77.04537 35.74892 9.229922 53.16691 5.989669 -17.41799      11.00307 
1 1 1 33  23 5  o 35.34474 5.740342 178.2550       54.57818 48.08288       83.32818 276.0538       72.22704 23.89594 9.544811 46.79354 6.379867 -22.89760      11.48068 
1 1 1 33  23 6  o 14.92997 5.008536 -71.09521      47.92189 -90.58767      76.26394 -58.37684      61.60295 15.33428 7.324919 14.52566 6.832810 0.8086195      10.01707 
1 1 1 33  23 7  o 89.40511 3.350388 997.4323       72.32426 920.0324       101.6501 1076.787       102.9257 85.79887 4.896929 93.01134 4.573891 -7.212471      6.700775 
1 1 1 33  23 8  o 30.85760 7.288671 113.3293       72.45720 12.25341       98.41711 232.9566       107.0686 22.27666 9.711548 39.43855 10.87128 -17.16189      14.57734 
1 1 1 33  23 9  o 34.67064 7.119800 180.8809       84.06475 -46.98394      134.6039 326.5913       107.6377 22.28307 10.35567 47.05822 9.773754 -24.77514      14.23960 
1 1 1 33  23 10 o 28.74126 8.226335 102.0994       86.41791 210.7079       146.7662 44.46163       106.9173 33.94201 12.91500 23.54053 10.19280 10.40148       16.45267 
1 1 1 33  25 0  o 43.50663 5.532897 247.9884       56.44367 203.5358       79.23160 293.7944       80.42868 38.89374 8.644283 48.11953 6.908557 -9.225788      11.06579 
1 1 1 33  25 1  o 32.74123 6.657578 143.3084       55.36056 172.4642       84.56699 121.4437       73.23360 35.39936 9.622060 30.08310 9.203767 5.316267       13.31516 
1 1 1 33  25 2  o 78.25318 3.627212 756.1011       68.20515 891.2518       101.5575 645.0599       92.05448 84.63886 4.959522 71.86750 5.294319 12.77136       7.254425 
1 1 1 33  25 3  o 48.01941 5.240639 296.5836       60.41022 311.3627       92.11937 285.4322       80.01881 48.90219 7.786106 47.13662 7.016675 1.765575       10.48128 
1 1 1 33  25 4  o 33.68351 7.946960 124.4004       70.66094 269.7204       138.5012 73.26591       82.15759 41.95827 12.61832 25.40875 9.664101 16.54952       15.89392 
1 1 1 34  0  0  o 283.6180 3.843708 9746.149       372.6846 9746.149       372.6846 9746.149       372.6846 283.6180 5.435823 283.6180 5.435823 0.000000       0.000000 
1 1 1 34  0  1  o 288.8616 3.902193 10110.78       385.3525 10110.78       385.3525 10110.78       385.3525 288.8616 5.518534 288.8616 5.518534 0.000000       0.000000 
1 1 1 34  0  2  o 209.1181 3.099627 5299.292       221.5580 5299.292       221.5580 5299.292       221.5580 209.1181 4.383534 209.1181 4.383534 0.000000       0.000000 
1 1 1 34  0  3  o 107.5240 2.440816 1403.323       89.58656 1403.323       89.58656 1403.323       89.58656 107.5240 3.451835 107.5240 3.451835 0.000000       0.000000 
1 1 1 34  0  4  o 54.06987 2.926418 360.0135       53.40947 360.0135       53.40947 360.0135       53.40947 54.06987 4.138580 54.06987 4.138580 0.000000       0.000000 
1 1 1 34  0  5  o 12.71488 5.505759 16.03561       45.82414 16.03561       45.82414 16.03561       45.82414 12.71488 7.786319 12.71488 7.786319 0.000000       0.000000 
1 1 1 34  0  6  o 558.6164 7.016673 37928.27       1340.149 37928.27       1340.149 37928.27       1340.149 558.6164 9.923074 558.6164 9.923074 0.000000       0.000000 
1 1 1 34  0  7  o 77.21474 2.697822 726.9474       70.87707 726.9474       70.87707 726.9474       70.87707 77.21474 3.815296 77.21474 3.815296 0.000000       0.000000 
1 1 1 34  0  8  o 185.3710 2.903884 4166.366       183.9742 4166.366       183.9742 4166.366       183.9742 185.3710 4.106712 185.3710 4.106712 0.000000       0.000000 
1 1 1 34  0  9  o 46.58651 3.888984 273.7867       59.71909 273.7867       59.71909 273.7867       59.71909 46.58651 5.499855 46.58651 5.499855 0.000000       0.000000 
1 1 1 34  0  10 o 213.9871 3.158156 5555.854       230.9996 5555.854       230.9996 5555.854       230.9996 213.9871 4.466307 213.9871 4.466307 0.000000       0.000000 
1 1 1 34  0  11 o 14.90995 6.107629 33.31338       50.78481 33.31338       50.78481 33.31338       50.78481 14.90995 8.637491 14.90995 8.637491 0.000000       0.000000 
1 1 1 34  0  12 o 8.926504 4.395648 -44.44793      48.14545 -44.44793      48.14545 -44.44793      48.14545 8.926504 6.216385 8.926504 6.216385 0.000000       0.000000 
1 1 1 34  0  13 o 48.80540 4.097367 302.4380       65.87930 302.4380       65.87930 302.4380       65.87930 48.80540 5.794552 48.80540 5.794552 0.000000       0.000000 
1 1 1 34  0  14 o 17.93784 6.892604 57.19518       59.64120 57.19518       59.64120 57.19518       59.64120 17.93784 9.747615 17.93784 9.747615 0.000000       0.000000 
1 1 1 34  0  15 o 8.679200 4.385192 -87.14131      59.03214 -87.14131      59.03214 -87.14131      59.03214 8.679200 6.201598 8.679200 6.201598 0.000000       0.000000 
1 1 1 34  0  16 o 18.26356 7.182599 60.54900       66.43262 60.54900       66.43262 60.54900       66.43262 18.26356 10.15773 18.26356 10.15773 0.000000       0.000000 
1 1 1 34  0  17 o 31.81622 7.961656 172.5411       78.82631 172.5411       78.82631 172.5411       78.82631 31.81622 11.25948 31.81622 11.25948 0.000000       0.000000 
1 1 1 34  0  18 o 22.51139 8.434594 108.9906       87.27530 108.9906       87.27530 108.9906       87.27530 22.51139 11.92832 22.51139 11.92832 0.000000       0.000000 
1 1 1 34  2  0  o 639.1477 9.231964 49575.62       1230.952 49438.88       1417.892 49994.05       2480.302 638.3356 9.181040 639.9598 16.01952 -1.624268      18.46393 
1 1 1 34  2  1  o 238.6011 3.896991 6949.139       196.1575 7006.258       227.7889 6785.247       385.8537 240.5864 3.913445 236.6158 6.740259 3.970551       7.793981 
1 1 1 34  2  2  o 449.0175 6.634900 24277.99       616.0203 24083.37       705.5973 24901.84       1263.283 445.7430 6.542898 452.2921 11.54461 -6.549194      13.26980 
1 1 1 34  2  3  o 566.8181 8.380235 37803.54       945.5314 36818.62       1061.626 41582.39       2079.458 550.7500 7.967367 582.8863 14.74566 -32.13629      16.76047 
1 1 1 34  2  4  o 75.10764 3.045455 723.2664       46.16543 760.0668       53.15868 610.3510       93.11595 79.24771 2.772587 70.96756 5.423278 8.280151       6.090910 
1 1 1 34  2  5  o 160.4407 3.092624 3054.951       102.1017 2999.951       116.3943 3238.549       212.6602 157.4267 3.055985 163.4548 5.377570 -6.028152      6.185249 
1 1 1 34  2  6  o 281.4803 4.415532 9687.882       262.7080 9767.636       305.4177 9461.035       515.0891 283.9366 4.446010 279.0239 7.630247 4.912689       8.831063 
1 1 1 34  2  7  o 236.2238 3.874071 6876.510       194.9371 7001.864       228.1735 6537.775       375.0818 240.4243 3.922696 232.0233 6.681778 8.401001       7.748142 
1 1 1 34  2  8  o 197.5444 3.488627 4639.779       141.4525 4560.102       161.1125 4907.793       295.4879 194.0408 3.431893 201.0479 6.074882 -7.007111      6.977254 
1 1 1 34  2  9  o 180.3512 3.333582 3912.719       124.5173 3882.335       142.7280 4009.518       254.7540 179.0258 3.295273 181.6767 5.795882 -2.650894      6.667164 
1 1 1 34  2  10 o 159.6309 3.190568 3135.996       106.4734 3179.259       123.2729 3008.923       211.2688 161.9751 3.145700 157.2868 5.551889 4.688293       6.381136 
1 1 1 34  2  11 o 122.0064 3.032100 1867.609       76.85237 1928.026       89.16506 1693.040       151.5649 126.1153 2.922299 117.8976 5.313633 8.217697       6.064200 
1 1 1 34  2  12 o 132.7300 3.046216 2113.612       83.04652 2085.486       94.72810 2207.020       172.6293 131.0851 2.986917 134.3749 5.309996 -3.289764      6.092432 
1 1 1 34  2  13 o 55.27057 4.289695 380.0155       47.29499 382.6952       53.61231 370.6127       100.4274 56.01563 3.955971 54.52551 7.612899 1.490120       8.579391 
1 1 1 34  2  14 o 93.18976 2.725064 1061.427       61.40893 1106.744       87.36349 1017.170       86.33631 95.17047 3.794246 91.20904 3.912491 3.961433       5.450127 
1 1 1 34  2  15 o 45.80573 4.677992 268.3175       47.37944 157.0555       63.75283 405.5789       70.81088 34.41749 7.832425 57.19395 5.117379 -22.77646      9.355985 
1 1 1 34  2  16 o 49.81216 4.389373 319.8313       51.38752 404.4862       72.84377 235.9658       72.50330 56.79839 5.300954 42.82594 6.997591 13.97245       8.778747 
1 1 1 34  2  17 o 89.27406 3.383878 1007.047       72.85317 935.0994       104.2797 1075.646       101.8241 85.97639 5.013239 92.57173 4.546422 -6.595345      6.767756 
1 1 1 34  2  18 o 43.58366 6.148646 282.4612       64.32314 433.7214       94.64091 152.6049       87.68960 56.31977 6.945696 30.84754 10.14794 25.47223       12.29729 
1 1 1 34  4  0  o 314.7090 4.829126 12026.76       319.1792 12050.29       369.2197 11957.17       634.9483 315.4682 4.837566 313.9499 8.359412 1.518280       9.658252 
1 1 1 34  4  1  o 139.7748 2.951396 2428.245       87.10211 2498.514       101.7534 2235.574       168.4903 143.6877 2.927029 135.8618 5.125960 7.825897       5.902793 
1 1 1 34  4  2  o 317.7963 4.919708 11988.29       318.4402 11774.37       361.4268 12730.52       673.2394 311.8008 4.791161 323.7918 8.594118 -11.99100      9.839416 
1 1 1 34  4  3  o 285.4360 4.466297 9925.104       268.5855 9973.908       311.4384 9783.462       530.5693 286.9748 4.485657 283.8973 7.724644 3.077423       8.932594 
1 1 1 34  4  4  o 64.84754 3.270588 509.6457       42.86768 509.8387       48.70953 508.9828       90.27663 64.89978 3.102190 64.79530 5.758767 0.1044769      6.541176 
1 1 1 34  4  5  o 242.3235 3.936660 7253.414       203.9421 7413.015       239.4397 6831.648       389.2374 247.4037 4.000255 237.2434 6.781381 10.16025       7.873320 
1 1 1 34  4  6  o 44.50899 4.523737 252.1030       37.53650 257.5858       42.19212 231.2909       82.20329 46.11809 3.781444 42.89988 8.219336 3.218212       9.047475 
1 1 1 34  4  7  o 97.90237 3.091228 1233.117       60.96051 1298.665       70.19025 1031.886       122.9830 103.5750 2.801041 92.22971 5.511526 11.34531       6.182455 
1 1 1 34  4  8  o 134.2377 3.039972 2227.989       84.99458 2272.293       98.37665 2097.561       168.7936 136.9913 2.968224 131.4841 5.306163 5.507233       6.079944 
1 1 1 34  4  9  o 69.23485 3.611305 595.3323       48.48545 604.7555       54.47789 559.4289       106.3381 70.65723 3.186849 67.81248 6.481520 2.844749       7.222610 
1 1 1 34  4  10 o 165.3622 3.249818 3331.833       111.0074 3341.822       127.4372 3300.417       226.0154 166.0507 3.172148 164.6737 5.672984 1.376968       6.499636 
1 1 1 34  4  11 f 44.10709 4.892432 218.9185       41.67646 203.1311       46.40809 284.7115       94.73906 40.85759 4.694817 47.35660 8.585002 -6.499012      9.784864 
1 1 1 34  4  12 o 73.30119 3.556428 618.7856       52.55069 590.4837       59.05391 726.4724       115.1919 69.69536 3.502213 76.90701 6.190898 -7.211655      7.112855 
1 1 1 34  4  13 o 21.11991 6.169574 14.04785       41.27774 4.602022       45.77372 55.16954       95.50621 16.18629 6.828100 26.05352 10.27772 -9.867226      12.33915 
1 1 1 34  4  14 o 67.25403 3.866540 499.2734       51.16560 460.9227       56.67386 668.2927       118.9774 61.39698 3.815342 73.11108 6.726343 -11.71410      7.733079 
1 1 1 34  4  15 o 69.20039 4.167218 603.2839       55.72085 606.0527       62.46847 592.5045       123.2578 70.30602 3.672536 68.09476 7.481665 2.211258       8.334436 
1 1 1 34  4  16 o 69.92354 4.090942 511.6168       57.63870 438.1092       63.87884 833.6705       133.7072 59.38379 4.446177 80.46329 6.868387 -21.07950      8.181885 
1 1 1 34  4  17 o 32.76348 6.349639 153.7151       52.78849 196.2280       76.93124 115.8876       72.56807 37.03362 8.728969 28.49334 9.223706 8.540279       12.69928 
1 1 1 34  4  18 o 28.44308 6.585228 123.1614       58.94869 41.99960       87.16520 191.5692       80.02393 21.87574 9.332951 35.01041 9.292845 -13.13467      13.17046 
1 1 1 34  6  0  o 453.8640 6.716673 24745.61       627.9625 24493.85       717.6647 25568.12       1297.154 449.5049 6.599102 458.2230 11.70071 -8.718018      13.43335 
1 1 1 34  6  1  o 207.0712 3.576688 5252.898       156.2390 5316.009       181.6108 5073.171       306.4742 209.5609 3.582028 204.5815 6.191919 4.979446       7.153376 
1 1 1 34  6  2  o 186.9449 3.388674 4229.047       131.5455 4225.039       151.2095 4241.523       266.7556 186.8265 3.345325 187.0633 5.894169 -0.2367554     6.777347 
1 1 1 34  6  3  o 46.75867 4.032497 248.3616       37.89615 236.2239       42.49242 295.5384       83.77358 44.16772 3.976529 49.34963 7.016505 -5.181911      8.064994 
1 1 1 34  6  4  o 252.7539 4.098028 7765.528       217.0390 7784.658       250.8175 7708.506       433.0309 253.5270 4.089133 251.9808 7.103120 1.546265       8.196055 
1 1 1 34  6  5  o 92.26441 3.151970 1093.099       58.20219 1147.366       66.77278 921.4754       118.7467 97.35932 2.834782 87.16950 5.630602 10.18982       6.303940 
1 1 1 34  6  6  o 44.52190 5.249808 271.4391       41.03835 286.4466       45.57650 207.1386       94.33981 48.62989 3.873784 40.41391 9.758880 8.215981       10.49962 
1 1 1 34  6  7  o 440.6479 6.520954 23804.10       605.6766 23930.82       702.8353 23438.43       1193.891 443.8442 6.545166 437.4516 11.28061 6.392670       13.04191 
1 1 1 34  6  8  o 148.0943 3.329114 2631.343       110.0400 2586.979       131.6709 2734.087       200.3803 146.1188 3.724615 150.0698 5.518989 -3.950958      6.658228 
1 1 1 34  6  9  o 151.6196 3.215859 2854.098       100.2645 2914.764       115.4153 2667.460       202.4365 155.1120 3.075499 148.1272 5.648743 6.984818       6.431717 
1 1 1 34  6  10 o 205.7266 3.618313 5264.813       157.7543 5397.124       184.5217 4905.414       304.1144 210.9278 3.615858 200.5255 6.268519 10.40225       7.236627 
1 1 1 34  6  11 o 95.43218 3.286863 1058.791       60.66095 1027.179       67.35545 1194.527       139.5694 92.01685 3.025542 98.84751 5.836091 -6.830658      6.573725 
1 1 1 34  6  12 o 39.35597 5.903009 256.7423       45.10536 293.6152       49.86036 90.61273       105.8340 49.07062 4.199828 29.64133 11.03374 19.42929       11.80602 
1 1 1 34  6  13 o 34.99232 6.565894 139.2253       45.37526 127.6275       49.64401 198.0964       111.8484 31.48201 6.722236 38.50265 11.28075 -7.020641      13.13179 
1 1 1 34  6  14 o 13.28366 4.656406 -96.95949      41.62922 -77.10030      45.99004 -187.0315      97.94406 11.13839 5.410852 15.42893 7.579654 -4.290538      9.312813 
1 1 1 34  6  15 o 38.04709 7.026731 149.9744       49.83077 126.1710       53.70813 297.2040       133.5727 30.82756 7.311723 45.26662 12.00160 -14.43907      14.05346 
1 1 1 34  6  16 o 53.78608 6.388887 388.5381       57.64960 385.1731       62.70971 406.9007       146.4910 55.53292 4.667474 52.03923 11.89480 3.493694       12.77777 
1 1 1 34  6  17 o 28.43845 7.709093 97.81419       59.10027 87.98469       64.33190 150.9816       149.6178 25.25809 8.694406 31.61880 12.73294 -6.360714      15.41819 
1 1 1 34  6  18 o 20.96126 7.056174 -10.25905      64.32760 -13.81720      68.44052 16.70434       188.4033 16.79274 7.648551 25.12977 11.85993 -8.337034      14.11235 
1 1 1 34  8  0  o 45.55658 3.443613 250.2279       37.84333 266.5172       56.21650 236.7291       51.17514 46.90497 4.953847 44.20819 4.784692 2.696785       6.887226 
1 1 1 34  8  1  o 449.0794 5.732052 24481.37       622.4867 24912.53       896.9802 24080.80       864.5723 452.8735 8.186601 445.2853 8.025288 7.588135       11.46410 
1 1 1 34  8  2  o 355.7499 5.448761 14939.59       390.8862 14604.66       441.3910 16157.05       841.5375 347.1436 5.255476 364.3564 9.546515 -17.21280      10.89752 
1 1 1 34  8  3  o 119.2186 3.047960 1779.468       74.30000 1833.413       85.51572 1613.325       150.0760 123.0734 2.871968 115.3639 5.376991 7.709503       6.095920 
1 1 1 34  8  4  o 164.8813 3.254680 3212.763       108.5101 3148.470       122.7181 3443.189       232.3231 161.2666 3.145298 168.4960 5.699023 -7.229370      6.509360 
1 1 1 34  8  5  o 186.1643 3.434787 4024.704       127.8508 3896.104       143.5653 4517.549       281.0502 179.3805 3.308050 192.9481 6.020618 -13.56766      6.869574 
1 1 1 34  8  6  o 72.16080 3.628710 616.6079       50.51600 607.1217       56.21647 656.3950       115.1301 70.80711 3.281590 73.51450 6.473122 -2.707382      7.257420 
1 1 1 34  8  7  o 208.2841 3.639203 5428.640       162.2068 5634.400       191.4013 4904.224       305.5640 215.6577 3.668409 200.9105 6.286332 14.74724       7.278406 
1 1 1 34  8  8  o 53.35161 4.896257 354.6578       54.16750 362.6699       62.63038 330.8745       107.9064 54.66926 4.735213 52.03396 8.571527 2.635300       9.792514 
1 1 1 34  8  9  o 208.8295 3.717914 5165.178       156.0712 5059.023       176.1001 5553.837       336.9553 204.2546 3.563572 213.4044 6.526292 -9.149857      7.435828 
1 1 1 34  8  10 o 182.9209 3.483305 3953.071       127.2845 3863.724       143.2094 4289.114       277.7344 178.4608 3.316855 187.3811 6.126347 -8.920288      6.966610 
1 1 1 34  8  11 o 125.9082 3.270803 1950.279       81.51197 1963.124       92.05253 1903.629       175.4264 127.1736 2.991827 124.6428 5.817351 2.530769       6.541605 
1 1 1 34  8  12 o 32.89704 6.729136 106.5414       42.11493 92.32195       45.16413 201.3087       116.5953 26.79023 6.919522 39.00385 11.54319 -12.21362      13.45827 
1 1 1 34  8  13 o 88.33223 3.831301 978.7281       61.51801 987.2794       67.75759 938.6079       146.7656 90.03925 3.110454 86.62521 7.002896 3.414047       7.662602 
1 1 1 34  8  14 o 30.79541 6.761840 54.55326       46.81501 17.19480       50.75638 267.4598       121.1688 17.90648 7.339736 43.68435 11.35862 -25.77787      13.52368 
1 1 1 34  8  15 o 47.59120 6.706905 306.8580       56.59673 305.9819       61.85671 311.3623       140.2530 49.48122 5.167068 45.70118 12.37868 3.780037       13.41381 
1 1 1 34  8  16 o 63.10389 5.261089 422.2239       58.87633 378.8517       63.20509 706.7222       161.8774 54.91782 4.757036 71.28996 9.385459 -16.37214      10.52218 
1 1 1 34  8  17 f 32.52449 7.832304 161.0754       60.40251 160.5005       64.20953 165.4967       178.0663 33.30239 8.056857 31.74660 13.43380 1.555794       15.66461 
1 1 1 34  10 0  o 523.0497 6.608048 33222.91       834.7737 34462.14       1224.577 32147.16       1140.951 532.0849 9.512681 514.0145 9.174644 18.07043       13.21610 
1 1 1 34  10 1  f 269.4662 3.725001 8795.100       242.7292 8606.839       336.9265 8998.240       349.9878 266.4747 5.226089 272.4578 5.309474 -5.983032      7.450001 
1 1 1 34  10 2  o 56.86615 3.149969 389.3731       43.02955 460.4510       63.39147 328.6404       58.59689 61.65310 4.249850 52.07920 4.650589 9.573898       6.299937 
1 1 1 34  10 3  o 50.60116 3.422818 310.4932       41.79859 282.6780       58.61646 339.2695       59.62058 48.29067 5.017115 52.91165 4.657390 -4.620979      6.845635 
1 1 1 34  10 4  o 121.7414 2.575460 1794.960       75.81570 1795.053       105.4966 1794.861       109.0298 121.7470 3.581609 121.7358 3.701900 0.1119232E-01  5.150920 
1 1 1 34  10 5  o 91.09703 3.917544 1102.798       73.79024 1218.053       87.34482 815.4670       137.9107 100.2821 3.600073 81.91193 6.959028 18.37019       7.835087 
1 1 1 34  10 6  o 181.2002 3.480639 3988.989       128.8970 3994.687       147.1997 3970.256       266.9078 181.6082 3.350187 180.7921 6.102102 0.8160706      6.961279 
1 1 1 34  10 7  o 283.7147 4.550577 9762.022       267.0549 9734.195       306.3550 9850.090       544.9994 283.2861 4.469896 284.1433 7.927864 -0.8572693     9.101154 
1 1 1 34  10 8  o 29.31570 5.750414 123.8863       43.54695 152.8368       47.93508 -12.87329      104.1846 35.44351 5.590034 23.18789 10.05090 12.25562       11.50083 
1 1 1 34  10 9  o 68.30949 4.204424 591.6061       51.43699 603.2628       56.57116 535.9905       123.5684 70.52550 3.315482 66.09348 7.727633 4.432022       8.408849 
1 1 1 34  10 10 o 115.1660 3.294796 1544.596       72.96166 1500.508       80.88777 1737.061       169.0050 111.2014 3.006562 119.1306 5.863728 -7.929230      6.589592 
1 1 1 34  10 11 o 113.1080 3.439309 1505.818       74.09435 1470.399       82.00461 1663.296       172.9131 110.0015 3.081323 116.2145 6.149864 -6.212936      6.878617 
1 1 1 34  10 12 o 50.91280 6.145453 348.1971       50.04631 354.0175       54.02909 313.0280       132.8105 53.80763 4.150320 48.01798 11.56898 5.789646       12.29091 
1 1 1 34  10 13 o 104.8513 3.807941 1328.220       70.69992 1312.837       76.98457 1411.065       178.6548 103.7791 3.066137 105.9234 6.971404 -2.144356      7.615882 
1 1 1 34  10 14 o 22.48060 6.389465 46.66961       47.69080 68.42611       50.82484 -113.5991      137.9449 23.36849 7.727619 21.59271 10.17767 1.775787       12.77893 
1 1 1 34  10 15 o 58.10957 6.094538 424.4335       59.24928 410.6790       64.13912 504.4616       154.7110 57.38643 4.619677 58.83273 11.27972 -1.446301      12.18908 
1 1 1 34  10 16 o 52.29612 7.273781 332.8347       58.88699 310.4561       62.30510 520.1666       180.2657 49.31850 5.221694 55.27374 13.57812 -5.955238      14.54756 
1 1 1 34  10 17 o 20.48301 6.931497 -21.23234      63.02693 -22.30298      67.04720 -13.09935      184.7923 16.30397 7.480242 24.66204 11.67170 -8.358067      13.86299 
1 1 1 34  12 0  o 244.9430 3.503461 7259.540       207.3714 7026.350       284.9353 7522.151       302.3761 240.7742 4.891410 249.1118 5.017078 -8.337585      7.006922 
1 1 1 34  12 1  o 268.9196 3.736101 8767.466       243.0562 8680.681       341.0340 8857.054       346.4980 267.5692 5.268164 270.2700 5.299081 -2.700836      7.472202 
1 1 1 34  12 2  o 146.4112 2.702191 2595.467       95.69591 2552.546       133.5975 2640.695       137.1410 145.1694 3.803828 147.6530 3.839040 -2.483612      5.404381 
1 1 1 34  12 3  o 31.53437 4.955507 125.7259       41.32394 32.77279       58.88528 215.9250       58.00639 20.88478 8.119390 42.18396 5.683635 -21.29918      9.911014 
1 1 1 34  12 4  o 185.5309 2.969730 4167.791       133.2287 4062.335       184.7103 4282.149       192.3494 183.0892 4.169905 187.9726 4.229548 -4.883408      5.939460 
1 1 1 34  12 5  o 182.3698 2.943218 4019.498       129.6628 4268.276       189.7340 3801.504       177.6078 187.6470 4.179277 177.0926 4.145332 10.55441       5.886436 
1 1 1 34  12 6  o 379.4738 4.957657 17540.61       455.1167 17710.10       648.8803 17376.49       638.5094 381.2690 7.034460 377.6786 6.987833 3.590393       9.915314 
1 1 1 34  12 7  o 189.2725 3.004683 4332.126       137.2543 4128.025       186.3236 4574.290       202.9548 184.4272 4.175807 194.1178 4.321471 -9.690582      6.009366 
1 1 1 34  12 8  o 122.0830 3.413545 1854.423       81.22137 1884.202       91.43412 1743.010       176.8548 124.6660 3.031503 119.4999 6.117119 5.166046       6.827090 
1 1 1 34  12 9  o 73.97237 4.307038 627.6030       54.61224 610.8527       58.80505 732.6591       147.2695 70.92180 3.427146 77.02294 7.902972 -6.101143      8.614076 
1 1 1 34  12 10 o 51.20356 6.037942 292.1824       49.30096 278.4308       52.52328 394.0512       142.9542 47.75011 4.546479 54.65700 11.18734 -6.906891      12.07588 
1 1 1 34  12 11 o 30.51350 7.270793 84.51190       46.48672 71.07194       49.75668 176.7995       130.3839 23.97262 7.624842 37.05438 12.38223 -13.08176      14.54159 
1 1 1 34  12 12 o 82.43208 4.040853 730.0359       60.23450 679.8094       65.16162 1024.985       157.9060 74.59515 3.610597 90.26901 7.230323 -15.67387      8.081706 
1 1 1 34  12 13 o 88.90228 4.005434 910.5641       61.83601 879.1137       66.71451 1102.320       164.7334 84.80190 3.251714 93.00266 7.321227 -8.200752      8.010868 
1 1 1 34  12 14 o 69.46510 5.343774 642.8921       61.65780 650.0776       66.80106 601.5467       160.2397 72.62132 3.802042 66.30888 9.988401 6.312447       10.68755 
1 1 1 34  12 15 o 28.16649 7.468399 101.9753       54.93164 107.7775       58.16587 54.11065       167.0624 27.83874 8.128893 28.49424 12.53112 -0.6555004     14.93680 
1 1 1 34  12 16 o 21.44228 7.077550 1.212295       60.20232 3.874436       63.72080 -20.91612      183.7134 17.66937 7.755584 25.21520 11.84136 -7.545828      14.15510 
1 1 1 34  14 0  o 40.77553 4.636611 202.2672       44.44243 239.8323       66.92175 172.6290       59.44301 44.44367 6.223791 37.10739 6.874378 7.336281       9.273222 
1 1 1 34  14 1  o 172.1851 2.925069 3589.397       121.7950 3487.084       169.1227 3699.627       175.5449 169.6396 4.120715 174.7307 4.152568 -5.091110      5.850138 
1 1 1 34  14 2  o 258.8071 3.664588 8121.277       229.3720 7966.561       319.0868 8286.706       329.9477 256.2630 5.146602 261.3511 5.218172 -5.088104      7.329176 
1 1 1 34  14 3  o 61.09060 3.478602 452.1130       51.33338 489.2475       74.00449 417.6762       71.26566 63.50851 4.816414 58.67269 5.020443 4.835823       6.957204 
1 1 1 34  14 4  o 211.9277 3.213061 5448.101       164.7382 5508.248       233.9467 5388.943       232.0154 213.0887 4.537892 210.7668 4.550009 2.321884       6.426122 
1 1 1 34  14 5  o 240.5532 3.478331 7028.148       202.4218 6997.678       284.4356 7059.416       288.1355 240.0292 4.897987 241.0773 4.940128 -1.048096      6.956662 
1 1 1 34  14 6  o 83.59554 2.885250 842.5070       58.15438 770.9359       78.54726 929.3331       86.51421 79.69363 4.073851 87.49745 4.086859 -7.803825      5.770501 
1 1 1 34  14 7  o 218.3387 3.274977 5798.581       172.9654 5749.782       241.8753 5849.650       247.4397 217.4076 4.598483 219.2699 4.664318 -1.862350      6.549954 
1 1 1 34  14 8  o 30.51691 5.559596 118.7661       41.35593 133.9103       60.33657 105.3470       56.79612 32.29221 7.808631 28.74162 7.915915 3.550587       11.11919 
1 1 1 34  14 9  o 168.5391 4.067941 3462.946       165.8738 3462.946       165.8738 0.000000       0.000000 168.5391 4.067941 ?        ?        ?              ?        
1 1 1 34  14 10 o 136.5609 3.574177 2298.081       94.18908 2303.324       105.3605 2277.216       210.1838 137.5757 3.165436 135.5462 6.409288 2.029587       7.148354 
1 1 1 34  14 11 o 38.78401 7.198725 181.2512       48.85121 177.2830       51.70277 214.2772       149.1586 37.83124 5.648861 39.73679 13.24300 -1.905544      14.39745 
1 1 1 34  14 12 o 87.21164 4.359560 961.1500       64.75361 964.4888       70.22038 942.1772       167.3927 88.83440 3.267229 85.58888 8.083826 3.245522       8.719119 
1 1 1 34  14 13 o 71.37547 4.925840 638.8768       61.23230 632.3569       66.56931 674.7175       156.0766 71.64240 3.840622 71.10854 9.072223 0.5338669      9.851680 
1 1 1 34  14 14 o 32.73575 7.427460 159.4020       57.96791 169.1837       62.03827 92.11184       162.7156 35.24358 7.505732 30.22793 12.81923 5.015646       14.85492 
1 1 1 34  14 15 o 60.81335 6.961214 437.1375       63.20890 405.1394       66.67353 721.2374       198.6678 56.34497 4.890981 65.28172 13.03504 -8.936749      13.92243 
1 1 1 34  14 16 o 30.43225 8.716089 108.8336       63.70774 82.51832       66.83735 370.2558       210.6620 23.68400 8.777829 37.18049 15.06090 -13.49649      17.43218 
1 1 1 34  16 0  o 37.28371 5.466669 176.3851       47.66702 158.3285       68.48512 193.3520       66.38653 35.33184 8.174113 39.23558 7.260975 -3.903736      10.93334 
1 1 1 34  16 1  o 233.0582 3.433648 6590.226       193.5734 6517.766       270.7011 6666.049       276.9127 231.7518 4.827969 234.3646 4.883695 -2.612793      6.867296 
1 1 1 34  16 2  o 91.91755 2.932154 1024.054       65.15337 967.5260       90.96786 1083.594       93.36025 89.31104 4.209985 94.52406 4.082417 -5.213013      5.864307 
1 1 1 34  16 3  o 151.8803 2.860274 2799.207       105.0298 2932.554       149.1167 2667.921       147.9592 155.4794 3.964159 148.2811 4.124332 7.198288       5.720548 
1 1 1 34  16 4  o 164.2833 2.890778 3275.811       114.8766 3364.343       163.3792 3189.244       161.5562 166.4828 4.056253 162.0838 4.119853 4.398972       5.781555 
1 1 1 34  16 5  o 233.1521 3.420896 6613.719       192.9357 6576.467       270.1397 6652.506       275.6483 232.4919 4.802621 233.8123 4.872880 -1.320404      6.841793 
1 1 1 34  16 6  o 24.76415 5.806776 67.95630       42.18926 102.8924       60.93660 35.79222       58.46911 28.55812 8.314896 20.97019 8.107841 7.587931       11.61355 
1 1 1 34  16 7  f 45.10654 4.443527 251.7825       48.10320 218.9517       68.76462 283.2436       67.31496 42.15321 6.742671 48.05986 5.789310 -5.906643      8.887054 
1 1 1 34  16 8  o 102.4032 2.840703 1271.684       70.16864 1179.677       94.92956 1382.500       104.1814 98.34953 3.989577 106.4570 4.044954 -8.107422      5.681406 
1 1 1 34  16 9  o 113.2114 2.843935 1565.018       77.85303 1528.388       107.9465 1604.725       112.3895 111.8413 3.989368 114.5815 4.054232 -2.740234      5.687869 
1 1 1 34  16 10 f 17.92152 5.328692 -26.90569      45.94544 51.49749       62.54876 -118.7849      67.71120 22.57384 8.466721 13.26920 6.472596 9.304645       10.65738 
1 1 1 34  16 11 o 54.96369 4.013997 375.7518       53.23286 416.5121       77.63790 339.5880       73.12948 57.80381 5.551559 52.12357 5.799039 5.680241       8.027993 
1 1 1 34  16 12 o 83.35512 4.841454 922.7313       69.21764 938.8681       75.55251 838.4295       172.6860 87.39917 3.573052 79.31107 8.999557 8.088097       9.682908 
1 1 1 34  16 13 o 42.47257 7.331271 251.3242       57.51829 247.8737       61.98805 272.6948       154.2682 44.06712 5.814214 40.87803 13.46050 3.189098       14.66254 
1 1 1 34  16 14 o 26.86149 7.851688 68.52906       56.16439 59.10966       59.30341 150.5057       174.9496 21.99595 8.245289 31.72703 13.36455 -9.731081      15.70338 
1 1 1 34  16 15 o 51.12489 8.285840 368.1717       68.25990 338.8240       72.21896 614.0392       209.0332 50.21844 5.944095 52.03135 15.46895 -1.812901      16.57168 
1 1 1 34  18 0  o 158.5306 2.873986 3036.380       109.9752 3286.212       162.1192 2823.411       149.6812 164.5425 4.072434 152.5187 4.056411 12.02380       5.747973 
1 1 1 34  18 1  o 127.6772 2.796733 1976.002       86.29815 1922.738       118.7725 2035.568       125.6016 125.8631 3.900455 129.4912 4.009153 -3.628136      5.593465 
1 1 1 34  18 2  o 85.06714 3.000105 878.2402       61.66744 942.3511       88.69558 818.2492       85.79842 88.07595 4.162386 82.05833 4.321697 6.017616       6.000210 
1 1 1 34  18 3  o 111.7981 2.777094 1511.537       74.93682 1391.383       102.1824 1651.356       110.2276 107.0109 3.946805 116.5853 3.907907 -9.574394      5.554189 
1 1 1 34  18 4  o 133.7442 2.767142 2174.770       89.52209 2159.661       125.2411 2190.554       128.0110 133.2745 3.884165 134.2140 3.942279 -0.9395294     5.534284 
1 1 1 34  18 5  o 104.0300 2.814815 1316.271       70.78965 1391.648       101.8147 1245.734       98.49133 106.9175 3.936040 101.1425 4.024963 5.774948       5.629631 
1 1 1 34  18 6  o 181.5009 3.006170 4015.015       131.9115 4187.180       190.8882 3857.654       182.4965 185.2165 4.259878 177.7853 4.242836 7.431152       6.012339 
1 1 1 34  18 7  f 47.72003 5.538502 303.9911       58.13592 243.6645       95.69397 339.2813       73.19092 42.99556 9.456513 52.44450 5.768394 -9.448940      11.07700 
1 1 1 34  18 8  o 30.40343 6.418340 120.1791       51.63400 93.06932       74.02088 145.8727       72.06152 27.57700 9.329051 33.22986 8.817548 -5.652857      12.83668 
1 1 1 34  18 9  o 54.09307 4.127131 364.3041       53.93356 363.8604       74.30002 364.7984       78.41324 54.09988 5.676627 54.08626 5.992390 0.1361465E-01  8.254261 
1 1 1 34  18 10 o 90.79022 3.143572 1016.502       68.88359 995.5557       93.81187 1041.008       101.4705 89.83061 4.316494 91.74982 4.571220 -1.919212      6.287143 
1 1 1 34  18 11 o 20.84100 6.057786 20.72401       50.93482 -17.46964      71.67005 59.70062       72.40093 18.01936 8.049666 23.66264 9.054832 -5.643280      12.11557 
1 1 1 34  18 12 o 22.69581 6.505719 44.62804       55.73500 29.33150       76.20876 62.21792       81.72215 21.25019 8.877666 24.14143 9.512337 -2.891233      13.01144 
1 1 1 34  18 13 o 31.79937 8.364053 106.1601       59.26040 82.73502       62.83833 294.4676       178.1631 24.53765 8.584517 39.06108 14.35742 -14.52343      16.72811 
1 1 1 34  18 14 o 19.82790 6.408241 5.679018       62.51888 42.51640       65.83783 -332.3022      199.4240 20.26264 8.338663 19.39316 9.732878 0.8694878      12.81648 
1 1 1 34  20 0  o 59.60809 3.694461 434.2955       53.08577 429.1719       78.22361 438.6698       72.27766 59.25642 5.456324 59.95976 4.982438 -0.7033424     7.388921 
1 1 1 34  20 1  o 97.16893 2.928350 1149.884       68.82123 1179.616       97.18121 1119.973       97.47530 98.43842 4.080519 95.89944 4.201227 2.538979       5.856701 
1 1 1 34  20 2  o 90.40689 3.034316 996.5588       66.35466 973.0061       93.84757 1020.104       93.83175 89.33020 4.342326 91.48358 4.239400 -2.153381      6.068633 
1 1 1 34  20 3  o 47.37689 4.544746 279.9990       51.44593 248.7992       76.05823 306.3124       69.84882 44.82917 7.012666 49.92461 5.782852 -5.095432      9.089492 
1 1 1 34  20 4  o 131.6788 4.022638 2115.874       128.1531 2115.874       128.1531 0.000000       0.000000 131.6788 4.022638 ?        ?        ?              ?        
1 1 1 34  20 5  o 48.22678 4.373147 282.5499       50.45667 348.7546       77.09852 232.9519       66.73189 53.10789 6.000462 43.34567 6.363343 9.762215       8.746295 
1 1 1 34  20 6  o 169.0865 4.217977 3502.135       172.5502 3502.135       172.5502 0.000000       0.000000 169.0865 4.217977 ?        ?        ?              ?        
1 1 1 34  20 7  o 29.10656 6.385329 101.8361       51.84619 162.1141       78.38540 54.95597       69.12734 34.77592 9.181310 23.43721 8.876556 11.33871       12.77066 
1 1 1 34  20 8  o 45.71464 5.349044 270.8980       57.47397 235.3668       80.38911 308.0499       82.20214 42.12156 8.183322 49.30772 6.890741 -7.186157      10.69809 
1 1 1 34  20 9  f 77.12236 3.400837 736.7648       63.31763 697.2494       86.14431 783.1994       93.38232 74.90599 4.753437 79.33872 4.864936 -4.432732      6.801674 
1 1 1 34  20 10 o 84.33202 3.330117 888.5275       67.94220 885.1830       95.62452 891.9370       96.55174 84.17987 4.695250 84.48418 4.723701 -0.3043060     6.660234 
1 1 1 34  20 11 o 24.97237 6.708999 69.19897       57.30272 31.60754       77.10839 115.5666       85.63758 21.33721 8.923323 28.60752 10.02083 -7.270319      13.41800 
1 1 1 34  20 12 o 67.21709 4.048696 588.2917       65.63663 529.6125       89.78750 655.6398       96.19146 63.53019 5.841621 70.90399 5.607426 -7.373798      8.097392 
1 1 1 34  22 0  o 81.62135 3.276033 815.2062       64.66747 845.2749       92.83063 786.8577       90.13609 83.08570 4.618093 80.15701 4.647880 2.928696       6.552066 
1 1 1 34  22 1  o 181.8896 3.080706 4047.219       135.5375 4009.231       189.3051 4087.175       194.1443 181.0304 4.322237 182.7488 4.391043 -1.718445      6.161412 
1 1 1 34  22 2  o 59.32996 4.065257 447.3259       56.38847 328.1698       81.66350 555.9091       77.95628 51.36939 6.570846 67.29053 4.788448 -15.92115      8.130513 
1 1 1 34  22 3  o 19.22892 5.620754 -5.570692      48.13157 -86.70698      73.25780 56.05574       63.84543 15.26539 7.260443 23.19246 8.582394 -7.927069      11.24151 
1 1 1 34  22 4  o 58.16958 4.101323 429.0667       56.39882 344.7971       82.65432 502.4859       77.14985 52.51608 6.505354 63.82307 4.996375 -11.30699      8.202645 
1 1 1 34  22 5  o 87.58322 3.197848 944.7125       67.72589 987.6417       96.63931 903.2790       94.94102 89.55961 4.460046 85.60683 4.583984 3.952774       6.395696 
1 1 1 34  22 6  o 48.23976 4.600201 291.0850       53.39404 321.3214       80.85802 267.7058       71.10068 50.40033 6.631127 46.07919 6.377738 4.321144       9.200401 
1 1 1 34  22 7  o 107.9938 3.011556 1437.296       78.54818 1331.971       107.9065 1556.009       114.5596 103.7774 4.297764 112.2103 4.219845 -8.432831      6.023111 
1 1 1 34  22 8  o 78.32561 4.971004 792.6319       91.16175 803.3314       148.7692 786.1987       115.3568 78.08607 7.874757 78.56515 6.068913 -0.4790726     9.942007 
1 1 1 34  22 9  o 56.49978 4.814340 417.6336       65.78030 419.4758       91.85606 415.6944       94.24471 56.69710 6.696450 56.30246 6.918744 0.3946342      9.628679 
1 1 1 34  22 10 o 44.37671 8.226697 322.2101       88.62084 310.4105       141.6237 329.8037       113.6128 42.36624 12.76399 46.38717 10.38242 -4.020935      16.45339 
1 1 1 34  22 11 o 40.67753 8.630845 307.0448       92.53465 280.0714       146.8539 324.8067       119.1685 37.62410 13.12561 43.73096 11.21090 -6.106857      17.26169 
1 1 1 34  24 0  o 142.8437 4.111598 2504.413       142.0935 2504.413       142.0935 0.000000       0.000000 142.8437 4.111598 ?        ?        ?              ?        
1 1 1 34  24 1  o 46.82397 4.807549 277.2559       54.28256 295.4837       75.73138 257.9957       77.84657 48.50574 6.453279 45.14221 7.127782 3.363529       9.615097 
1 1 1 34  24 2  o 55.03887 4.438254 381.2878       58.79807 374.1273       87.12727 387.2761       79.67731 54.45000 6.613843 55.62775 5.920261 -1.177746      8.876509 
1 1 1 34  24 3  o 70.85268 3.755458 625.7819       64.03111 625.4562       95.53267 626.0475       86.27991 70.72601 5.583036 70.97934 5.024298 -0.2533340     7.510917 
1 1 1 34  24 4  o 116.1514 3.063897 1663.036       85.93900 1762.935       126.3315 1576.986       117.2483 119.3626 4.374629 112.9401 4.290977 6.422501       6.127794 
1 1 1 34  24 5  o 79.80621 3.525702 795.2393       67.69717 806.1500       101.4508 786.4812       90.89342 80.16904 5.230538 79.44339 4.729033 0.7256470      7.051404 
1 1 1 34  24 6  o 41.16759 7.588916 218.1766       74.41268 375.3718       132.7940 146.2225       89.84349 50.35517 11.19052 31.98001 10.25373 18.37516       15.17783 
1 1 1 35  1  0  o 211.9801 3.111180 5439.909       159.5586 5459.128       226.0872 5420.838       225.2152 212.3531 4.400632 211.6071 4.399113 0.7459717      6.222360 
1 1 1 35  1  1  o 522.7332 6.580133 33152.34       831.5670 33958.42       1204.192 32417.54       1149.725 528.7780 9.412825 516.6884 9.197354 12.08960       13.16027 
1 1 1 35  1  2  o 236.5967 3.356116 6774.494       192.0155 6632.346       266.5290 6927.883       276.8677 234.0204 4.707480 239.1731 4.784733 -5.152710      6.712231 
1 1 1 35  1  3  o 297.8766 4.003331 10753.37       288.5090 10759.80       407.7001 10746.91       408.3273 297.9664 5.655503 297.7868 5.667620 0.1796265      8.006661 
1 1 1 35  1  4  o 418.8744 5.369505 21297.45       544.0134 21599.94       780.0535 21011.01       759.0776 421.7586 7.644660 415.9902 7.542249 5.768402       10.73901 
1 1 1 35  1  5  o 109.8331 2.472263 1459.705       65.67358 1424.920       91.48075 1496.698       94.33810 108.4840 3.485471 111.1822 3.507110 -2.698181      4.944526 
1 1 1 35  1  6  o 179.6384 2.842175 3903.808       123.4344 4039.797       178.7818 3779.940       170.6288 182.6224 4.046382 176.6543 3.992322 5.968018       5.684351 
1 1 1 35  1  7  o 162.9454 3.129112 3206.569       106.5755 3195.682       122.8268 3239.738       214.3915 162.4613 3.124933 163.4295 5.422192 -0.9681549     6.258224 
1 1 1 35  1  8  o 56.19181 3.797683 414.8699       42.23059 442.6760       48.50610 327.7811       85.84350 60.45796 3.316199 51.92566 6.833183 8.532299       7.595365 
1 1 1 35  1  9  o 137.5547 3.013082 2324.371       86.91452 2355.333       100.7636 2234.384       171.7823 139.4532 2.986573 135.6563 5.234026 3.796814       6.026164 
1 1 1 35  1  10 o 13.64006 4.622997 -60.31422      34.10784 -61.86796      38.62503 -54.81262      72.68141 10.44942 5.048030 16.83071 7.746342 -6.381290      9.245995 
1 1 1 35  1  11 o 89.92754 3.084627 1008.884       57.02718 1033.240       65.69756 934.4438       114.8540 92.31187 2.941639 87.54322 5.422772 4.768646       6.169255 
1 1 1 35  1  12 o 46.86648 3.705061 270.4736       41.71685 243.0899       60.40722 295.4408       57.68027 44.54613 5.605011 49.18682 4.847035 -4.640694      7.410121 
1 1 1 35  1  13 o 33.63414 5.289215 146.4996       42.08349 121.2340       58.96481 172.7309       60.08096 30.55690 7.913171 36.71139 7.020319 -6.154495      10.57843 
1 1 1 35  1  14 o 49.92992 3.972266 309.3123       47.86596 330.8828       67.29858 287.2290       68.09380 51.74369 5.375838 48.11616 5.849440 3.627529       7.944531 
1 1 1 35  1  15 o 48.76749 4.232022 298.8799       49.79451 317.8973       69.65024 278.9978       71.21601 50.43559 5.707990 47.09940 6.249712 3.336189       8.464045 
1 1 1 35  1  16 o 44.07549 5.054566 254.7700       52.61481 269.7306       73.78385 239.2917       75.04944 45.84015 6.652931 42.31082 7.611377 3.529327       10.10913 
1 1 1 35  1  17 o 45.14783 5.503067 279.2129       58.56883 256.8659       83.48006 300.8759       82.19262 42.74087 8.372543 47.55479 7.143915 -4.813919      11.00613 
1 1 1 35  1  18 o 21.82944 6.463689 42.13523       58.71198 80.19399       84.00093 5.784437       82.09444 24.30606 9.622774 19.35281 8.632459 4.953245       12.92738 
1 1 1 35  3  0  o 229.3594 3.764309 6510.542       185.3086 6682.221       218.3010 6067.817       350.5609 234.9559 3.840316 223.7629 6.475497 11.19296       7.528618 
1 1 1 35  3  1  o 225.0670 3.735153 6235.497       179.2937 6351.425       210.0106 5923.855       344.3287 229.0606 3.789558 221.0733 6.437757 7.987320       7.470305 
1 1 1 35  3  2  o 76.52251 3.062496 728.8901       47.14610 745.6173       53.78565 673.4087       97.95552 78.49262 2.832274 74.55238 5.430816 3.940239       6.124993 
1 1 1 35  3  3  o 99.43265 2.865423 1270.866       59.47971 1354.890       69.84628 1049.137       113.4623 105.8081 2.728487 93.05717 5.039639 12.75095       5.730847 
1 1 1 35  3  4  o 285.4114 4.488623 9800.511       265.2393 9726.386       303.9966 10036.88       542.8542 283.3680 4.434204 287.4548 7.805689 -4.086792      8.977246 
1 1 1 35  3  5  o 227.2579 3.797768 6206.921       178.8300 6156.807       205.0037 6366.449       365.7611 225.4814 3.757931 229.0344 6.600768 -3.553070      7.595537 
1 1 1 35  3  6  f 248.9617 4.080006 7292.542       205.2167 7115.782       231.7977 7933.374       441.3553 242.3771 3.952895 255.5462 7.138657 -13.16910      8.160012 
1 1 1 35  3  7  o 161.7725 3.169466 3129.710       105.8232 3091.935       120.9734 3252.826       218.3957 159.8001 3.129036 163.7449 5.512821 -3.944824      6.338933 
1 1 1 35  3  8  o 146.8761 3.067099 2595.949       93.28496 2578.339       106.9412 2651.993       190.7791 145.9198 3.029203 147.8324 5.334071 -1.912628      6.134198 
1 1 1 35  3  9  o 179.9509 3.349387 3997.934       126.9339 4071.262       147.6844 3790.601       248.3323 183.3094 3.330028 176.5925 5.812443 6.716858       6.698774 
1 1 1 35  3  10 o 148.2840 3.123818 2718.487       96.68431 2767.607       111.9836 2574.658       191.6229 151.1139 3.063003 145.4540 5.445271 5.659943       6.247636 
1 1 1 35  3  11 o 107.7101 3.049482 1361.035       65.54581 1324.505       73.64227 1500.297       143.7883 104.5110 2.912480 110.9093 5.358622 -6.398315      6.098964 
1 1 1 35  3  12 o 55.95770 4.080109 361.0867       46.74210 342.4149       52.81548 428.5544       100.3961 53.01282 4.117921 58.90257 7.044991 -5.889748      8.160218 
1 1 1 35  3  13 o 34.40302 6.121605 146.7532       44.09271 141.5267       49.69516 166.0916       95.59134 33.28028 6.404459 35.52575 10.43452 -2.245464      12.24321 
1 1 1 35  3  14 o 92.97501 3.518104 1065.234       63.89416 1064.933       71.73772 1066.389       140.5307 93.46256 3.172544 92.48744 6.280382 0.9751205      7.036209 
1 1 1 35  3  15 o 59.89770 5.730751 499.3929       66.42857 531.0852       76.97260 406.9007       131.4957 65.45028 4.860963 54.34512 10.37965 11.10516       11.46150 
1 1 1 35  3  16 o 24.09519 5.776720 42.74345       50.62316 146.2094       71.56232 -60.89415      71.62164 32.41152 8.868626 15.77886 7.404691 16.63266       11.55344 
1 1 1 35  3  17 o 16.78621 5.456481 -60.59282      52.89542 16.35479       78.32731 -125.1053      71.71952 20.31163 8.759502 13.26079 6.508750 7.050832       10.91296 
1 1 1 35  3  18 o 35.70580 6.573946 208.5621       59.67295 146.6911       89.52847 258.0210       80.04604 29.71991 10.25518 41.69170 8.227899 -11.97178      13.14789 
1 1 1 35  5  0  o 312.3846 4.833219 11691.69       311.2337 11566.65       355.7180 12099.94       642.7493 309.0486 4.757479 315.7206 8.414656 -6.672058      9.666438 
1 1 1 35  5  1  o 247.6720 4.020675 7478.009       209.5199 7524.712       242.8562 7342.059       414.3488 249.2995 4.026479 246.0444 6.960659 3.255142       8.041349 
1 1 1 35  5  2  o 137.4999 3.020117 2380.902       87.42983 2484.550       102.4107 2102.320       167.8966 143.2771 2.954380 131.7227 5.268403 11.55438       6.040234 
1 1 1 35  5  3  o 211.7776 3.626717 5356.319       158.2567 5286.811       180.7354 5584.771       327.6613 208.9681 3.574876 214.5871 6.311305 -5.619049      7.253434 
1 1 1 35  5  4  o 341.9508 5.260019 13816.18       363.3383 13513.57       410.6218 14907.79       779.9005 333.9212 5.082714 349.9804 9.210712 -16.05914      10.52004 
1 1 1 35  5  5  o 131.9023 2.999396 2142.991       81.88969 2177.105       94.39979 2039.262       164.6102 134.1088 2.909453 129.6957 5.246006 4.413116       5.998791 
1 1 1 35  5  6  o 127.6688 3.020779 1928.987       77.74474 1893.207       87.84454 2058.299       166.9987 125.0555 2.903420 130.2822 5.298167 -5.226768      6.041558 
1 1 1 35  5  7  o 310.7737 4.822195 11730.10       312.9611 11723.10       360.8372 11751.34       628.7485 310.9486 4.796456 310.5989 8.367095 0.3496399      9.644390 
1 1 1 35  5  8  o 103.1285 3.117368 1322.647       65.61014 1352.715       75.29881 1227.841       133.7081 105.6917 2.944727 100.5653 5.495501 5.126404       6.234737 
1 1 1 35  5  9  o 129.6132 3.115124 2069.902       81.92015 2096.938       93.54620 1980.964       169.6695 131.5691 2.938800 127.6574 5.493582 3.911713       6.230247 
1 1 1 35  5  10 o 73.55280 3.813432 712.0264       51.56474 744.9457       57.52446 577.3944       116.3325 78.39342 3.032987 68.71216 6.997860 9.681267       7.626864 
1 1 1 35  5  11 o 106.4892 3.243851 1408.254       68.32343 1429.120       77.29888 1333.730       146.0833 108.5400 2.943616 104.4383 5.781471 4.101654       6.487702 
1 1 1 35  5  12 o 45.42065 5.603924 285.8105       45.41438 300.6206       50.53780 223.6764       103.5148 49.64569 4.207581 41.19561 10.38808 8.450077       11.20785 
1 1 1 35  5  13 o 64.48465 4.331031 504.8562       52.04371 499.1931       57.42892 530.8745       123.0963 63.96272 3.711089 65.00658 7.826821 -1.043865      8.662062 
1 1 1 35  5  14 o 69.34760 3.850649 541.4376       52.82531 504.9588       58.72862 696.0143       120.8932 64.22740 3.779437 74.46780 6.710130 -10.24040      7.701298 
1 1 1 35  5  15 o 77.92883 3.968499 680.8013       60.21395 631.3481       66.53549 904.5806       141.5358 71.64939 3.838297 84.20827 6.947188 -12.55888      7.936999 
1 1 1 35  5  16 f 25.97782 7.318140 65.13946       54.90525 60.27737       59.93673 90.50565       136.9017 22.66255 8.327856 29.29309 12.03609 -6.630531      14.63628 
1 1 1 35  5  17 o 30.18433 7.981360 121.3621       61.60105 115.6324       66.04773 159.6669       170.7732 28.23265 8.757742 32.13600 13.34580 -3.903345      15.96272 
1 1 1 35  5  18 o 22.96055 6.610573 68.96686       57.67048 58.17339       89.47062 76.63879       75.43147 22.57158 9.535287 23.34952 9.158439 -0.7779388     13.22115 
1 1 1 35  7  0  o 316.9293 4.873473 12247.80       325.2843 12315.14       377.1755 12052.35       642.6119 318.8509 4.889377 315.0076 8.431900 3.843292       9.746945 
1 1 1 35  7  1  o 318.0247 4.916404 12168.81       323.8250 12074.64       371.1915 12468.77       662.4838 315.7101 4.859675 320.3393 8.547964 -4.629181      9.832808 
1 1 1 35  7  2  o 185.3887 3.392478 4157.032       130.4067 4150.571       149.7765 4177.275       265.1305 185.1642 3.343370 185.6133 5.904024 -0.4491882     6.784956 
1 1 1 35  7  3  o 186.3364 3.395287 4345.733       135.0477 4515.415       159.1638 3909.578       255.1806 193.1216 3.406522 179.5513 5.874309 13.57028       6.790574 
1 1 1 35  7  4  o 61.70678 3.934292 529.0867       46.16748 585.1263       52.99873 352.7662       94.00906 69.52159 3.150964 53.89197 7.210134 15.62962       7.868584 
1 1 1 35  7  5  o 182.3024 3.401104 3971.555       126.6431 3923.542       144.1043 4134.444       265.4234 180.0112 3.308834 184.5935 5.943202 -4.582352      6.802208 
1 1 1 35  7  6  o 150.9894 3.179138 2828.705       100.5147 2897.637       116.7885 2631.767       197.4026 154.6973 3.120433 147.2815 5.539907 7.415848       6.358275 
1 1 1 35  7  7  o 182.1225 3.417924 4071.227       129.4604 4118.986       149.4196 3927.424       259.2773 184.4125 3.348998 179.8325 5.959282 4.579987       6.835849 
1 1 1 35  7  8  o 110.6681 3.454654 1465.434       84.94411 1434.380       101.1844 1539.560       156.3305 108.7802 3.844691 112.5559 5.740808 -3.775742      6.909307 
1 1 1 35  7  9  o 41.84722 5.540176 348.3487       44.24057 415.7307       48.50148 14.61035       107.9409 58.55772 3.423486 25.13672 10.53821 33.42099       11.08035 
1 1 1 35  7  10 o 89.28728 3.557579 1009.083       59.91259 1033.604       66.89680 909.6967       134.6757 92.32715 2.994840 86.24741 6.454177 6.079742       7.115158 
1 1 1 35  7  11 o 112.9023 3.277335 1527.031       71.65955 1508.847       79.93915 1601.428       161.6893 111.4948 2.963483 114.3098 5.846491 -2.815002      6.554669 
1 1 1 35  7  12 o 19.30565 6.085187 -14.75398      39.92205 -20.07968      42.97692 18.76264       107.8145 13.72172 6.173618 24.88958 10.48830 -11.16786      12.17037 
1 1 1 35  7  13 o 96.84490 3.627674 1173.673       66.48190 1185.350       74.07012 1125.283       150.7849 98.65792 3.103193 95.03188 6.558222 3.626038       7.255349 
1 1 1 35  7  14 o 75.39580 4.315391 761.8718       60.00985 794.4868       67.06250 630.8150       134.4314 80.59859 3.439141 70.19300 7.915977 10.40559       8.630781 
1 1 1 35  7  15 o 96.16335 3.935193 1205.622       73.15633 1238.601       82.56724 1085.187       157.7853 100.4653 3.396952 91.86143 7.099555 8.603851       7.870386 
1 1 1 35  7  16 o 27.55962 7.219665 98.88192       53.78350 107.1481       57.53009 41.54670       151.5138 27.81920 8.073222 27.30004 11.97152 0.5191593      14.43933 
1 1 1 35  7  17 o 23.07046 7.030975 48.63920       59.26664 60.72368       63.66704 -29.82748      162.2345 22.19136 8.491297 23.94957 11.20876 -1.758209      14.06195 
1 1 1 35  9  0  o 74.41472 2.675615 672.6536       48.01656 629.3613       69.14964 712.9650       66.72649 72.09159 3.964633 76.73784 3.594069 -4.646248      5.351229 
1 1 1 35  9  1  o 332.6597 4.402020 13380.11       353.4429 14029.19       522.1326 12831.13       480.1855 340.0644 6.346252 325.2550 6.102148 14.80936       8.804041 
1 1 1 35  9  2  o 115.4848 2.526501 1615.276       70.56254 1562.064       99.75594 1668.561       99.82510 113.5790 3.630265 117.3906 3.514828 -3.811569      5.053003 
1 1 1 35  9  3  o 44.77129 5.321408 283.7121       40.72774 302.8443       45.04340 197.9774       95.35140 50.00710 3.723035 39.53549 9.970383 10.47161       10.64282 
1 1 1 35  9  4  o 132.8918 3.102320 2190.812       85.22456 2240.353       98.36378 2041.642       170.6839 136.0361 2.988675 129.7474 5.437407 6.288742       6.204641 
1 1 1 35  9  5  o 44.48463 5.619819 390.2978       47.08867 476.3922       52.44508 32.23082       106.9546 62.71871 3.456252 26.25055 10.69504 36.46815       11.23964 
1 1 1 35  9  6  f 183.5364 3.481174 3952.456       128.1685 3852.370       144.3213 4325.997       278.8130 178.3467 3.344747 188.7262 6.106306 -10.37950      6.962349 
1 1 1 35  9  7  o 259.3804 4.270988 7999.885       224.3535 7857.061       254.0641 8505.651       478.0978 254.5695 4.125102 264.1914 7.479900 -9.621918      8.541977 
1 1 1 35  9  8  o 95.58391 3.351585 1056.348       61.71488 1023.638       68.41275 1199.286       143.0124 91.91177 3.076548 99.25606 5.955447 -7.344292      6.703171 
1 1 1 35  9  9  o 17.42715 5.210147 3.687418       37.77020 35.36776       40.68856 -193.6942      101.5619 18.84649 6.871230 16.00781 7.833819 2.838678       10.42029 
1 1 1 35  9  10 o 41.19402 6.312891 220.6935       44.28637 223.7027       47.59978 201.3087       120.8125 42.85214 4.591242 39.53590 11.76141 3.316242       12.62578 
1 1 1 35  9  11 o 51.59073 5.604585 325.7773       47.54763 321.3874       51.33326 352.2903       126.1545 51.33854 4.132882 51.84291 10.41944 -0.5043755     11.20917 
1 1 1 35  9  12 o 87.10359 3.895191 977.0965       62.28960 1001.901       69.09634 869.4825       143.9217 90.72938 3.147784 83.47781 7.126115 7.251564       7.790382 
1 1 1 35  9  13 o 24.84418 6.972291 5.806252       44.13308 -14.01439      46.95966 155.7406       129.1566 14.80133 6.569928 34.88703 12.29990 -20.08570      13.94458 
1 1 1 35  9  14 o 36.89264 7.024823 164.3140       49.49840 154.5627       53.43984 223.2005       131.3228 34.41793 6.658438 39.36734 12.37165 -4.949409      14.04965 
1 1 1 35  9  15 o 59.71486 6.262580 492.7276       59.13597 497.1177       63.95842 466.8650       155.2375 63.31756 4.175142 56.11216 11.80880 7.205399       12.52516 
1 1 1 35  9  16 o 55.11375 7.339748 435.9321       61.89450 431.7458       66.01125 466.3891       178.0525 58.47802 4.665766 51.74948 13.91827 6.728539       14.67950 
1 1 1 35  9  17 o 36.20606 7.234867 248.9377       66.70666 268.7880       70.74433 89.77989       200.3187 44.39024 6.587216 28.02188 12.88339 16.36836       14.46973 
1 1 1 35  11 0  o 217.1458 3.224520 5709.638       169.3376 5588.141       235.5314 5839.638       243.6330 214.7582 4.533115 219.5335 4.587046 -4.775253      6.449041 
1 1 1 35  11 1  o 225.1599 3.290232 6142.187       179.2069 6217.698       256.1555 6069.798       250.8029 226.5133 4.674204 223.8066 4.631880 2.706680       6.580463 
1 1 1 35  11 2  o 224.5093 3.284604 6105.645       178.3601 6232.200       255.9791 5986.224       248.6587 226.7675 4.665749 222.2511 4.624424 4.516495       6.569209 
1 1 1 35  11 3  o 211.2588 3.184809 5385.311       162.3757 5749.269       240.2023 5079.033       220.3480 217.7984 4.558480 204.7193 4.448854 13.07916       6.369619 
1 1 1 35  11 4  o 220.4438 3.264475 5890.640       174.0977 5857.035       244.7802 5925.043       247.6678 219.8090 4.602868 221.0787 4.630420 -1.269669      6.528949 
1 1 1 35  11 5  o 168.5485 2.845855 3441.974       116.0310 3525.622       165.4438 3361.004       162.7739 170.5645 4.009216 166.5326 4.040019 4.031921       5.691710 
1 1 1 35  11 6  o 209.8208 3.764205 5401.193       163.1532 5453.255       187.6228 5239.738       330.4092 212.1281 3.655822 207.5134 6.581180 4.614746       7.528410 
1 1 1 35  11 7  o 184.6614 3.521318 4088.342       131.4693 4044.035       149.0206 4243.902       279.2270 182.6548 3.372198 186.6680 6.182799 -4.013275      7.042636 
1 1 1 35  11 8  o 161.9200 3.406426 3180.500       110.8556 3174.143       125.6312 3202.855       235.6021 161.7944 3.209458 162.0455 6.009520 -0.2511597     6.812852 
1 1 1 35  11 9  o 132.8400 3.431555 2182.223       88.12952 2203.947       98.79175 2097.561       195.0244 134.7828 3.029590 130.8972 6.158235 3.885651       6.863110 
1 1 1 35  11 10 o 120.7581 3.656246 1776.261       81.25392 1771.691       89.48244 1797.740       193.9805 120.7720 3.062453 120.7443 6.640325 0.2769470E-01  7.312492 
1 1 1 35  11 11 o 90.17662 3.728109 992.3724       62.23726 988.4287       68.64426 1010.589       147.5327 90.13562 3.147788 90.21762 6.759188 -0.8200073E-01 7.456218 
1 1 1 35  11 12 o 74.00863 4.254440 633.7332       56.04506 612.6876       60.81177 752.4093       144.4071 70.83887 3.548246 77.17838 7.733757 -6.339508      8.508880 
1 1 1 35  11 13 o 83.05183 4.466417 881.2810       63.36757 887.9768       68.84303 844.1404       162.1376 85.21753 3.339094 80.88612 8.285287 4.331406       8.932835 
1 1 1 35  11 14 f 33.38813 7.515469 141.1329       54.65912 136.0399       59.14048 170.9697       143.1437 31.74587 7.764364 35.03040 12.87027 -3.284533      15.03094 
1 1 1 35  11 15 o 34.60112 8.288758 118.8390       54.41245 98.86094       57.15768 311.9572       177.7091 26.79389 8.116969 42.40834 14.45437 -15.61445      16.57752 
1 1 1 35  11 16 o 36.94931 8.111340 196.1402       61.86131 182.9994       66.12558 288.2808       175.0988 35.76272 7.857164 38.13590 14.19297 -2.373180      16.22268 
1 1 1 35  13 0  f 135.3242 2.722237 2217.753       89.11515 2184.634       124.8613 2252.139       127.2277 134.2950 3.842957 136.3534 3.856679 -2.058411      5.444473 
1 1 1 35  13 1  o 90.88671 2.781499 1001.253       61.12106 961.0989       86.57327 1041.158       86.30383 89.06605 4.017625 92.70737 3.847809 -3.641327      5.562998 
1 1 1 35  13 2  o 173.7142 2.908761 3656.217       122.2375 3627.261       171.4515 3686.152       174.3240 173.0161 4.095930 174.4124 4.131213 -1.396317      5.817522 
1 1 1 35  13 3  o 127.9508 2.700931 1980.049       83.53493 1889.811       115.3194 2079.676       121.1701 124.8892 3.816589 131.0124 3.822794 -6.123207      5.401861 
1 1 1 35  13 4  o 109.1714 2.701950 1443.614       71.34019 1416.214       99.28695 1472.858       102.5739 108.1024 3.796247 110.2404 3.845859 -2.138031      5.403899 
1 1 1 35  13 5  o 35.41479 5.179371 159.2084       43.53244 121.3491       63.26539 193.2526       59.99321 30.97752 8.281717 39.85205 6.222273 -8.874531      10.35874 
1 1 1 35  13 6  o 76.96618 4.310805 719.1443       80.27135 0.000000       0.000000 719.1443       80.27135 ?        ?        76.96618 4.310805 ?              ?        
1 1 1 35  13 7  o 110.7940 3.735032 1489.918       100.1181 1489.918       100.1181 0.000000       0.000000 110.7940 3.735032 ?        ?        ?              ?        
1 1 1 35  13 8  o 89.17503 2.755084 966.1938       59.40356 981.3687       85.78419 952.2129       82.34026 89.84166 3.946637 88.50840 3.845258 1.333260       5.510168 
1 1 1 35  13 9  o 138.8444 3.551933 2382.567       94.95066 2399.209       106.2347 2316.478       211.7062 140.5295 3.124617 137.1593 6.379786 3.370209       7.103865 
1 1 1 35  13 10 f 145.9178 3.506717 2572.619       98.46471 2547.442       109.7014 2676.978       223.3409 144.7130 3.133304 147.1227 6.274605 -2.409729      7.013434 
1 1 1 35  13 11 o 87.88486 4.231048 1000.824       64.96787 1021.842       71.13771 895.1815       159.4864 91.57151 3.210977 84.19820 7.829221 7.373306       8.462096 
1 1 1 35  13 12 f 50.22260 6.435278 300.8634       50.99551 289.9968       54.32545 381.4396       147.9312 48.48542 4.631161 51.95979 12.00848 -3.474369      12.87056 
1 1 1 35  13 13 o 61.10212 5.513953 456.2202       57.20362 444.8893       61.66629 526.1154       153.1575 59.99958 4.248125 62.20465 10.17684 -2.205067      11.02791 
1 1 1 35  13 14 o 27.68623 7.735672 58.62253       54.52449 41.41689       58.34026 177.3944       153.2815 20.64707 8.066530 34.72538 13.20203 -14.07831      15.47134 
1 1 1 35  13 15 o 48.89777 7.723510 376.4966       60.99659 378.6287       64.71953 359.5479       182.4747 54.53099 4.905572 43.26455 14.64738 11.26645       15.44702 
1 1 1 35  13 16 o 20.88634 6.956604 6.710104       62.78595 18.14417       65.73056 -112.3974      212.1468 18.46771 7.994145 23.30498 11.38732 -4.837271      13.91321 
1 1 1 35  15 0  o 166.5291 2.898467 3359.328       116.7451 3463.993       167.2224 3259.806       163.0613 169.0591 4.088403 163.9991 4.109673 5.059967       5.796935 
1 1 1 35  15 1  o 395.7939 5.150408 19052.62       492.7831 18600.60       680.4487 19551.16       714.6064 390.8934 7.195065 400.6945 7.371421 -9.801086      10.30082 
1 1 1 35  15 2  o 239.6129 3.479516 6964.408       201.6349 6843.401       280.4974 7093.800       290.0523 237.4664 4.882300 241.7595 4.958958 -4.293137      6.959031 
1 1 1 35  15 3  o 207.0161 3.183094 5200.833       159.4182 5228.937       224.8325 5172.419       226.0755 207.5822 4.476790 206.4501 4.526225 1.132065       6.366189 
1 1 1 35  15 4  o 194.6524 4.313649 4599.434       203.1454 4599.434       203.1454 0.000000       0.000000 194.6524 4.313649 ?        ?        ?              ?        
1 1 1 35  15 5  o 226.5027 3.353508 6237.639       183.7670 6259.213       259.4225 6215.910       260.3515 226.8998 4.725755 226.1055 4.759338 0.7942963      6.707016 
1 1 1 35  15 6  o 107.2189 2.743315 1395.708       71.10623 1376.696       98.34995 1416.529       102.9248 106.4615 3.818382 107.9764 3.939933 -1.514915      5.486630 
1 1 1 35  15 7  o 35.96316 5.330695 165.7037       45.58622 195.0811       62.48817 132.2827       66.65023 39.85184 6.481076 32.07447 8.465276 7.777367       10.66139 
1 1 1 35  15 8  o 138.9320 2.804843 2351.469       94.25314 2276.426       132.0394 2429.434       134.5852 136.6658 3.993389 141.1982 3.939725 -4.532379      5.609687 
1 1 1 35  15 9  o 56.98272 3.717175 397.6736       50.88119 336.0847       69.77072 467.6355       74.36230 52.24095 5.520264 61.72449 4.979583 -9.483547      7.434350 
1 1 1 35  15 10 o 76.57607 5.238805 746.5605       76.15741 752.5796       85.00256 722.0702       171.4601 78.30198 4.487009 74.85014 9.468213 3.451836       10.47761 
1 1 1 35  15 11 o 71.81388 4.806647 618.6664       58.02607 606.4276       62.41575 696.6092       157.5115 70.36774 3.666219 73.26003 8.886747 -2.892288      9.613295 
1 1 1 35  15 12 o 63.24301 5.394222 468.4263       57.96542 449.5253       62.27182 591.0767       158.6294 60.31451 4.267441 66.17151 9.908555 -5.857002      10.78844 
1 1 1 35  15 13 o 33.04430 6.266102 185.2987       55.02645 222.5101       59.63951 -27.70970      142.6902 41.79283 5.898342 24.29576 11.05738 17.49707       12.53220 
1 1 1 35  15 14 o 44.18252 7.196391 354.4930       61.76715 381.7947       66.45182 181.0827       167.4747 54.77411 5.014518 33.59093 13.49099 21.18318       14.39278 
1 1 1 35  15 15 o 30.87336 7.378489 169.8703       64.78502 187.2763       68.53564 23.77156       198.5595 35.54599 8.144055 26.20073 12.30621 9.345266       14.75698 
1 1 1 35  17 0  o 142.0950 2.801044 2449.034       96.28719 2491.775       136.7782 2407.044       135.5711 143.3256 3.944489 140.8644 3.977988 2.461212       5.602088 
1 1 1 35  17 1  o 137.8737 3.929500 2306.270       131.0753 2306.270       131.0753 0.000000       0.000000 137.8737 3.929500 ?        ?        ?              ?        
1 1 1 35  17 2  o 50.14658 4.092407 306.7749       49.57731 291.0604       70.64683 322.0232       69.59091 48.86787 5.975399 51.42529 5.593369 -2.557419      8.184813 
1 1 1 35  17 3  o 138.0370 2.808744 2312.018       93.71442 2276.795       129.3673 2350.911       135.9414 136.9403 3.904728 139.1336 4.038474 -2.193329      5.617488 
1 1 1 35  17 4  o 92.08090 2.891032 1030.712       64.38626 1033.056       90.01183 1028.257       92.13721 92.19382 4.035482 91.96799 4.140912 0.2258377      5.782064 
1 1 1 35  17 5  o 128.0565 2.751812 1994.861       85.23664 2027.457       119.9939 1961.662       121.0994 129.1216 3.841120 126.9915 3.941530 2.130028       5.503623 
1 1 1 35  17 6  o 52.70029 3.809102 340.0388       48.47543 369.3793       69.56086 312.3368       67.59080 54.92756 5.234465 50.47302 5.535106 4.454544       7.618204 
1 1 1 35  17 7  o 89.68474 4.247573 997.3683       79.72960 1003.092       92.26251 980.4878       158.4399 90.63074 4.207726 88.73874 7.379874 1.892006       8.495146 
1 1 1 35  17 8  o 59.94526 3.879838 444.2807       56.07211 483.9809       79.03452 404.0468       79.56400 62.70491 5.209702 57.18562 5.750790 5.519295       7.759676 
1 1 1 35  17 9  o 52.08704 4.219267 340.3338       52.66291 372.1985       72.20048 304.1083       76.98251 54.83462 5.442306 49.33946 6.449044 5.495159       8.438535 
1 1 1 35  17 10 o 62.66331 3.777837 487.9445       57.24659 467.4692       79.93508 509.5035       82.02309 61.29955 5.389864 64.02708 5.295051 -2.727524      7.555674 
1 1 1 35  17 11 o 72.95341 3.485639 660.0521       61.37593 604.9857       83.85648 723.5869       90.07401 69.67115 4.974865 76.23566 4.883588 -6.564514      6.971278 
1 1 1 35  17 12 o 20.25387 6.579314 -5.922116      53.53372 5.533489       57.16666 -87.55503      152.6042 17.49310 7.513051 23.01465 10.80294 -5.521547      13.15863 
1 1 1 35  17 13 o 27.16100 7.409377 98.82412       58.71786 111.0064       62.15681 -2.218917      179.0103 27.89373 8.467702 26.42828 12.16115 1.465452       14.81875 
1 1 1 35  17 14 o 18.10909 6.240704 -51.53273      61.64867 -29.22197      65.22240 -238.5485      188.8333 15.77206 7.287234 20.44611 10.13320 -4.674055      12.48141 
1 1 1 35  19 0  o 68.27537 3.401327 562.7759       55.84783 484.4541       75.50674 657.3759       82.98310 63.06239 4.948950 73.48835 4.667334 -10.42596      6.802654 
1 1 1 35  19 1  o 57.39010 3.777637 402.6378       52.33359 390.8559       75.92150 413.3041       72.23759 56.56894 5.547336 58.21127 5.129251 -1.642334      7.555273 
1 1 1 35  19 2  o 109.2243 2.807953 1451.586       74.18303 1477.471       104.4404 1425.229       105.3874 110.2156 3.916725 108.2331 4.024631 1.982468       5.615905 
1 1 1 35  19 3  o 82.34049 3.088579 826.7216       61.45953 877.5427       87.42282 777.0601       86.41968 84.85880 4.258196 79.82218 4.474935 5.036621       6.177157 
1 1 1 35  19 4  o 73.47118 4.574893 659.4537       81.32056 659.4537       81.32056 0.000000       0.000000 73.47118 4.574893 ?        ?        ?              ?        
1 1 1 35  19 5  o 32.42059 6.080004 137.5586       48.52079 126.1014       71.59566 147.2904       65.98478 31.20708 8.991768 33.63409 8.186202 -2.427019      12.16001 
1 1 1 35  19 6  o 150.8020 2.893018 2776.191       105.4725 2912.158       152.4662 2651.408       146.0611 154.3409 4.083100 147.2630 4.099573 7.077957       5.786035 
1 1 1 35  19 7  o 17.64654 5.599630 -31.92456      50.27282 -3.635623      72.27337 -58.44311      69.97533 19.31907 8.372614 15.97401 7.437928 3.345061       11.19926 
1 1 1 35  19 8  o 147.0929 4.101730 2656.734       145.9692 2656.734       145.9692 0.000000       0.000000 147.0929 4.101730 ?        ?        ?              ?        
1 1 1 35  19 9  o 31.10008 6.410743 129.4547       52.40176 93.76300       73.27175 166.8221       74.97205 27.17842 9.281294 35.02174 8.845794 -7.843321      12.82149 
1 1 1 35  19 10 o 39.79989 5.677523 212.7339       52.70201 191.2244       71.78011 237.8899       77.62655 37.52368 8.140786 42.07610 7.916102 -4.552422      11.35505 
1 1 1 35  19 11 o 67.56013 3.872910 578.1417       62.88786 493.8359       86.48158 672.7507       91.61390 62.18459 5.748289 72.93568 5.191813 -10.75110      7.745821 
1 1 1 35  19 12 o 24.33409 6.676388 73.00730       56.20871 71.27982       78.57623 74.81763       80.43871 24.14467 9.381289 24.52351 9.502002 -0.3788395     13.35278 
1 1 1 35  19 13 o 43.15065 8.282521 271.6832       64.88959 250.8179       68.75482 441.7609       196.2977 42.79049 6.641308 43.51082 15.17543 -0.7203369     16.56504 
1 1 1 35  21 0  o 31.77298 6.088877 131.1820       48.14747 116.6817       69.72163 144.4007       66.56931 30.19172 8.923829 33.35423 8.286313 -3.162500      12.17775 
1 1 1 35  21 1  o 107.0884 2.884499 1400.826       74.65276 1347.713       106.6047 1451.935       104.5745 105.0682 4.193753 109.1087 3.961538 -4.040573      5.768999 
1 1 1 35  21 2  o 92.53354 3.080741 1047.487       68.93148 1013.095       97.82855 1081.398       97.14274 91.00456 4.443244 94.06252 4.268659 -3.057953      6.161482 
1 1 1 35  21 3  o 65.96406 3.667928 537.5846       58.24408 502.5162       84.84115 568.8447       80.10213 63.85441 5.491783 68.07370 4.863651 -4.219288      7.335856 
1 1 1 35  21 4  o 44.81231 5.169328 262.2325       52.98813 217.9784       80.71741 295.7461       70.24281 40.77458 8.459542 48.85004 5.943395 -8.075466      10.33866 
1 1 1 35  21 5  o 56.96159 3.989292 391.2914       53.96637 515.4225       83.71227 303.0173       70.59362 64.54842 5.360449 49.37476 5.909601 15.17366       7.978584 
1 1 1 35  21 6  o 101.5288 3.014604 1267.624       74.04823 1271.612       105.0771 1263.689       104.3666 101.6843 4.271216 101.3732 4.255356 0.3111343      6.029208 
1 1 1 35  21 7  o 33.04258 6.129290 148.1794       51.70277 201.7155       72.68407 93.34315       73.56136 38.91888 7.986983 27.16628 9.299510 11.75260       12.25858 
1 1 1 35  21 8  o 46.60034 6.895997 281.4146       71.24078 372.2784       128.0670 240.6977       85.72930 51.20357 10.68347 41.99711 8.722535 9.206463       13.79199 
1 1 1 35  21 9  o 69.57671 3.830892 611.8979       64.41956 607.6435       88.99339 616.5812       93.37018 69.38677 5.301256 69.76664 5.531693 -0.3798676     7.661784 
1 1 1 35  21 10 o 64.13779 4.271268 542.8448       64.62356 644.3732       89.03166 429.7903       93.94955 71.16799 5.170796 57.10759 6.799838 14.06041       8.542537 
1 1 1 35  21 11 o 26.08209 7.859420 58.02154       82.67153 148.7210       144.6019 13.97977       100.7636 30.51612 12.43461 21.64805 9.615734 8.868065       15.71884 
1 1 1 35  21 12 o 20.95138 6.987846 -35.45478      83.10355 46.54372       150.0392 -71.74301      99.81242 24.46983 11.21317 17.43293 8.341754 7.036898       13.97569 
1 1 1 35  23 0  o 157.2913 2.984965 3028.439       113.5002 3201.281       163.5535 2867.876       157.6370 161.6337 4.182399 152.9488 4.260000 8.684860       5.969930 
1 1 1 35  23 1  o 22.95792 5.526035 -3.376192      49.26125 144.2949       74.39442 -118.6805      65.73781 32.94445 9.053990 12.97138 6.338259 19.97307       11.05207 
1 1 1 35  23 2  o 35.93425 6.145473 174.8466       53.01312 146.1091       79.57636 197.7776       71.08408 33.04365 9.467710 38.82485 7.837717 -5.781204      12.29095 
1 1 1 35  23 3  f 21.30204 6.182692 26.83393       51.02632 16.87150       76.16375 34.94691       68.73146 21.02441 8.835100 21.57968 8.651226 -0.5552673     12.36538 
1 1 1 35  23 4  o 22.27179 5.996063 14.33991       50.81359 110.2154       77.87949 -56.73064      67.05238 29.05462 9.563728 15.48896 7.235067 13.56565       11.99213 
1 1 1 35  23 5  o 16.75806 5.430160 -38.69756      49.60748 -58.65928      76.71944 -24.35472      65.03154 16.70168 7.780543 16.81444 7.576918 -0.1127663     10.86032 
1 1 1 35  23 6  o 33.41858 5.884216 141.5576       50.73871 248.2210       78.80788 66.04163       66.31035 43.02398 7.860729 23.81319 8.758136 19.21078       11.76843 
1 1 1 35  23 7  o 101.0357 4.379755 1336.250       104.4370 1118.144       156.2937 1512.195       140.3774 92.66116 6.971745 109.4102 5.303189 -16.74905      8.759511 
1 1 1 35  23 8  o 31.37384 8.070803 148.3673       81.40292 84.41404       143.7050 178.5842       98.77913 28.49730 12.06406 34.25039 10.72427 -5.753084      16.14161 
1 1 1 35  25 0  o 140.5035 3.009252 2434.656       102.1919 2376.476       140.8170 2499.388       148.5341 138.7733 4.194178 142.2338 4.316394 -3.460541      6.018504 
1 1 1 35  25 1  o 30.95199 6.756945 132.2498       56.68010 100.8548       86.74998 155.6354       74.87106 28.25385 10.06758 33.65012 9.014936 -5.396265      13.51389 
1 1 1 35  25 2  o 37.08214 7.380221 196.0812       65.32911 186.6746       123.1853 199.7621       77.05813 35.92916 12.03541 38.23512 8.545151 -2.305962      14.76044 
1 1 1 36  0  0  o 69.42905 2.643986 588.3547       62.39215 588.3547       62.39215 588.3547       62.39215 69.42905 3.739161 69.42905 3.739161 0.000000       0.000000 
1 1 1 36  0  1  o 332.3122 4.385137 13385.32       498.2019 13385.32       498.2019 13385.32       498.2019 332.3122 6.201519 332.3122 6.201519 0.000000       0.000000 
1 1 1 36  0  2  o 452.6467 5.758552 24854.25       891.1951 24854.25       891.1951 24854.25       891.1951 452.6467 8.143822 452.6467 8.143822 0.000000       0.000000 
1 1 1 36  0  3  o 285.3164 3.870218 9867.426       377.5016 9867.426       377.5016 9867.426       377.5016 285.3164 5.473315 285.3164 5.473315 0.000000       0.000000 
1 1 1 36  0  4  o 502.8944 6.350046 30707.81       1091.839 30707.81       1091.839 30707.81       1091.839 502.8944 8.980321 502.8944 8.980321 0.000000       0.000000 
1 1 1 36  0  5  o 221.3434 3.231668 5938.922       244.5077 5938.922       244.5077 5938.922       244.5077 221.3434 4.570269 221.3434 4.570269 0.000000       0.000000 
1 1 1 36  0  6  f 202.1329 3.050481 4953.154       210.7540 4953.154       210.7540 4953.154       210.7540 202.1329 4.314032 202.1329 4.314032 0.000000       0.000000 
1 1 1 36  0  7  o 140.9472 2.604884 2409.662       125.4270 2409.662       125.4270 2409.662       125.4270 140.9472 3.683862 140.9472 3.683862 0.000000       0.000000 
1 1 1 36  0  8  o 274.4967 3.772782 9139.889       354.0347 9139.889       354.0347 9139.889       354.0347 274.4967 5.335519 274.4967 5.335519 0.000000       0.000000 
1 1 1 36  0  9  o 60.69497 3.017770 452.8052       61.95778 452.8052       61.95778 452.8052       61.95778 60.69497 4.267772 60.69497 4.267772 0.000000       0.000000 
1 1 1 36  0  10 o 225.8745 3.280093 6193.448       253.2544 6193.448       253.2544 6193.448       253.2544 225.8745 4.638752 225.8745 4.638752 0.000000       0.000000 
1 1 1 36  0  11 f 65.53552 2.960588 527.2395       65.76402 527.2395       65.76402 527.2395       65.76402 65.53552 4.186904 65.53552 4.186904 0.000000       0.000000 
1 1 1 36  0  12 o 79.06355 2.797394 764.4511       75.24187 764.4511       75.24187 764.4511       75.24187 79.06355 3.956113 79.06355 3.956113 0.000000       0.000000 
1 1 1 36  0  13 f 18.70073 6.958797 63.28468       59.10323 63.28468       59.10323 63.28468       59.10323 18.70073 9.841226 18.70073 9.841226 0.000000       0.000000 
1 1 1 36  0  14 o 81.02997 2.977548 806.2764       82.04189 806.2764       82.04189 806.2764       82.04189 81.02997 4.210888 81.02997 4.210888 0.000000       0.000000 
1 1 1 36  0  15 o 28.37381 7.730833 138.4425       71.13010 138.4425       71.13010 138.4425       71.13010 28.37381 10.93305 28.37381 10.93305 0.000000       0.000000 
1 1 1 36  0  16 o 13.43145 6.197919 -0.9297268     69.61983 -0.9297268     69.61983 -0.9297268     69.61983 13.43145 8.765182 13.43145 8.765182 0.000000       0.000000 
1 1 1 36  0  17 o 58.39419 4.370367 442.1254       85.08054 442.1254       85.08054 442.1254       85.08054 58.39419 6.180632 58.39419 6.180632 0.000000       0.000000 
1 1 1 36  0  18 o 17.12423 7.332732 53.59160       79.30360 53.59160       79.30360 53.59160       79.30360 17.12423 10.37005 17.12423 10.37005 0.000000       0.000000 
1 1 1 36  2  0  o 84.90305 2.793898 857.9246       48.95452 844.8368       55.91528 900.8923       101.3141 83.55518 2.766017 86.25091 4.855164 -2.695724      5.587796 
1 1 1 36  2  1  o 188.0396 3.348744 4275.037       131.3106 4268.117       151.2192 4296.252       264.7614 187.7847 3.328467 188.2945 5.811855 -0.5097809     6.697489 
1 1 1 36  2  2  o 119.9675 2.821112 1765.581       70.83057 1789.108       82.02638 1696.609       140.4443 121.5870 2.788458 118.3480 4.905018 3.238960       5.642224 
1 1 1 36  2  3  o 134.0437 2.919179 2127.664       80.04734 2087.102       90.99169 2266.508       168.3472 131.3178 2.864018 136.7695 5.087615 -5.451706      5.838358 
1 1 1 36  2  4  o 186.0509 3.345534 4184.856       129.6970 4176.107       149.2915 4211.779       261.8817 185.7295 3.322399 186.3724 5.807930 -0.6428680     6.691067 
1 1 1 36  2  5  o 212.4088 3.621535 5432.815       159.7780 5398.837       183.4539 5539.560       325.1601 211.1525 3.591108 213.6652 6.290151 -2.512772      7.243069 
1 1 1 36  2  6  o 181.1816 3.309893 4054.938       127.3810 4142.167       148.9924 3817.966       245.5727 184.9569 3.329592 177.4063 5.721485 7.550629       6.619787 
1 1 1 36  2  7  o 291.0750 4.562303 10290.19       277.9323 10289.76       320.8289 10291.49       556.3838 291.3586 4.551383 290.7914 7.908436 0.5671692      9.124606 
1 1 1 36  2  8  o 264.2721 4.274815 8231.529       228.4069 8032.769       258.0959 8949.435       490.5122 257.4316 4.143973 271.1126 7.478212 -13.68094      8.549630 
1 1 1 36  2  9  o 107.5076 2.949378 1378.549       64.68069 1358.971       73.52369 1445.568       136.0320 105.9235 2.869014 109.0916 5.154035 -3.168152      5.898756 
1 1 1 36  2  10 o 87.43500 3.105555 949.5669       55.60796 968.8969       63.88266 889.1137       112.9736 89.41199 2.953146 85.45801 5.464139 3.953987       6.211110 
1 1 1 36  2  11 o 59.94179 3.613710 391.8068       44.62396 355.1517       50.18380 530.2796       97.53907 54.05966 3.836966 65.82392 6.124809 -11.76426      7.227419 
1 1 1 36  2  12 o 139.4871 3.120551 2354.261       90.08566 2335.500       103.2591 2414.039       184.3182 138.6491 3.078286 140.3251 5.429136 -1.675980      6.241103 
1 1 1 36  2  13 o 18.67225 5.758339 2.091252       40.26726 5.939758       44.80460 -14.07496      91.82917 16.12550 6.776410 21.21899 9.312042 -5.093489      11.51668 
1 1 1 36  2  14 o 17.21550 5.281394 -9.011588      41.65636 -34.59060      59.17813 16.11072       58.64745 15.50885 7.082513 18.92215 7.836486 -3.413297      10.56279 
1 1 1 36  2  15 f 17.38502 5.419204 -35.51273      48.12403 29.83459       68.07667 -100.7871      68.03866 20.95113 8.533895 13.81891 6.681596 7.132218       10.83841 
1 1 1 36  2  16 o 21.77423 6.237165 38.94109       51.01994 42.97627       74.50689 35.37839       70.00915 22.27643 8.980220 21.27203 8.658208 1.004398       12.47433 
1 1 1 36  2  17 o 42.38652 5.860747 254.4759       57.90721 280.6223       83.82331 230.6064       80.09048 44.69138 8.048455 40.08166 8.521490 4.609722       11.72149 
1 1 1 36  2  18 o 49.52015 5.516356 359.4200       63.73480 317.1150       92.08483 398.3218       88.30328 45.58782 8.665812 53.45248 6.828208 -7.864658      11.03271 
1 1 1 36  4  0  o 127.3399 2.879168 1969.294       76.32014 1975.205       87.91715 1951.220       153.7460 127.7560 2.844395 126.9238 5.006780 0.8322678      5.758335 
1 1 1 36  4  1  o 80.87930 3.015246 837.0333       49.82456 881.0918       57.69553 707.7930       98.81586 85.32607 2.794848 76.43253 5.343750 8.893539       6.030493 
1 1 1 36  4  2  o 23.53303 5.424822 63.65976       32.21365 65.26611       36.94062 58.56038       65.81773 22.88740 6.413978 24.17865 8.750751 -1.291246      10.84964 
1 1 1 36  4  3  o 152.6458 3.267029 2889.496       114.7117 3059.912       144.1192 2594.884       189.4927 158.9700 3.747180 146.3216 5.352808 12.64838       6.534058 
1 1 1 36  4  4  o 100.3221 2.907692 1231.099       60.28289 1242.500       69.31842 1195.717       122.1128 101.3175 2.827887 99.32673 5.081510 1.990746       5.815383 
1 1 1 36  4  5  o 147.7506 3.073400 2694.979       94.90733 2746.541       110.0102 2544.914       187.6781 150.6249 3.018796 144.8763 5.354439 5.748611       6.146800 
1 1 1 36  4  6  o 75.60626 3.261337 684.5914       49.26372 678.3463       55.59106 707.4360       106.3231 74.85258 3.069700 76.35995 5.755190 -1.507370      6.522673 
1 1 1 36  4  7  o 295.1062 4.653090 10423.41       281.4597 10286.98       320.7283 10880.43       587.0358 291.3066 4.550767 298.9058 8.117605 -7.599152      9.306181 
1 1 1 36  4  8  o 168.7367 3.275465 3461.645       114.9874 3469.604       132.4167 3437.240       231.8728 169.2472 3.233843 168.2262 5.697100 1.020996       6.550931 
1 1 1 36  4  9  o 73.71529 3.316418 594.3625       48.43346 551.5340       53.78593 777.9893       111.3705 67.46035 3.295473 79.97022 5.756247 -12.50987      6.632837 
1 1 1 36  4  10 o 164.9595 3.282489 3402.124       113.2967 3501.944       131.7988 3119.572       221.7433 169.9416 3.205602 159.9774 5.729141 9.964188       6.564979 
1 1 1 36  4  11 o 42.03810 5.484659 195.7520       42.97918 180.7252       47.19495 268.7686       104.0337 38.48346 5.068963 45.59274 9.727876 -7.109280      10.96932 
1 1 1 36  4  12 o 199.4536 3.621107 4728.275       145.6492 4614.286       164.4868 5142.177       313.4364 194.7278 3.491410 204.1793 6.345055 -9.451462      7.242214 
1 1 1 36  4  13 o 101.9242 3.371349 1295.205       68.14017 1310.840       77.14856 1239.738       145.3086 103.7790 3.072670 100.0693 6.001890 3.709709       6.742698 
1 1 1 36  4  14 o 26.35808 6.570484 79.03909       44.74803 78.66351       49.82070 80.60678       101.7869 24.77990 7.592956 27.93627 10.72530 -3.156370      13.14097 
1 1 1 36  4  15 f 25.85176 5.517371 89.01168       50.94656 156.0438       57.25842 -165.7347      111.6225 34.35496 7.122667 17.34856 8.428117 17.00639       11.03474 
1 1 1 36  4  16 o 40.48756 6.938402 201.3740       53.06168 185.5204       57.65059 289.2326       135.7163 37.98378 6.273405 42.99135 12.37781 -5.007572      13.87680 
1 1 1 36  4  17 o 58.91980 4.494879 459.0829       63.97223 491.3701       91.21916 427.8345       89.73975 61.10354 6.170458 56.73606 6.537675 4.367474       8.989758 
1 1 1 36  6  0  o 142.0895 2.984007 2420.129       87.84864 2397.450       100.6656 2492.564       179.9082 140.7442 2.956300 143.4348 5.184350 -2.690598      5.968014 
1 1 1 36  6  1  o 346.5560 5.273354 14475.93       379.3975 14380.31       435.5112 14776.92       772.6888 344.4976 5.225296 348.6145 9.161295 -4.116943      10.54671 
1 1 1 36  6  2  o 276.7383 4.381074 9240.892       252.1310 9196.219       289.7682 9380.131       511.5745 275.5472 4.346628 277.9294 7.608027 -2.382233      8.762148 
1 1 1 36  6  3  o 103.7071 2.970359 1358.623       63.43455 1414.183       73.45967 1195.717       125.7875 108.0918 2.809015 99.32248 5.234650 8.769302       5.940718 
1 1 1 36  6  4  o 295.8524 4.650644 10489.94       282.9102 10371.58       322.9522 10880.43       586.6005 292.5705 4.562526 299.1344 8.105388 -6.563843      9.301288 
1 1 1 36  6  5  o 140.8573 3.072024 2468.007       90.25058 2534.110       104.7246 2277.216       177.9158 144.6803 2.991829 137.0342 5.366402 7.646133       6.144047 
1 1 1 36  6  6  o 194.8368 3.508222 4583.915       141.5767 4566.138       162.4388 4640.095       288.7718 194.1728 3.457795 195.5008 6.105256 -1.328033      7.016445 
1 1 1 36  6  7  o 197.3601 3.566999 4551.127       140.6759 4423.402       158.0723 5037.478       308.4561 191.0993 3.418963 203.6210 6.261359 -12.52173      7.133997 
1 1 1 36  6  8  o 288.8871 4.884116 9973.408       314.0763 9690.146       374.1201 10649.61       578.0369 282.4294 5.475187 295.3448 8.089542 -12.91541      9.768232 
1 1 1 36  6  9  o 141.7087 3.135222 2273.839       86.62453 2169.907       96.11790 2723.379       199.9012 133.8173 2.968860 149.6002 5.523073 -15.78294      6.270444 
1 1 1 36  6  10 o 95.59957 3.244639 1081.802       59.88913 1062.634       66.64033 1162.284       136.5522 93.61610 2.942282 97.58305 5.783918 -3.966949      6.489278 
1 1 1 36  6  11 o 57.44064 5.476737 482.9634       50.13915 516.5093       55.11179 321.8322       120.7855 65.18736 3.494450 49.69392 10.38111 15.49345       10.95347 
1 1 1 36  6  12 o 94.93884 3.494841 1143.640       63.95695 1171.145       71.92572 1039.738       139.7959 98.15011 3.028943 91.72756 6.299299 6.422546       6.989682 
1 1 1 36  6  13 o 31.84823 6.040602 151.9047       46.45905 177.2422       51.30972 36.58537       109.4634 37.85796 5.601963 25.83850 10.70390 12.01945       12.08120 
1 1 1 36  6  14 o 28.06261 7.047005 74.29214       48.08512 58.93315       52.79240 149.0779       116.4930 22.44007 7.867451 33.68515 11.69377 -11.24508      14.09401 
1 1 1 36  6  15 o 59.88629 4.768245 431.3799       55.64227 413.0283       61.92754 508.2689       126.7589 57.71268 4.435171 62.05990 8.442387 -4.347221      9.536489 
1 1 1 36  6  16 o 45.77383 7.176051 294.0721       57.94271 290.0697       62.59674 318.0250       153.1338 47.75172 5.418267 43.79595 13.29004 3.955765       14.35210 
1 1 1 36  6  17 f 37.61183 8.479918 177.5285       65.38134 143.0722       70.33645 396.5497       177.3329 30.79086 8.924097 44.43280 14.42209 -13.64193      16.95984 
1 1 1 36  8  0  f 196.1873 3.511854 4681.708       143.0834 4699.079       164.6772 4628.198       289.0356 197.0150 3.454873 195.3595 6.115253 1.655426       7.023708 
1 1 1 36  8  1  o 188.4544 3.455488 4166.734       131.4635 4060.753       148.3967 4553.242       283.3929 183.1459 3.349073 193.7630 6.045271 -10.61708      6.910976 
1 1 1 36  8  2  o 253.1003 4.125092 7752.256       217.2787 7736.384       249.9718 7801.310       439.4454 252.7339 4.088135 253.4668 7.166079 -0.7328644     8.250184 
1 1 1 36  8  3  o 156.0913 3.220091 2913.087       102.0440 2880.952       115.8416 3024.390       215.5939 154.2643 3.103823 157.9184 5.642890 -3.654083      6.440181 
1 1 1 36  8  4  o 162.4301 3.286185 3351.622       113.1800 3540.017       133.5755 2872.100       213.1063 170.9906 3.228883 153.8697 5.724541 17.12082       6.572371 
1 1 1 36  8  5  o 224.1587 3.804839 6189.907       180.3990 6294.293       210.2766 5898.870       351.1106 227.9482 3.812874 220.3692 6.585530 7.578964       7.609679 
1 1 1 36  8  6  o 209.4609 3.683723 5379.433       161.2189 5436.603       186.4438 5209.994       320.9739 211.8459 3.637690 207.0759 6.406753 4.769989       7.367446 
1 1 1 36  8  7  o 280.7894 4.470197 9688.720       264.5618 9797.162       307.4008 9378.941       519.5518 284.2159 4.470482 277.3629 7.742445 6.852936       8.940394 
1 1 1 36  8  8  o 95.19943 3.325594 1130.841       62.65822 1154.404       71.00737 1047.948       133.1836 97.61073 3.006793 92.78815 5.932747 4.822578       6.651187 
1 1 1 36  8  9  o 94.14824 3.473212 1124.406       62.10015 1154.979       69.53463 1003.926       138.0331 97.61420 2.944325 90.68228 6.291562 6.931923       6.946424 
1 1 1 36  8  10 o 264.4810 4.393470 8238.940       230.7059 8001.307       258.6920 9162.403       509.9635 256.4446 4.169531 272.5174 7.734684 -16.07285      8.786941 
1 1 1 36  8  11 o 127.8041 3.440888 2144.917       87.89941 2280.077       101.2779 1732.302       176.9548 136.9910 3.055767 118.6172 6.166127 18.37385       6.881776 
1 1 1 36  8  12 o 95.79465 3.682541 1217.488       67.11354 1282.258       75.82586 983.2242       144.2065 102.6606 3.052889 88.92867 6.702559 13.73196       7.365081 
1 1 1 36  8  13 o 55.66763 4.966657 370.7885       50.17208 361.2839       54.82601 419.7502       124.4366 54.26940 4.175700 57.06585 9.013004 -2.796444      9.933313 
1 1 1 36  8  14 f 18.00254 5.697415 -10.25185      46.72615 20.73598       50.76866 -181.9155      119.4921 18.15668 7.379696 17.84839 8.682295 0.3082924      11.39483 
1 1 1 36  8  15 o 23.34378 6.684917 53.11966       51.05457 69.41834       54.98312 -48.86377      137.5365 23.44348 8.039700 23.24408 10.68250 0.1993980      13.36983 
1 1 1 36  8  16 o 20.28079 6.829886 -37.28012      56.26533 -41.79725      59.83852 -2.810232      165.2989 14.75791 6.873831 25.80367 11.80423 -11.04576      13.65977 
1 1 1 36  8  17 o 24.64645 7.811962 42.56901       64.11543 29.62594       67.98775 146.5794       192.7305 19.59050 8.295973 29.70241 13.23948 -10.11190      15.62392 
1 1 1 36  10 0  o 58.26063 3.188643 408.2572       44.77767 448.9368       66.87222 375.1931       60.28865 60.87184 4.540743 55.64942 4.477881 5.222424       6.377285 
1 1 1 36  10 1  f 80.94867 2.680976 792.7636       52.47871 763.8260       72.90167 823.8865       75.60430 79.41698 3.794214 82.48036 3.788729 -3.063377      5.361952 
1 1 1 36  10 2  o 315.2487 4.222257 12051.25       321.9086 12287.55       463.1436 11830.40       447.7421 318.2297 6.015512 312.2677 5.926504 5.962036       8.444514 
1 1 1 36  10 3  o 201.8689 3.088416 4933.079       150.7438 4804.282       208.7444 5073.447       217.9194 199.1207 4.333074 204.6172 4.402014 -5.496521      6.176833 
1 1 1 36  10 4  o 281.3079 4.517212 9536.524       261.5125 9470.223       298.9662 9752.528       539.6199 279.5320 4.420671 283.0838 7.878991 -3.551849      9.034425 
1 1 1 36  10 5  f 151.5334 3.250546 2615.444       96.61501 2505.389       107.4976 3077.930       220.3652 143.8387 3.089020 159.2281 5.720329 -15.38950      6.501092 
1 1 1 36  10 6  o 263.3608 4.292265 8559.867       238.8409 8701.656       278.2544 8162.999       465.5255 267.8822 4.293346 258.8394 7.433797 9.042755       8.584530 
1 1 1 36  10 7  o 253.0181 4.145975 8025.917       225.5416 8330.902       266.9281 7264.723       421.6985 262.0328 4.210526 244.0034 7.143382 18.02945       8.291949 
1 1 1 36  10 8  o 82.93197 3.602301 814.8224       57.20304 801.2763       63.49688 873.1708       131.7832 81.29293 3.228474 84.57101 6.440749 -3.278076      7.204602 
1 1 1 36  10 9  o 81.85695 3.968931 830.2485       58.33287 836.3227       63.98584 800.3569       141.9426 83.01976 3.185665 80.69413 7.270570 2.325630       7.937861 
1 1 1 36  10 10 o 166.0851 3.445879 3441.557       116.9404 3506.707       134.2119 3236.169       238.2988 169.8756 3.265560 162.2947 6.068974 7.580917       6.891757 
1 1 1 36  10 11 o 50.70492 6.042777 362.2785       49.25212 376.5171       53.50097 283.1648       126.1112 55.54168 3.981442 45.86816 11.41090 9.673512       12.08555 
1 1 1 36  10 12 o 21.70908 6.253961 37.33653       45.21616 57.84953       48.22443 -111.8620      130.0573 22.12609 7.529760 21.29206 9.987534 0.8340321      12.50792 
1 1 1 36  10 13 o 71.75741 4.605671 608.7266       57.54552 591.9453       62.23973 707.5551       151.0416 69.50095 3.701474 74.01387 8.434922 -4.512924      9.211342 
1 1 1 36  10 14 o 20.57329 6.404232 9.938860       50.18657 19.43177       54.94812 -37.82272      123.2516 18.48180 7.613266 22.66478 10.30024 -4.182981      12.80846 
1 1 1 36  10 15 o 36.21799 6.690121 231.9829       55.07440 257.6459       58.30143 19.22665       167.8677 45.06966 5.346783 27.36633 12.26551 17.70334       13.38024 
1 1 1 36  10 16 o 28.91855 8.227141 59.19025       59.73666 30.00176       63.40226 289.9465       178.2689 19.58101 8.131816 38.25610 14.30444 -18.67509      16.45428 
1 1 1 36  12 0  o 114.1197 2.653105 1573.239       73.15621 1487.417       100.5147 1669.907       106.6771 110.8191 3.748977 117.4204 3.755133 -6.601265      5.306209 
1 1 1 36  12 1  o 256.3594 3.620349 7966.986       224.4996 8076.652       321.4139 7862.517       313.7071 258.0782 5.147673 254.6407 5.092070 3.437561       7.240699 
1 1 1 36  12 2  o 36.24688 4.934849 170.5505       41.54733 108.0683       60.74724 225.4655       56.95000 29.38388 8.221698 43.10989 5.460276 -13.72601      9.869698 
1 1 1 36  12 3  o 193.1286 3.032784 4520.833       141.7009 4550.180       199.9443 4491.219       200.8495 193.7604 4.265222 192.4969 4.312654 1.263550       6.065567 
1 1 1 36  12 4  o 210.5275 4.484066 5374.317       228.3931 5374.317       228.3931 0.000000       0.000000 210.5275 4.484066 ?        ?        ?              ?        
1 1 1 36  12 5  o 149.6103 2.742934 2712.822       99.27048 2679.228       138.9964 2747.798       141.8257 148.6663 3.864459 150.5543 3.893674 -1.888000      5.485867 
1 1 1 36  12 6  o 343.1528 4.555245 14324.09       377.6191 13875.26       517.2778 14836.19       552.5319 337.4507 6.335943 348.8550 6.546514 -11.40439      9.110490 
1 1 1 36  12 7  o 284.8472 4.590291 9894.366       270.6194 9880.437       310.7171 9938.132       550.7454 285.1350 4.504144 284.5594 7.999735 0.5755920      9.180581 
1 1 1 36  12 8  o 79.52174 4.160141 835.0767       59.73847 870.8558       66.28494 680.3093       137.8604 84.71246 3.234188 74.33102 7.665972 10.38143       8.320283 
1 1 1 36  12 9  o 129.0292 3.428339 2023.836       85.83327 2017.262       96.02341 2049.970       191.4600 128.8820 3.079515 129.1763 6.126225 -0.2942505     6.856679 
1 1 1 36  12 10 o 118.1357 3.487052 1580.862       75.67957 1516.463       82.59377 1917.906       188.9517 111.6809 3.056795 124.5904 6.268503 -12.90958      6.974103 
1 1 1 36  12 11 o 76.29697 4.583575 718.3951       59.13006 715.9670       63.88860 732.8971       156.1382 76.62014 3.446499 75.97380 8.494604 0.6463394      9.167150 
1 1 1 36  12 12 o 22.67802 6.966476 -4.911910      46.75098 -16.25524      49.70874 81.98691       137.5845 15.08400 6.723615 30.27204 12.20328 -15.18803      13.93295 
1 1 1 36  12 13 f 80.08327 4.600441 830.2139       64.05264 838.4401       69.93436 787.3885       159.5672 82.67026 3.496544 77.49627 8.510607 5.173988       9.200883 
1 1 1 36  12 14 o 111.0497 3.895131 1509.973       81.62748 1479.826       90.32668 1644.259       190.6367 109.6400 3.405217 112.4594 7.006616 -2.819473      7.790261 
1 1 1 36  12 15 o 44.19140 8.131763 225.9000       61.21512 196.6675       64.79450 468.7686       186.7630 37.75472 7.358011 50.62808 14.50386 -12.87336      16.26353 
1 1 1 36  12 16 o 26.05156 7.299888 103.0857       62.83367 120.1555       66.05071 -59.45271      203.8174 27.89947 8.774986 24.20364 11.66846 3.695827       14.59978 
1 1 1 36  14 0  o 74.06114 3.113650 666.2704       55.56627 594.8403       78.28643 738.7917       78.88211 70.04478 4.619642 78.07749 4.175902 -8.032707      6.227299 
1 1 1 36  14 1  o 214.7761 3.252242 5590.574       168.9504 5725.488       242.2501 5462.807       235.7466 217.2968 4.607957 212.2554 4.590756 5.041351       6.504484 
1 1 1 36  14 2  o 165.8471 4.066701 3334.029       163.1746 3334.029       163.1746 0.000000       0.000000 165.8471 4.066701 ?        ?        ?              ?        
1 1 1 36  14 3  o 102.4086 2.798744 1271.401       69.33501 1268.822       97.27662 1274.063       98.85138 102.3047 3.930164 102.5126 3.985686 -0.2079620     5.597489 
1 1 1 36  14 4  o 117.7773 2.722103 1682.437       77.53588 1690.763       108.3171 1673.688       111.0381 118.0806 3.791545 117.4740 3.906860 0.6065369      5.444205 
1 1 1 36  14 5  o 95.81586 2.793880 1114.839       64.71598 1161.070       91.29496 1068.144       91.75117 97.82096 3.857559 93.81075 4.042562 4.010208       5.587760 
1 1 1 36  14 6  o 105.7218 2.716583 1356.872       69.39565 1352.257       95.67098 1361.997       100.8112 105.5417 3.746742 105.9019 3.934618 -0.3601532     5.433166 
1 1 1 36  14 7  o 43.92626 4.321894 236.7351       45.74189 211.0326       64.35593 262.9763       65.02690 41.48520 6.411994 46.36732 5.796672 -4.882122      8.643788 
1 1 1 36  14 8  o 90.50272 2.851705 998.4319       62.36973 1055.790       88.38020 941.5292       88.02910 93.11060 3.923318 87.89482 4.139622 5.215782       5.703411 
1 1 1 36  14 9  o 76.07278 4.474843 687.2260       57.03388 676.4921       61.31036 756.2166       155.4355 74.54289 3.399580 77.60266 8.278872 -3.059769      8.949686 
1 1 1 36  14 10 o 36.85059 7.063715 171.3040       49.02178 171.8337       52.24231 167.4003       141.8143 37.26091 5.795176 36.44027 12.88411 0.8206367      14.12743 
1 1 1 36  14 11 o 59.80418 6.295694 572.6978       59.15451 627.1941       65.34248 325.1636       139.2611 71.56278 3.774036 48.04557 12.01248 23.51721       12.59139 
1 1 1 36  14 12 o 46.06770 7.037154 375.1434       55.25111 405.2572       58.88845 153.7180       159.6839 57.30365 4.247619 34.83175 13.41804 22.47190       14.07431 
1 1 1 36  14 13 o 86.15198 4.497466 882.4106       67.17921 853.7576       72.57131 1054.016       177.6006 83.23196 3.603898 89.07198 8.241402 -5.840019      8.994931 
1 1 1 36  14 14 o 26.30132 7.155825 90.36412       56.06715 105.4032       59.44231 -30.89828      168.7905 27.38118 8.273735 25.22146 11.67770 2.159718       14.31165 
1 1 1 36  14 15 o 19.83764 6.771517 -21.31673      57.59809 -13.97132      60.14780 -102.4866      199.9444 16.02179 7.247049 23.65350 11.44089 -7.631708      13.54303 
1 1 1 36  16 0  o 241.1397 3.499334 7050.456       203.9420 6861.907       280.8045 7260.935       296.6853 237.7443 4.881932 244.5351 5.014787 -6.790817      6.998668 
1 1 1 36  16 1  o 121.0431 2.794251 1777.239       81.81264 1793.601       114.8856 1760.405       116.5331 121.6121 3.904688 120.4741 3.998096 1.138023       5.588502 
1 1 1 36  16 2  o 207.2359 3.201361 5212.562       160.4308 5137.104       222.7968 5293.821       231.2036 205.6878 4.477114 208.7840 4.577149 -3.096222      6.402721 
1 1 1 36  16 3  o 199.0369 3.129377 4805.806       150.5380 4678.905       207.2911 4947.415       218.9749 196.2716 4.365369 201.8022 4.485038 -5.530563      6.258755 
1 1 1 36  16 4  o 112.6665 2.772954 1542.398       75.53999 1585.189       106.0742 1498.365       107.6015 114.2622 3.837115 111.0708 4.004205 3.191452       5.545909 
1 1 1 36  16 5  o 140.9324 3.854662 2413.800       131.4315 2413.800       131.4315 0.000000       0.000000 140.9324 3.854662 ?        ?        ?              ?        
1 1 1 36  16 6  o 85.20412 2.898484 879.7831       59.56313 790.2098       81.40128 983.0135       87.38686 80.54749 4.177119 89.86075 4.019516 -9.313255      5.796968 
1 1 1 36  16 7  o 38.29002 5.298624 186.1150       48.04478 211.9567       68.07017 160.4616       67.82169 41.39367 6.797053 35.18637 8.130298 6.207298       10.59725 
1 1 1 36  16 8  o 121.5502 2.820804 1804.756       82.89819 1819.166       115.4351 1789.411       119.1234 122.0743 3.908512 121.0261 4.068326 1.048203       5.641608 
1 1 1 36  16 9  o 20.56260 5.737747 16.24748       44.62497 -26.09986      59.20094 71.97105       67.91019 16.05033 7.231245 25.07487 8.910446 -9.024534      11.47549 
1 1 1 36  16 10 o 56.07338 4.117031 399.8109       54.53346 478.6686       75.41998 313.4104       78.94461 62.20167 5.011665 49.94510 6.533221 12.25657       8.234061 
1 1 1 36  16 11 o 57.60446 6.393710 424.1718       57.99423 417.2104       62.19432 470.5533       160.5367 58.08155 4.425988 57.12737 11.99703 0.9541779      12.78742 
1 1 1 36  16 12 o 30.82801 7.572200 119.6711       53.72580 118.7631       57.32173 126.2344       154.1141 29.50117 7.881413 32.15484 12.93198 -2.653669      15.14440 
1 1 1 36  16 13 o 34.63096 7.898047 162.8132       56.73254 157.3044       60.07625 208.2094       172.4577 33.71795 7.552068 35.54397 13.87382 -1.826019      15.79609 
1 1 1 36  16 14 o 28.43803 8.259575 5.555888       60.31266 -35.37893      63.58771 372.5164       190.3866 15.35030 7.128414 41.52577 14.90195 -26.17547      16.51915 
1 1 1 36  18 0  o 47.79784 4.306110 280.2865       49.51199 251.2675       71.00639 307.7480       69.07462 45.35001 6.471690 50.24567 5.682214 -4.895657      8.612220 
1 1 1 36  18 1  o 150.3484 2.840827 2743.217       103.2082 2691.835       141.9497 2800.842       150.3272 148.8684 3.941212 151.8285 4.092437 -2.960175      5.681654 
1 1 1 36  18 2  o 60.32892 3.523031 442.4333       51.22982 498.7007       74.35681 391.5893       70.68258 63.98689 4.803164 56.67094 5.155249 7.315948       7.046061 
1 1 1 36  18 3  o 54.42603 3.822406 361.8895       50.28941 382.6135       71.78387 341.9148       70.47416 55.96633 5.301487 52.88572 5.507939 3.080605       7.644813 
1 1 1 36  18 4  o 77.93364 3.104259 738.3809       58.43670 702.2086       79.92592 779.9249       85.65517 75.89417 4.352882 79.97311 4.426977 -4.078941      6.208519 
1 1 1 36  18 5  o 79.55227 3.122609 771.8691       59.74428 890.7244       86.45173 663.2157       82.65823 85.44582 4.181967 73.65872 4.638308 11.78709       6.245218 
1 1 1 36  18 6  o 74.13057 3.244915 674.7488       58.02493 632.9824       83.45374 713.8365       80.73314 71.86165 4.800056 76.39948 4.367763 -4.537834      6.489830 
1 1 1 36  18 7  f 54.19097 5.322764 393.5294       62.75305 307.6740       103.1752 443.9372       79.05700 48.40158 9.145912 59.98037 5.447897 -11.57878      10.64553 
1 1 1 36  18 8  o 77.17291 3.432110 731.4656       63.96075 681.1367       87.48866 789.2477       93.74322 74.32858 4.865120 80.01724 4.842326 -5.688660      6.864220 
1 1 1 36  18 9  o 66.21255 3.644346 543.8694       58.30898 507.8859       81.31741 581.9514       83.65498 63.92546 5.257840 68.49964 5.047789 -4.574177      7.288693 
1 1 1 36  18 10 o 50.88669 4.515820 332.4117       54.71006 391.9016       76.68556 270.7438       78.07663 55.82933 5.677392 45.94404 7.024082 9.885296       9.031639 
1 1 1 36  18 11 o 67.81688 3.688946 579.6258       60.49857 583.0842       84.46906 575.9831       86.68994 68.06993 5.129086 67.56384 5.303372 0.5060959      7.377892 
1 1 1 36  18 12 o 23.68163 7.506240 8.483004       55.85742 -3.780979      59.09958 111.1481       170.9937 16.87168 7.435313 30.49157 13.04188 -13.61989      15.01248 
1 1 1 36  18 13 o 44.21232 7.965084 314.0813       63.73902 309.3787       67.59428 351.8144       191.4700 48.44042 5.767662 39.98423 14.84939 8.456192       15.93017 
1 1 1 36  20 0  o 197.5805 3.157373 4748.353       150.7149 5026.578       220.2943 4503.535       206.6457 202.9991 4.485459 192.1618 4.444849 10.83727       6.314747 
1 1 1 36  20 1  o 63.06178 3.567125 486.2427       54.39159 495.7059       78.54431 477.5233       75.39495 63.64289 5.101085 62.48066 4.987631 1.162231       7.134251 
1 1 1 36  20 2  o 42.16375 4.883193 219.3261       49.64648 229.5161       73.87901 210.9355       67.03968 43.02625 7.097170 41.30125 6.709134 1.724998       9.766386 
1 1 1 36  20 3  o 124.9104 2.805069 1903.797       84.73858 1973.208       120.3624 1835.582       119.3213 127.1828 3.911652 122.6381 4.021520 4.544678       5.610138 
1 1 1 36  20 4  o 57.76576 3.929842 410.9440       54.78840 417.0051       80.58096 405.7331       74.71601 58.12750 5.729919 57.40402 5.379837 0.7234802      7.859683 
1 1 1 36  20 5  o 98.17757 3.001600 1179.246       71.23273 1251.276       102.5598 1112.114       99.01048 101.0852 4.193603 95.26994 4.295591 5.815277       6.003200 
1 1 1 36  20 6  o 45.37650 5.083392 268.8095       53.02236 222.3493       79.19531 306.5543       71.38179 41.11691 8.248086 49.63609 5.944119 -8.519180      10.16678 
1 1 1 36  20 7  o 20.09621 5.881313 7.149729       48.61598 55.77456       72.27718 -33.02730      65.69935 23.66375 9.049036 16.52867 7.514941 7.135088       11.76263 
1 1 1 36  20 8  o 37.49022 5.287294 186.5862       57.82989 -16.75456      81.89960 388.7812       81.66853 19.44971 8.652741 55.53074 6.078815 -36.08103      10.57459 
1 1 1 36  20 9  o 74.25787 3.513407 684.5207       62.84663 606.7096       85.06778 778.0243       93.25208 69.60580 5.051465 78.90995 4.884549 -9.304153      7.026814 
1 1 1 36  20 10 o 58.66113 4.262630 441.3726       60.41216 427.1725       82.83646 457.5062       88.29603 57.70906 5.933012 59.61321 6.122043 -1.904148      8.525259 
1 1 1 36  20 11 o 36.56773 6.432897 202.7965       58.87411 262.8283       80.83267 134.9687       85.92124 43.19157 8.031047 29.94390 10.05141 13.24768       12.86579 
1 1 1 36  20 12 o 30.22126 7.692342 156.5860       81.23046 42.65318       134.2635 222.3676       102.0202 24.33514 10.93375 36.10738 10.82319 -11.77225      15.38468 
1 1 1 36  22 0  o 151.6427 4.064755 2811.254       149.1277 2811.254       149.1277 0.000000       0.000000 151.6427 4.064755 ?        ?        ?              ?        
1 1 1 36  22 1  o 112.9771 4.123854 1561.867       112.7187 1561.867       112.7187 0.000000       0.000000 112.9771 4.123854 ?        ?        ?              ?        
1 1 1 36  22 2  o 83.65961 3.279828 859.2156       66.35236 885.3435       95.67789 835.0067       92.09731 84.87794 4.659233 82.44128 4.617426 2.436668       6.559655 
1 1 1 36  22 3  o 42.08417 5.406224 225.9637       53.76711 255.4535       79.61891 201.2405       72.90081 44.99603 7.313743 39.17230 7.963554 5.823734       10.81245 
1 1 1 36  22 4  o 48.23638 5.119819 305.2593       56.61685 248.4849       84.26764 351.9761       76.44009 43.37126 8.333574 53.10151 5.949933 -9.730244      10.23964 
1 1 1 36  22 5  o 69.67519 3.707309 603.1272       62.34611 613.3722       91.67959 594.3132       85.03616 70.16677 5.400561 69.18361 5.080402 0.9831619      7.414618 
1 1 1 36  22 6  o 51.57718 4.505292 336.0614       56.08586 353.7232       82.85654 321.1249       76.19616 52.77987 6.488677 50.37449 6.252016 2.405380       9.010585 
1 1 1 36  22 7  o 20.38082 6.038945 7.749900       53.26930 -46.73306      76.70221 58.51210       74.03681 17.12761 7.909693 23.63403 9.127551 -6.506416      12.07789 
1 1 1 36  22 8  o 52.58923 7.667528 367.0355       97.55612 367.0355       97.55612 0.000000       0.000000 52.58923 7.667528 ?        ?        ?              ?        
1 1 1 36  22 9  o 80.42167 5.535091 902.1473       102.0208 785.2469       165.0560 974.4200       129.7807 74.43141 9.165849 86.41193 6.207749 -11.98051      11.07018 
1 1 1 36  22 10 o 45.70318 7.902124 367.3347       90.99290 257.4658       149.7474 431.6478       114.5702 36.78142 13.21437 54.62493 8.669189 -17.84351      15.80425 
1 1 1 36  24 0  o 99.40958 3.104972 1218.211       74.65689 1237.699       104.9646 1198.258       106.2080 100.2405 4.328098 98.57863 4.453198 1.661903       6.209944 
1 1 1 36  24 1  o 65.85794 3.925920 543.6451       62.21010 485.0312       88.63348 600.5576       87.33758 62.21741 5.888214 69.49848 5.194258 -7.281075      7.851839 
1 1 1 36  24 2  o 20.57106 6.178399 13.14158       53.02595 16.39655       81.61694 10.76413       69.75292 21.42801 9.082680 19.71412 8.378268 1.713892       12.35680 
1 1 1 36  24 3  o 89.91362 3.327960 994.9851       72.05670 1113.273       108.2553 900.8892       96.55289 94.65702 4.727093 85.17021 4.685709 9.486809       6.655920 
1 1 1 36  24 4  o 21.29052 6.713564 -16.63112      65.15004 19.66687       116.1029 -33.31350      78.71019 24.52991 10.62141 18.05113 8.214217 6.478777       13.42713 
1 1 1 37  1  0  o 284.4539 3.853846 9796.235       265.1093 10012.22       381.7559 9595.053       368.4410 287.4772 5.488832 281.4305 5.411213 6.046783       7.707692 
1 1 1 37  1  1  o 212.3272 3.125286 5457.433       160.5018 5380.215       223.8548 5539.125       230.2479 210.7836 4.389623 213.8708 4.449816 -3.087128      6.250572 
1 1 1 37  1  2  o 94.51939 2.480907 1080.819       56.70815 1058.892       78.79475 1104.380       81.67780 93.52605 3.482269 95.51273 3.534601 -1.986679      4.961815 
1 1 1 37  1  3  f 236.6166 3.368508 6782.389       192.8265 6843.184       274.2286 6722.934       271.1925 237.6649 4.769199 235.5683 4.758373 2.096588       6.737015 
1 1 1 37  1  4  o 138.6364 2.574888 2323.198       86.28913 2439.480       125.1196 2217.728       119.1609 141.9387 3.643528 135.3340 3.639356 6.604736       5.149777 
1 1 1 37  1  5  o 147.9140 2.642103 2642.090       94.41571 2812.691       137.8611 2491.387       129.5721 152.3981 3.739037 143.4299 3.733957 8.968185       5.284206 
1 1 1 37  1  6  o 99.67553 3.102439 1206.662       70.46029 1212.140       86.30980 1195.717       122.0014 100.0445 3.565861 99.30651 5.077909 0.7380371      6.204878 
1 1 1 37  1  7  o 251.7753 4.074232 7756.072       216.6661 7822.434       251.8222 7566.925       425.1433 254.0757 4.096647 249.4749 7.043787 4.600845       8.148463 
1 1 1 37  1  8  o 252.9084 4.119401 7697.507       215.8818 7630.146       247.4754 7911.958       441.5607 250.8878 4.077089 254.9289 7.159276 -4.041092      8.238803 
1 1 1 37  1  9  o 130.3656 2.997085 2073.873       81.37300 2085.284       93.83297 2039.262       163.4191 131.1960 2.956192 129.5353 5.214499 1.660736       5.994169 
1 1 1 37  1  10 o 89.46074 3.190348 988.5435       57.93670 1002.267       66.19441 943.6050       119.7857 90.92745 3.009013 87.99402 5.626644 2.933434       6.380696 
1 1 1 37  1  11 o 52.64848 4.061715 317.1521       43.28954 300.4716       48.66682 380.3688       94.74220 49.69780 4.047561 55.59914 7.043250 -5.901340      8.123430 
1 1 1 37  1  12 o 37.39639 4.827377 183.6702       41.43957 254.6652       58.05197 109.9071       59.17290 45.57215 5.265203 29.22063 8.092709 16.35153       9.654755 
1 1 1 37  1  13 o 21.77933 5.599679 38.01765       41.53120 -7.279071      57.13398 88.76926       60.47641 16.99792 7.405171 26.56074 8.401730 -9.562820      11.19936 
1 1 1 37  1  14 o 31.01229 5.755414 127.8362       43.98223 144.4703       61.44602 110.3596       62.98298 33.06727 7.805888 28.95732 8.459744 4.109955       11.51083 
1 1 1 37  1  15 o 81.47291 3.082998 821.2203       60.75747 832.1792       85.47079 810.0258       86.38457 82.04461 4.305914 80.90121 4.413457 1.143402       6.165995 
1 1 1 37  1  16 o 32.28795 6.238389 146.1358       53.62398 212.3867       75.76324 79.63054       75.90848 39.21906 8.246322 25.35684 9.363130 13.86222       12.47678 
1 1 1 37  1  17 o 40.85846 6.111966 243.1337       58.51122 236.7006       83.95040 249.2109       81.59459 40.12384 8.882677 41.59307 8.397770 -1.469231      12.22393 
1 1 1 37  3  0  o 289.5645 4.472927 10385.06       279.2827 10667.27       330.0054 9672.814       524.2673 296.7904 4.595881 282.3384 7.675036 14.45200       8.945854 
1 1 1 37  3  1  o 141.9698 2.967820 2497.897       89.30121 2562.919       104.4505 2321.237       172.1665 145.5200 2.966783 138.4196 5.141014 7.100433       5.935640 
1 1 1 37  3  2  o 298.9896 4.650377 10792.08       289.4011 10743.30       332.7700 10943.49       586.2735 297.8133 4.618465 300.1660 8.073029 -2.352631      9.300754 
1 1 1 37  3  3  o 260.0217 4.184443 8044.762       223.5887 7911.229       254.8315 8491.374       466.0405 255.5830 4.121153 264.4604 7.283843 -8.877457      8.368887 
1 1 1 37  3  4  o 246.6269 3.999439 7476.097       209.5447 7589.335       244.7050 7164.783       405.7379 250.3215 4.040568 242.9323 6.903321 7.389221       7.998877 
1 1 1 37  3  5  o 31.99873 5.372738 146.3835       37.23671 166.0622       42.06583 75.13385       80.04300 37.01706 4.697051 26.98039 9.664522 10.03667       10.74548 
1 1 1 37  3  6  o 58.71208 3.633746 403.8340       42.62934 393.3921       47.92215 443.4265       93.31557 56.99438 3.475377 60.42977 6.382648 -3.435387      7.267492 
1 1 1 37  3  7  o 137.8481 3.079092 2376.839       88.79832 2455.360       103.3779 2155.860       173.4243 142.4017 3.000616 133.2945 5.377688 9.107208       6.158184 
1 1 1 37  3  8  o 101.2894 3.068677 1258.958       63.93902 1272.637       73.40516 1215.943       130.1670 102.5101 2.959769 100.0686 5.376512 2.441444       6.137354 
1 1 1 37  3  9  o 146.0562 3.105193 2576.371       93.47222 2564.358       106.9871 2615.110       192.1297 145.4743 3.039785 146.6380 5.415588 -1.163681      6.210385 
1 1 1 37  3  10 o 73.73711 3.431232 653.5623       50.20993 647.6486       56.52812 675.6693       109.2944 73.07748 3.197265 74.39673 6.072142 -1.319244      6.862464 
1 1 1 37  3  11 o 38.91294 5.649728 200.1064       42.54258 206.8624       47.67633 173.7061       94.24547 41.18048 4.785299 36.64540 10.23614 4.535080       11.29946 
1 1 1 37  3  12 o 42.39606 5.639845 240.3812       44.51009 248.1698       49.69712 208.8043       100.0664 45.05335 4.559338 39.73878 10.31716 5.314568       11.27969 
1 1 1 37  3  13 o 26.36215 5.739956 98.35329       45.38887 135.0823       50.04035 -72.11184      107.8036 32.38890 6.609660 20.33539 9.386202 12.05351       11.47991 
1 1 1 37  3  14 o 91.29639 3.485006 994.2640       62.89014 968.4258       70.48277 1095.182       139.2951 89.04148 3.271811 93.55129 6.154373 -4.509811      6.970011 
1 1 1 37  3  15 o 25.24578 6.265722 75.02059       47.77402 105.2714       72.13377 51.38314       63.76321 28.17331 9.200826 22.31824 8.507754 5.855064       12.53144 
1 1 1 37  3  16 o 49.62509 4.963974 329.5156       56.94538 266.0267       81.67527 389.5728       79.43723 44.12575 7.942699 55.12444 5.956314 -10.99869      9.927948 
1 1 1 37  3  17 o 67.33124 3.954252 590.4856       64.40292 579.5620       91.19316 601.3550       90.96623 66.65591 5.654853 68.00658 5.528751 -1.350670      7.908505 
1 1 1 37  5  0  o 159.1563 3.089840 3171.528       105.3674 3302.585       124.5258 2841.166       197.7075 165.1844 3.115931 153.1283 5.336611 12.05620       6.179680 
1 1 1 37  5  1  o 198.1102 3.464520 4814.219       145.2618 4879.334       169.2092 4631.767       283.2408 200.7617 3.483700 195.4587 5.989611 5.303024       6.929041 
1 1 1 37  5  2  o 120.8214 2.949038 1767.914       72.91119 1767.890       83.27172 1767.995       150.9330 120.8573 2.847885 120.7854 5.164964 0.7186890E-01  5.898076 
1 1 1 37  5  3  o 246.7173 4.031981 7330.634       206.5806 7283.487       237.1654 7478.882       420.5529 245.2334 3.997324 248.2012 7.003490 -2.967773      8.063961 
1 1 1 37  5  4  o 329.6444 5.028132 13341.03       352.2188 13501.84       411.0907 12897.08       683.0394 333.7431 5.091234 325.5458 8.672242 8.197266       10.05626 
1 1 1 37  5  5  o 363.3601 5.516853 15911.48       414.2795 15779.47       474.4034 16335.52       850.2454 360.7059 5.436159 366.0143 9.601607 -5.308319      11.03371 
1 1 1 37  5  6  o 366.4278 5.569877 16176.29       420.7007 16028.41       481.1079 16656.75       867.1901 363.4760 5.470971 369.3795 9.703740 -5.903534      11.13975 
1 1 1 37  5  7  o 283.8267 4.504834 9755.996       265.9574 9723.354       305.8449 9857.228       538.6065 283.1900 4.463967 284.4635 7.826053 -1.273499      9.009667 
1 1 1 37  5  8  o 143.5970 3.334055 2544.523       108.3720 2627.180       132.9326 2380.726       187.1313 147.2197 3.732188 139.9744 5.525801 7.245224       6.668111 
1 1 1 37  5  9  o 169.0385 3.300531 3452.901       114.2288 3436.407       130.3633 3507.436       237.0464 168.3707 3.200269 169.7064 5.773414 -1.335785      6.601063 
1 1 1 37  5  10 o 90.91835 3.230267 965.8463       57.89151 938.3643       64.72385 1075.788       129.4560 87.96029 3.041413 93.87641 5.699852 -5.916122      6.460534 
1 1 1 37  5  11 o 21.26868 6.244937 -3.218084      40.97491 -18.68429      44.77787 76.40691       101.6006 14.19678 6.350867 28.34057 10.75469 -14.14379      12.48987 
1 1 1 37  5  12 o 47.21394 5.932377 342.1971       47.54447 373.0588       52.57922 203.8073       111.3414 55.29493 3.930307 39.13295 11.19487 16.16199       11.86475 
1 1 1 37  5  13 o 80.11264 4.044052 853.0715       60.53125 892.2170       67.90424 701.6062       133.5710 85.54546 3.280935 74.67982 7.392760 10.86563       8.088104 
1 1 1 37  5  14 o 43.53774 6.183115 326.3970       51.33187 375.1943       57.25802 126.5913       115.8624 55.19748 4.287605 31.87801 11.59914 23.31946       12.36623 
1 1 1 37  5  15 o 26.21588 6.812076 81.60997       50.50080 84.86171       56.78807 69.31588       110.4198 25.42695 8.151992 27.00481 10.91616 -1.577856      13.62415 
1 1 1 37  5  16 o 45.89668 6.858999 389.1687       61.34993 436.1495       67.34312 159.9048       148.7649 58.85994 4.729019 32.93341 12.87711 25.92653       13.71800 
1 1 1 37  5  17 o 49.48073 7.417046 267.8787       63.19124 217.7230       67.46381 626.6508       180.4348 39.27299 7.370986 59.68847 12.87318 -20.41547      14.83409 
1 1 1 37  7  0  o 271.8196 4.293129 9143.488       250.5636 9370.823       295.1438 8556.812       474.1334 278.1502 4.385832 265.4890 7.381619 12.66122       8.586258 
1 1 1 37  7  1  o 108.3648 2.942706 1412.039       66.05948 1402.613       75.74176 1441.999       135.0336 107.6478 2.908223 109.0817 5.116671 -1.433861      5.885413 
1 1 1 37  7  2  o 247.7065 4.034697 7452.549       209.3308 7464.829       241.8098 7415.825       418.1670 248.2639 4.025854 247.1492 6.993398 1.114670       8.069394 
1 1 1 37  7  3  o 144.9241 3.100871 2650.957       95.10479 2776.695       111.8332 2322.427       180.7697 151.4493 3.052118 138.3988 5.398719 13.05045       6.201741 
1 1 1 37  7  4  o 215.2149 3.733965 5525.127       164.0037 5448.439       186.4749 5787.032       344.6118 212.1065 3.633825 218.3233 6.524209 -6.216751      7.467930 
1 1 1 37  7  5  o 202.4250 3.568201 5097.864       153.7900 5250.268       180.5404 4694.825       293.5955 208.2037 3.584129 196.6463 6.171082 11.55746       7.136402 
1 1 1 37  7  6  o 70.83276 3.724970 601.7166       50.65145 597.2603       56.38530 620.3450       115.2839 70.22461 3.318748 71.44093 6.669897 -1.216316      7.449941 
1 1 1 37  7  7  o 159.5260 3.266093 3057.975       105.9469 3033.692       120.4501 3140.988       222.7043 158.2590 3.145838 160.7930 5.724783 -2.534042      6.532185 
1 1 1 37  7  8  o 78.16263 3.379138 711.6764       53.68987 687.5648       60.67424 798.6913       115.2625 75.31731 3.329716 81.00794 5.881095 -5.690628      6.758276 
1 1 1 37  7  9  o 198.5851 3.594120 4810.917       147.5476 4821.753       169.4359 4776.918       300.1329 199.3608 3.512880 197.8094 6.271399 1.551422       7.188239 
1 1 1 37  7  10 o 57.10476 4.619220 398.6711       47.30522 397.9621       51.76715 402.2606       116.4731 57.22260 3.739249 56.98692 8.447887 0.2356758      9.238441 
1 1 1 37  7  11 o 113.4369 3.325865 1594.457       74.72809 1611.099       84.51117 1534.801       160.0056 115.1552 3.033391 111.7186 5.919801 3.436523       6.651730 
1 1 1 37  7  12 o 60.56266 4.611693 481.0607       51.11913 496.4635       56.79506 415.3480       117.3103 63.79417 3.679826 57.33115 8.457526 6.463020       9.223387 
1 1 1 37  7  13 o 83.55444 3.808026 826.8542       60.33434 804.6756       66.67736 927.0673       141.7337 81.17899 3.394943 85.92989 6.817522 -4.750900      7.616051 
1 1 1 37  7  14 o 26.12938 6.618090 85.97208       48.96978 102.0949       53.37944 0.3064843      123.0431 27.72128 7.689507 24.53748 10.77348 3.183805       13.23618 
1 1 1 37  7  15 o 27.31234 6.511912 107.3032       52.45282 134.5472       57.07308 -40.82095      133.0787 31.48256 7.583209 23.14212 10.58843 8.340439       13.02382 
1 1 1 37  7  16 o 25.33450 7.588897 50.65158       57.60861 42.29626       61.63463 108.4117       162.0530 20.69928 8.227557 29.96972 12.75432 -9.270439      15.17779 
1 1 1 37  7  17 o 37.59544 5.955271 312.1028       70.20265 389.1411       75.20831 -209.5181      195.6996 54.08961 5.747113 21.10128 10.43224 32.98833       11.91054 
1 1 1 37  9  0  o 281.4783 3.846652 9603.440       261.9249 9478.560       366.9153 9733.206       374.0225 279.6146 5.423800 283.3420 5.456126 -3.727417      7.693304 
1 1 1 37  9  1  o 299.8094 4.043028 10884.50       292.9261 11232.58       426.7776 10574.45       402.7831 304.3240 5.796465 295.2949 5.637845 9.029114       8.086056 
1 1 1 37  9  2  o 217.8089 3.728246 5773.766       169.7488 5795.509       195.9980 5708.507       339.5551 218.7584 3.703263 216.8593 6.471871 1.899094       7.456492 
1 1 1 37  9  3  o 479.4593 7.099924 27832.39       703.9855 27628.53       806.7685 28483.05       1441.302 476.8875 6.992471 482.0310 12.35884 -5.143494      14.19985 
1 1 1 37  9  4  o 175.4063 3.394772 3686.576       121.0748 3650.396       137.5778 3810.827       254.9541 173.6240 3.275188 177.1886 5.947356 -3.564590      6.789544 
1 1 1 37  9  5  o 227.1097 3.865751 6384.080       185.6026 6522.505       216.5695 6001.190       360.1862 232.0202 3.858062 222.1993 6.700111 9.820831       7.731502 
1 1 1 37  9  6  o 335.3906 5.145236 13838.57       365.0559 13991.35       425.0046 13408.69       712.9070 339.5119 5.174117 331.2692 8.895074 8.242767       10.29047 
1 1 1 37  9  7  o 145.0244 3.250986 2533.932       94.76196 2518.780       107.2769 2587.745       202.1662 144.1847 3.075280 145.8640 5.728725 -1.679321      6.501972 
1 1 1 37  9  8  o 80.23470 3.568590 746.0894       54.25245 724.8564       59.86500 843.6645       128.3324 77.32303 3.200087 83.14638 6.379560 -5.823349      7.137180 
1 1 1 37  9  9  o 167.7283 3.397933 3488.182       117.1474 3545.932       134.6860 3308.745       237.4109 170.9405 3.256681 164.5162 5.964714 6.424240       6.795865 
1 1 1 37  9  10 o 66.78452 4.535883 578.9351       52.35503 593.2173       57.22223 505.5324       129.7249 69.86056 3.385560 63.70849 8.416349 6.152069       9.071767 
1 1 1 37  9  11 o 97.91740 3.509861 1204.865       66.09567 1224.888       74.12616 1127.186       146.0043 100.3653 3.052710 95.46948 6.321190 4.895844       7.019721 
1 1 1 37  9  12 o 31.77343 6.601669 46.69197       44.40134 10.21261       47.52867 296.8471       124.4620 16.90055 7.031476 46.64631 11.17526 -29.74576      13.20334 
1 1 1 37  9  13 o 59.41341 5.490530 470.0855       52.76953 476.5185       57.28370 434.0274       135.6201 62.33972 3.798078 56.48711 10.30332 5.852604       10.98106 
1 1 1 37  9  14 o 92.35968 4.112154 1175.072       70.83255 1246.923       79.90148 911.3623       153.0749 100.8538 3.274616 83.86559 7.544279 16.98817       8.224309 
1 1 1 37  9  15 o 37.65460 7.030825 237.6791       55.34653 255.0378       58.61705 95.01487       168.0439 44.82346 5.405257 30.48575 12.98126 14.33771       14.06165 
1 1 1 37  9  16 o 29.62086 7.995598 109.3049       60.33912 95.81584       64.83018 196.6687       164.9880 25.85165 8.730769 33.39008 13.39746 -7.538433      15.99120 
1 1 1 37  11 0  o 138.7746 2.660372 2332.404       89.31913 2310.046       126.0194 2354.973       126.6154 138.1059 3.771575 139.4432 3.753071 -1.337341      5.320745 
1 1 1 37  11 1  o 145.9893 2.691795 2581.523       95.07153 2574.544       134.9026 2588.410       134.0048 145.7924 3.824576 146.1862 3.788887 -0.3938141     5.383591 
1 1 1 37  11 2  o 338.0103 4.477909 13861.45       365.9670 14199.03       528.9102 13551.38       506.9020 341.9428 6.393315 334.0778 6.271539 7.865082       8.955818 
1 1 1 37  11 3  o 107.6201 2.643252 1403.082       68.82085 1390.705       97.36514 1415.439       97.28966 107.1451 3.756029 108.0951 3.720131 -0.9500351     5.286504 
1 1 1 37  11 4  o 322.9177 4.313237 12658.94       336.8225 12931.28       485.3042 12405.83       467.8529 326.2557 6.148280 319.5797 6.051010 6.676025       8.626474 
1 1 1 37  11 5  o 74.08153 3.759907 623.9866       51.64511 602.0994       56.54592 734.0869       126.8238 70.49851 3.315271 77.66454 6.749561 -7.166031      7.519814 
1 1 1 37  11 6  o 399.3037 6.108635 19072.13       492.4217 18706.51       556.9822 20380.73       1053.716 392.0943 5.871493 406.5131 10.71388 -14.41882      12.21727 
1 1 1 37  11 7  o 90.42320 3.594634 1079.150       61.95360 1140.912       70.06653 857.8228       132.6381 97.02258 2.984939 83.82382 6.540315 13.19875       7.189268 
1 1 1 37  11 8  o 96.18230 3.615911 1180.655       66.34015 1216.959       74.46807 1041.047       146.0303 100.1640 3.072954 92.20058 6.546465 7.963448       7.231822 
1 1 1 37  11 9  o 29.84810 7.096829 72.24700       43.96234 57.26265       46.97077 178.1083       124.8468 22.15391 7.431768 37.54229 12.09251 -15.38838      14.19366 
1 1 1 37  11 10 f 73.24904 4.410435 650.5151       55.96354 645.4259       60.68177 679.4765       144.7572 72.81772 3.444442 73.68037 8.120564 -0.8626480     8.820869 
1 1 1 37  11 11 o 61.99633 5.690954 506.8831       54.45480 513.0876       58.54770 467.1029       148.2473 64.82536 3.733040 59.16730 10.75231 5.658051       11.38191 
1 1 1 37  11 12 f 20.97807 6.041738 29.48407       47.86867 63.63308       50.98657 -224.3902      139.0196 22.93651 7.742705 19.01963 9.276901 3.916876       12.08348 
1 1 1 37  11 13 o 45.81450 6.679587 256.6914       52.91230 245.1320       57.05887 327.6621       141.3825 44.31213 5.322286 47.31686 12.25319 -3.004734      13.35917 
1 1 1 37  11 14 o 47.39273 7.144809 340.8198       58.20781 351.1812       62.87964 278.7626       153.8857 52.94070 4.909283 41.84476 13.41984 11.09594       14.28962 
1 1 1 37  11 15 o 31.15202 8.244398 91.37217       56.15733 69.82320       59.30813 278.1678       174.6161 23.22974 8.319294 39.07430 14.23621 -15.84456      16.48880 
1 1 1 37  11 16 o 27.38708 7.886264 101.2362       60.37846 98.80527       63.28666 125.8775       201.4924 25.67112 8.626423 29.10304 13.20445 -3.431925      15.77253 
1 1 1 37  13 0  f 191.5948 3.049518 4448.927       141.3535 4470.647       199.5468 4427.050       200.2633 192.0657 4.294302 191.1239 4.330958 0.9418030      6.099035 
1 1 1 37  13 1  o 144.5880 2.751461 2526.201       96.11891 2675.662       140.3468 2394.169       131.9104 148.6043 3.903631 140.5717 3.878636 8.032684       5.502923 
1 1 1 37  13 2  o 91.86610 2.818292 1022.529       62.62027 988.0280       87.90038 1058.083       89.23149 90.29138 4.023854 93.44083 3.947109 -3.149452      5.636583 
1 1 1 37  13 3  o 291.2126 3.982567 10289.66       280.3725 10039.12       387.3303 10565.43       406.3677 287.5061 5.568421 294.9191 5.695264 -7.413055      7.965134 
1 1 1 37  13 4  o 95.52159 2.758767 1101.194       63.59076 1035.570       86.22888 1179.437       94.15475 92.41875 3.856474 98.62444 3.945984 -6.205696      5.517534 
1 1 1 37  13 5  o 81.49611 2.839530 804.1935       55.91684 773.1890       76.76478 839.2393       81.61456 79.82876 3.974663 83.16347 4.056325 -3.334709      5.679060 
1 1 1 37  13 6  o 144.6537 2.762549 2537.892       96.57233 2494.021       132.9836 2586.842       140.4716 143.3417 3.834630 145.9658 3.977728 -2.624115      5.525098 
1 1 1 37  13 7  o 118.1370 2.690779 1695.731       76.89598 1657.671       108.4396 1734.226       109.0577 116.7992 3.837475 119.4747 3.772924 -2.675491      5.381558 
1 1 1 37  13 8  o 139.3195 3.403509 2191.131       89.76276 2091.659       98.69122 2667.460       215.9652 131.2377 3.108262 147.4012 6.055924 -16.16350      6.807019 
1 1 1 37  13 9  o 23.00071 6.941279 4.355343       45.81534 -4.362235      48.78590 69.47056       133.3330 15.94705 6.895067 30.05437 12.04921 -14.10731      13.88256 
1 1 1 37  13 10 o 33.46240 7.382414 126.6889       48.20969 122.3644       51.13998 161.2136       144.4963 30.72762 7.031259 36.19717 12.98313 -5.469551      14.76483 
1 1 1 37  13 11 o 111.3849 3.705621 1451.253       75.53590 1408.867       82.59037 1668.055       186.7877 107.4698 3.176440 115.2999 6.696025 -7.830086      7.411243 
1 1 1 37  13 12 o 30.64995 7.117348 127.2933       51.24879 137.1329       54.60180 54.47947       148.5343 32.21441 7.188214 29.08550 12.28642 3.128904       14.23470 
1 1 1 37  13 13 o 21.42256 6.622696 20.92109       50.55043 31.98747       54.19423 -53.17073      140.2282 19.45870 7.721126 23.38642 10.76219 -3.927723      13.24539 
1 1 1 37  13 14 o 20.79664 6.760024 0.5070044      52.90181 6.102691       56.08367 -44.65199      159.3243 17.24408 7.424413 24.34921 11.29911 -7.105129      13.52005 
1 1 1 37  13 15 o 31.03121 8.060436 138.9349       61.01120 133.4976       64.53745 184.6520       187.1367 29.92659 8.509911 32.13583 13.69175 -2.209242      16.12087 
1 1 1 37  15 0  o 97.46148 2.857394 1144.762       67.09996 1010.852       91.39053 1301.370       98.83323 91.30932 4.136984 103.6136 3.942610 -12.30432      5.714788 
1 1 1 37  15 1  o 136.2093 3.875525 2249.226       127.7143 2249.226       127.7143 0.000000       0.000000 136.2093 3.875525 ?        ?        ?              ?        
1 1 1 37  15 2  o 102.9288 2.750843 1285.365       68.45441 1341.370       96.84451 1229.441       96.77382 105.1761 3.805885 100.6815 3.972882 4.494545       5.501687 
1 1 1 37  15 3  o 207.5149 3.183296 5227.786       159.7924 5354.823       228.1533 5105.475       223.8688 209.9906 4.490808 205.0393 4.512884 4.951324       6.366591 
1 1 1 37  15 4  o 214.9427 3.250902 5614.163       169.0108 5560.557       235.8836 5670.714       242.2795 213.8972 4.558167 215.9881 4.636440 -2.090805      6.501804 
1 1 1 37  15 5  o 184.6375 2.991529 4143.058       133.6116 4242.964       190.7529 4046.831       187.2077 186.8243 4.220223 182.4508 4.241073 4.373550       5.983058 
1 1 1 37  15 6  o 40.69075 4.651899 206.2415       44.71990 223.6555       63.70154 189.3194       62.79518 42.71375 6.164245 38.66775 6.968697 4.046001       9.303798 
1 1 1 37  15 7  o 56.58035 3.608360 391.7215       49.30815 423.2126       70.48342 361.5380       69.00461 58.82609 4.952388 54.33460 5.249275 4.491493       7.216720 
1 1 1 37  15 8  o 47.55941 4.369167 282.1372       49.31944 218.8916       69.30206 347.0381       70.20311 41.99721 6.820612 53.12161 5.462391 -11.12440      8.738334 
1 1 1 37  15 9  o 85.25273 2.912508 889.4186       60.06507 884.1064       85.47520 894.6010       84.42423 84.99225 4.156794 85.51321 4.080671 -0.5209656     5.825016 
1 1 1 37  15 10 o 18.99705 6.398640 -47.74453      46.20284 -49.07739      48.84322 -36.40690      142.4535 12.95688 6.091422 25.03722 11.25455 -12.08034      12.79728 
1 1 1 37  15 11 o 115.9635 3.885671 1721.785       83.68590 1747.930       92.93931 1609.756       192.3864 119.5462 3.213376 112.3808 7.075873 7.165382       7.771342 
1 1 1 37  15 12 o 27.82196 7.252449 94.49068       51.89053 100.2889       55.36916 52.64724       148.7420 27.27060 7.921915 28.37331 12.15053 -1.102716      14.50490 
1 1 1 37  15 13 o 46.55011 7.068055 238.4083       57.86739 206.1249       62.09371 451.6360       159.5806 39.82273 6.444872 53.27748 12.58146 -13.45476      14.13611 
1 1 1 37  15 14 o 39.22884 7.527925 266.7158       63.18681 277.2705       67.12181 184.5330       187.2970 45.85141 6.050743 32.60627 13.78648 13.24514       15.05585 
1 1 1 37  17 0  o 152.5559 2.830477 2823.941       104.4540 2889.185       149.0721 2761.010       146.4047 154.2877 3.993584 150.8241 4.012194 3.463547       5.660955 
1 1 1 37  17 1  o 182.2607 3.017604 4035.250       133.0168 4040.933       185.7553 4029.270       190.5653 182.4026 4.209281 182.1188 4.325006 0.2837830      6.035207 
1 1 1 37  17 2  o 120.5384 2.766010 1758.601       80.52836 1656.232       110.1520 1876.123       118.0236 116.7845 3.898566 124.2922 3.924846 -7.507721      5.532020 
1 1 1 37  17 3  o 314.4313 4.268632 12082.09       324.5869 12353.76       467.4638 11829.17       451.0466 317.8180 6.079491 311.0446 5.993720 6.773407       8.537265 
1 1 1 37  17 4  o 68.92455 3.246910 577.2230       54.00450 522.1515       74.32883 638.8018       78.59763 65.44138 4.694643 72.40771 4.486651 -6.966339      6.493821 
1 1 1 37  17 5  o 186.8587 3.031955 4257.528       137.0558 4261.771       192.5625 4253.172       195.1149 186.9636 4.257085 186.7537 4.318360 0.2098846      6.063910 
1 1 1 37  17 6  o 97.58572 2.858095 1162.287       67.44867 1192.628       94.93066 1131.355       95.84962 98.88735 3.967925 96.28410 4.114656 2.603256       5.716189 
1 1 1 37  17 7  o 95.04469 3.082364 1104.886       70.79797 1033.553       98.80375 1180.161       101.4975 91.87189 4.445171 98.21751 4.271339 -6.345619      6.164729 
1 1 1 37  17 8  o 42.19552 5.277281 228.2784       52.05051 179.6049       72.15479 281.0881       75.15813 36.93599 8.279230 47.45505 6.546229 -10.51905      10.55456 
1 1 1 37  17 9  o 67.87088 3.611956 570.7925       59.24516 578.5837       82.24622 562.3896       85.41417 68.39439 4.970420 67.34737 5.242120 1.047012       7.223912 
1 1 1 37  17 10 o 60.23234 5.284339 452.7122       77.00567 452.7122       77.00567 0.000000       0.000000 60.23234 5.284339 ?        ?        ?              ?        
1 1 1 37  17 11 o 36.11131 7.638623 165.9021       53.98405 159.1667       57.51056 215.8239       156.5718 34.52199 7.122092 37.70062 13.51555 -3.178635      15.27725 
1 1 1 37  17 12 o 31.69913 7.757677 139.9747       59.19644 141.4903       63.31403 129.4468       166.8734 31.72487 8.192092 31.67339 13.17634 0.5147934E-01  15.51535 
1 1 1 37  17 13 o 42.61967 8.411396 163.9622       62.20608 115.1461       65.48513 615.1100       199.0768 27.92418 8.729962 57.31516 14.38034 -29.39098      16.82279 
1 1 1 37  19 0  o 97.07093 2.911831 1144.941       68.29680 1115.783       93.79782 1177.844       99.63914 95.76698 4.048318 98.37488 4.186427 -2.607895      5.823663 
1 1 1 37  19 1  o 40.29079 5.098149 200.5202       47.93924 265.2292       72.31216 149.7803       64.03297 46.45862 6.433433 34.12297 7.910464 12.33565       10.19630 
1 1 1 37  19 2  o 69.77232 3.346447 594.5479       56.32367 535.8937       78.68935 656.1679       80.65437 66.21799 4.911765 73.32665 4.546360 -7.108658      6.692894 
1 1 1 37  19 3  o 85.70760 3.107083 894.6145       64.27644 812.3995       88.69468 985.5494       93.27978 81.55256 4.495289 89.86263 4.290482 -8.310074      6.214166 
1 1 1 37  19 4  o 88.41281 3.008195 956.5482       64.21923 892.9550       91.19014 1019.119       90.45375 85.46017 4.410439 91.36546 4.092062 -5.905289      6.016390 
1 1 1 37  19 5  o 22.60647 5.442400 31.54975       45.97987 -76.89819      68.92588 118.5074       61.71995 15.05085 7.124553 30.16210 8.229193 -15.11125      10.88480 
1 1 1 37  19 6  o 43.76878 5.160228 244.9640       52.24580 316.1306       75.96317 181.0798       71.97172 50.41538 6.227844 37.12219 8.229568 13.29319       10.32046 
1 1 1 37  19 7  o 65.64004 3.761393 532.9296       59.45237 606.3654       86.03605 465.8173       82.24848 70.02958 5.078046 61.25049 5.550294 8.779087       7.522786 
1 1 1 37  19 8  o 67.33707 3.850431 563.8500       62.46957 496.8147       86.20186 637.9935       90.65706 63.05569 5.650541 71.61846 5.232080 -8.562771      7.700862 
1 1 1 37  19 9  o 28.65050 6.569118 109.7378       52.06145 113.4055       74.11332 106.1649       73.14819 29.03744 9.313217 28.26357 9.266997 0.7738647      13.13824 
1 1 1 37  19 10 o 22.10556 6.315561 41.54306       52.29097 34.65218       73.42232 48.63589       74.49046 21.51508 8.824328 22.69604 9.037503 -1.180958      12.63112 
1 1 1 37  19 11 o 22.07792 6.377741 38.41388       54.79895 8.843535       74.66372 72.94199       80.68037 19.51737 8.484248 24.63847 9.524697 -5.121099      12.75548 
1 1 1 37  19 12 f 23.43635 6.286695 60.68124       54.84458 122.4395       74.64664 -11.76436      80.84788 28.34267 9.364754 18.53003 8.389965 9.812639       12.57339 
1 1 1 37  21 0  o 72.74881 3.442152 654.4091       59.99274 563.5709       86.21645 739.6791       83.53229 67.73089 5.261397 77.76674 4.439746 -10.03585      6.884304 
1 1 1 37  21 1  o 24.15849 5.917880 42.99222       45.78419 126.3994       74.02328 -8.685042      58.26617 31.21598 9.186066 17.10099 7.463336 14.11499       11.83576 
1 1 1 37  21 2  o 41.57027 5.256460 222.0708       50.59710 208.0757       78.48093 232.0253       66.18925 39.89854 8.396069 43.24201 6.326729 -3.343472      10.51292 
1 1 1 37  21 3  o 136.1837 2.889061 2257.966       94.92862 2486.480       139.9470 2063.214       129.1954 142.5428 4.058035 129.8245 4.113278 12.71834       5.778123 
1 1 1 37  21 4  o 65.54472 3.749125 537.8921       58.56964 444.0428       84.22322 625.7784       81.50365 59.79132 5.822257 71.29812 4.724944 -11.50679      7.498251 
1 1 1 37  21 5  o 49.60882 4.552621 313.5735       53.71354 266.2492       79.04877 354.1667       73.21145 45.87727 7.121890 53.34037 5.673103 -7.463097      9.105242 
1 1 1 37  21 6  o 107.8711 2.930577 1433.674       76.43138 1380.466       108.4191 1486.241       107.7645 105.8387 4.234078 109.9034 4.052865 -4.064705      5.861155 
1 1 1 37  21 7  o 65.23593 3.777177 533.4239       59.37098 475.5298       83.33545 593.0960       84.60545 61.52857 5.598228 68.94330 5.072289 -7.414726      7.554355 
1 1 1 37  21 8  o 56.39441 6.533844 442.0454       83.09926 412.0166       134.8272 460.4402       105.5254 53.38291 10.81004 59.40590 7.342182 -6.022995      13.06769 
1 1 1 37  21 9  o 15.83655 5.302954 -71.55753      54.20075 -49.59507      71.27033 -101.6824      83.47006 16.06676 7.489571 15.60634 7.509434 0.4604216      10.60591 
1 1 1 37  21 10 o 74.11879 5.985013 782.7156       101.2502 727.0673       168.1042 814.3962       126.8379 70.08877 9.913518 78.14881 6.708481 -8.060043      11.97003 
1 1 1 37  21 11 o 40.94467 7.723012 314.4641       90.37907 143.7240       141.8396 431.1719       117.2681 29.17306 12.14300 52.71627 9.546059 -23.54321      15.44602 
1 1 1 37  23 0  o 99.18336 3.054412 1206.502       73.19318 1298.943       105.7037 1121.353       101.4490 102.8521 4.247903 95.51465 4.390109 7.337425       6.108825 
1 1 1 37  23 1  o 32.26583 6.269615 139.6175       50.96349 115.6351       73.42081 161.9166       70.79729 29.69313 9.237399 34.83853 8.479549 -5.145399      12.53923 
1 1 1 37  23 2  o 62.20502 3.841221 481.1681       57.79243 487.9384       82.93436 474.7771       80.57825 62.61691 5.474452 61.79314 5.389832 0.8237686      7.682442 
1 1 1 37  23 3  o 82.08257 3.298813 833.3662       65.48425 845.7064       94.19945 821.8258       91.09593 82.65229 4.710763 81.51283 4.619242 1.139458       6.597627 
1 1 1 37  23 4  o 95.63785 3.133407 1131.389       72.46789 1180.894       103.6431 1084.036       101.3650 97.70638 4.384449 93.56931 4.477674 4.137070       6.266814 
1 1 1 37  23 5  o 16.52788 5.361969 -43.91132      50.00896 -96.37028      78.72510 -8.422141      64.75172 15.39521 7.377656 17.66055 7.782867 -2.265343      10.72394 
1 1 1 37  23 6  o 25.82323 6.635333 64.21523       67.40308 -129.3278      121.0926 151.1005       81.13383 19.05546 9.136544 32.59101 9.624663 -13.53555      13.27067 
1 1 1 38  0  0  o 121.0678 2.466457 1778.079       101.9772 1778.079       101.9772 1778.079       101.9772 121.0678 3.488097 121.0678 3.488097 0.000000       0.000000 
1 1 1 38  0  1  o 294.0274 3.961192 10478.94       398.1763 10478.94       398.1763 10478.94       398.1763 294.0274 5.601972 294.0274 5.601972 0.000000       0.000000 
1 1 1 38  0  2  f 23.12164 6.570973 89.87630       50.58840 89.87630       50.58840 89.87630       50.58840 23.12164 9.292759 23.12164 9.292759 0.000000       0.000000 
1 1 1 38  0  3  o 469.7224 5.963634 26783.01       957.7533 26783.01       957.7533 26783.01       957.7533 469.7224 8.433852 469.7224 8.433852 0.000000       0.000000 
1 1 1 38  0  4  o 92.59290 2.504965 1042.163       79.09536 1042.163       79.09536 1042.163       79.09536 92.59290 3.542556 92.59290 3.542556 0.000000       0.000000 
1 1 1 38  0  5  o 10.22684 4.892321 -25.14091      50.46074 -25.14091      50.46074 -25.14091      50.46074 10.22684 6.918786 10.22684 6.918786 0.000000       0.000000 
1 1 1 38  0  6  o 118.4369 2.571755 1702.721       103.9934 1702.721       103.9934 1702.721       103.9934 118.4369 3.637011 118.4369 3.637011 0.000000       0.000000 
1 1 1 38  0  7  o 28.52897 6.647137 126.2613       57.61375 126.2613       57.61375 126.2613       57.61375 28.52897 9.400472 28.52897 9.400472 0.000000       0.000000 
1 1 1 38  0  8  o 227.5807 3.316527 6282.766       258.0000 6282.766       258.0000 6282.766       258.0000 227.5807 4.690277 227.5807 4.690277 0.000000       0.000000 
1 1 1 38  0  9  o 62.17086 4.423821 483.2838       91.91747 483.2838       91.91747 483.2838       91.91747 62.17086 6.256228 62.17086 6.256228 0.000000       0.000000 
1 1 1 38  0  10 o 132.0397 2.581142 2117.542       116.4079 2117.542       116.4079 2117.542       116.4079 132.0397 3.650286 132.0397 3.650286 0.000000       0.000000 
1 1 1 38  0  11 o 33.96587 5.731190 162.5440       57.79221 162.5440       57.79221 162.5440       57.79221 33.96587 8.105126 33.96587 8.105126 0.000000       0.000000 
1 1 1 38  0  12 o 94.66021 2.667786 1093.223       86.09254 1093.223       86.09254 1093.223       86.09254 94.66021 3.772819 94.66021 3.772819 0.000000       0.000000 
1 1 1 38  0  13 o 31.82700 6.705054 154.0164       63.55859 154.0164       63.55859 154.0164       63.55859 31.82700 9.482378 31.82700 9.482378 0.000000       0.000000 
1 1 1 38  0  14 o 62.54567 3.531689 487.6484       74.46962 487.6484       74.46962 487.6484       74.46962 62.54567 4.994562 62.54567 4.994562 0.000000       0.000000 
1 1 1 38  0  15 o 20.15995 7.545015 77.17857       69.77814 77.17857       69.77814 77.17857       69.77814 20.15995 10.67026 20.15995 10.67026 0.000000       0.000000 
1 1 1 38  0  16 o 78.23351 3.525388 765.3017       93.48762 765.3017       93.48762 765.3017       93.48762 78.23351 4.985651 78.23351 4.985651 0.000000       0.000000 
1 1 1 38  0  17 o 52.93898 5.206921 379.3103       89.09696 379.3103       89.09696 379.3103       89.09696 52.93898 7.363698 52.93898 7.363698 0.000000       0.000000 
1 1 1 38  2  0  o 310.4294 4.789074 11628.20       309.4834 11572.05       355.8578 11802.50       626.9783 309.0984 4.758580 311.7605 8.312451 -2.662170      9.578149 
1 1 1 38  2  1  o 91.47664 2.889985 1068.175       54.71484 1126.070       63.75616 906.3653       106.5873 96.46056 2.731933 86.49273 5.093584 9.967827       5.779970 
1 1 1 38  2  2  o 282.4753 4.465467 9469.731       257.4327 9296.521       292.4085 10066.63       542.8143 277.0475 4.362479 287.9030 7.792968 -10.85541      8.930934 
1 1 1 38  2  3  o 97.03854 2.773460 1044.577       55.89375 964.2155       63.24216 1331.350       119.4681 89.25194 2.928780 104.8251 4.710686 -15.57321      5.546919 
1 1 1 38  2  4  o 280.2307 4.459771 9252.671       252.7418 9035.185       285.6463 10036.88       542.4129 273.0963 4.323251 287.3652 7.801778 -14.26886      8.919542 
1 1 1 38  2  5  o 162.4116 3.159356 3138.105       105.6502 3087.036       120.5237 3307.555       219.5411 159.6813 3.119724 165.1419 5.494855 -5.460632      6.318711 
1 1 1 38  2  6  o 40.07411 4.862879 188.7446       38.95443 180.3128       44.17891 218.2035       82.57764 38.56642 4.734819 41.58180 8.495402 -3.015381      9.725759 
1 1 1 38  2  7  o 178.7165 3.330163 3941.198       125.9226 4016.545       146.8871 3732.302       244.5764 182.1050 3.333953 175.3279 5.765823 6.777145       6.660327 
1 1 1 38  2  8  o 103.7454 3.008047 1261.699       64.07254 1224.863       72.78926 1388.459       135.0273 100.5617 2.991797 106.9290 5.219438 -6.367233      6.016094 
1 1 1 38  2  9  o 181.7329 3.384974 3908.142       125.0023 3823.034       141.6244 4208.209       265.9268 177.5854 3.296312 185.8804 5.913250 -8.295013      6.769948 
1 1 1 38  2  10 o 64.08186 3.734491 513.5267       47.98513 524.3808       54.66819 477.0970       100.1538 65.73423 3.437485 62.42950 6.630942 3.304733       7.468982 
1 1 1 38  2  11 o 19.06294 5.756798 3.827239       38.80314 0.2901781      43.51397 17.56098       85.74361 15.48337 6.599681 22.64251 9.434357 -7.159146      11.51360 
1 1 1 38  2  12 o 97.56718 3.240631 1203.780       64.88755 1241.494       74.87849 1090.065       130.0212 101.0463 3.062911 94.08807 5.711858 6.958229       6.481261 
1 1 1 38  2  13 o 34.12329 6.161193 162.5666       46.05368 175.5562       51.52323 110.9459       102.7112 37.66412 5.654222 30.58246 10.94856 7.081661       12.32239 
1 1 1 38  2  14 o 106.5774 2.770463 1395.056       71.39017 1449.975       100.8544 1339.903       101.0679 108.7135 3.834504 104.4413 3.999803 4.272194       5.540925 
1 1 1 38  2  15 o 87.75036 3.143036 959.3623       66.36121 1062.093       93.26077 853.9987       94.44834 92.66538 4.159864 82.83533 4.712772 9.830048       6.286071 
1 1 1 38  2  16 o 21.77407 6.118606 31.23806       53.21512 -37.56616      78.32463 90.22962       72.52467 17.51711 8.054546 26.03103 9.212689 -8.513914      12.23721 
1 1 1 38  2  17 o 22.53429 6.184977 26.68506       56.21071 134.9660       83.06303 -64.79766      76.34864 29.40272 9.882753 15.66586 7.439554 13.73686       12.36995 
1 1 1 38  4  0  o 108.0414 2.788002 1356.142       62.22308 1306.845       70.76814 1524.093       130.6232 103.9140 2.814889 112.1687 4.813336 -8.254738      5.576003 
1 1 1 38  4  1  f 233.8331 3.878887 6475.486       185.0015 6349.955       210.0223 6910.173       390.8214 229.0081 3.790639 238.6582 6.768612 -9.650146      7.757774 
1 1 1 38  4  2  o 191.1013 3.390886 4569.146       139.4300 4756.537       165.1802 4104.700       260.0467 198.2128 3.444483 183.9899 5.841914 14.22289       6.781771 
1 1 1 38  4  3  o 398.2695 6.022545 18733.46       482.8215 18303.02       544.7857 20309.34       1042.385 388.4911 5.796186 408.0479 10.55881 -19.55679      12.04509 
1 1 1 38  4  4  o 396.9534 5.898459 19361.62       497.4194 19578.15       580.4060 18762.64       965.3309 401.7188 5.971831 392.1880 10.17372 9.530792       11.79692 
1 1 1 38  4  5  f 116.5274 3.034640 1711.590       72.86846 1777.372       84.35299 1518.144       144.6530 121.1697 2.877427 111.8851 5.343836 9.284584       6.069281 
1 1 1 38  4  6  o 27.78053 4.936578 118.7838       38.73038 163.1636       43.50680 -50.69601      85.02048 36.68223 4.902292 18.87884 8.570107 17.80339       9.873156 
1 1 1 38  4  7  o 265.0905 4.255909 8645.183       238.9126 8764.274       278.4552 8312.909       465.1164 268.8748 4.280583 261.3062 7.357150 7.568573       8.511818 
1 1 1 38  4  8  o 65.14716 3.969636 515.1130       57.28053 513.9249       68.38729 517.9060       104.8520 65.08496 4.343026 65.20934 6.646064 -0.1243820     7.939272 
1 1 1 38  4  9  o 192.7848 3.501745 4362.876       135.8963 4243.412       153.1863 4804.283       294.4554 187.0674 3.384695 198.5022 6.131289 -11.43486      7.003490 
1 1 1 38  4  10 o 19.37202 5.795096 -4.776992      38.03397 -16.75510      42.33176 45.38965       86.63230 13.90802 6.201669 24.83603 9.791418 -10.92800      11.59019 
1 1 1 38  4  11 o 51.43598 5.343657 365.9083       47.36172 385.0235       52.58411 283.7597       109.0097 56.23658 3.864856 46.63538 9.964014 9.601204       10.68731 
1 1 1 38  4  12 o 61.82500 4.297653 474.1863       49.80973 475.3502       55.24152 469.1255       115.1882 62.44365 3.656579 61.20636 7.778736 1.237297       8.595306 
1 1 1 38  4  13 o 124.3354 3.417160 1923.213       83.67808 1938.308       94.41499 1867.936       180.6714 126.1248 3.094127 122.5461 6.093793 3.578743       6.834320 
1 1 1 38  4  14 o 38.85193 6.260118 186.9796       48.53234 177.7196       54.05716 225.4610       110.1981 37.65993 5.932960 40.04393 11.02526 -2.383995      12.52024 
1 1 1 38  4  15 o 51.59341 5.415347 270.6693       53.76816 228.1128       58.59891 497.3230       135.2347 42.49123 5.700171 60.69560 9.209342 -18.20436      10.83069 
1 1 1 38  4  16 o 48.46557 7.241772 329.0082       71.87881 313.9313       81.83760 379.8929       150.3455 48.75468 6.938000 48.17647 12.71366 0.5782089      14.48354 
1 1 1 38  4  17 o 50.85145 4.996958 356.5199       60.98605 355.9958       91.76955 356.9344       81.61529 50.39933 7.526127 51.30357 6.575391 -0.9042358     9.993916 
1 1 1 38  6  0  o 373.0305 5.593382 17015.08       441.0798 17136.75       512.7142 16668.65       865.1755 375.9891 5.636347 370.0718 9.663088 5.917358       11.18676 
1 1 1 38  6  1  o 243.5081 4.004885 7080.715       200.6130 6985.584       228.9201 7395.598       416.4824 240.1764 3.939592 246.8399 6.973953 -6.663452      8.009769 
1 1 1 38  6  2  o 260.1224 4.193230 8191.888       227.4596 8177.628       261.9645 8235.574       458.5257 259.8348 4.167184 260.4099 7.277864 -0.5750427     8.386460 
1 1 1 38  6  3  f 278.5145 4.398203 9517.699       259.6588 9633.987       302.6461 9193.338       505.4544 281.9849 4.436158 275.0440 7.595871 6.940948       8.796406 
1 1 1 38  6  4  o 426.5599 6.319639 22310.10       569.4152 22469.27       661.7342 21856.04       1117.665 430.2318 6.357388 422.8880 10.92405 7.343750       12.63928 
1 1 1 38  6  5  o 288.1285 4.520006 10258.99       278.2776 10469.08       326.5175 9701.368       531.9578 293.8860 4.592247 282.3710 7.786724 11.51501       9.040011 
1 1 1 38  6  6  o 88.00695 3.137859 844.6870       54.52932 784.0830       60.48176 1107.912       126.0484 80.46694 3.106738 95.54696 5.452780 -15.08002      6.275718 
1 1 1 38  6  7  o 244.4561 4.020840 7434.895       210.2700 7647.820       247.4446 6881.619       398.8730 251.1616 4.072138 237.7506 6.934430 13.41100       8.041680 
1 1 1 38  6  8  o 273.3400 4.636006 9189.127       291.7929 9380.675       363.1160 8839.977       490.2465 277.7360 5.403944 268.9441 7.534427 8.791962       9.272012 
1 1 1 38  6  9  o 124.3161 3.073130 1918.020       78.61494 1955.956       90.49426 1801.309       158.7255 127.0265 2.944587 121.6057 5.394989 5.420822       6.146260 
1 1 1 38  6  10 o 18.34135 5.651121 3.419086       38.43326 12.20806       42.24382 -38.81023      92.59789 16.40775 6.707317 20.27497 9.096845 -3.867220      11.30224 
1 1 1 38  6  11 o 108.2058 3.299879 1420.289       70.39050 1412.354       79.14290 1450.327       153.9903 107.8132 3.034153 108.5983 5.860948 -0.7850952     6.599758 
1 1 1 38  6  12 o 31.65261 6.651956 115.1463       44.73120 106.9413       49.16820 154.5509       107.7504 28.72248 7.112881 34.58275 11.24282 -5.860266      13.30391 
1 1 1 38  6  13 o 119.6100 3.569136 1871.325       83.59348 1955.602       95.13994 1585.961       175.0685 126.6390 3.105226 112.5810 6.427480 14.05800       7.138272 
1 1 1 38  6  14 o 55.69627 6.353637 542.0771       56.25834 612.4615       62.49715 241.4039       129.1723 70.63036 3.657349 40.76217 12.16958 29.86819       12.70727 
1 1 1 38  6  15 o 60.83967 6.384243 572.6006       62.07609 608.3031       68.31388 403.4504       148.6948 70.06876 4.029788 51.61058 12.11590 18.45819       12.76849 
1 1 1 38  6  16 o 46.93769 7.158133 380.7346       61.13261 405.4130       66.47952 245.5681       155.5834 56.50166 4.863225 37.37371 13.46494 19.12795       14.31627 
1 1 1 38  6  17 o 47.15450 7.865108 402.7649       70.29694 409.9672       75.71362 357.7632       189.2569 55.54013 5.634623 38.76888 14.68641 16.77124       15.73022 
1 1 1 38  8  0  o 263.5177 4.223694 8495.659       235.1017 8574.486       273.2938 8271.268       461.1028 266.0603 4.245682 260.9752 7.302915 5.085083       8.447389 
1 1 1 38  8  1  o 497.8387 7.250550 30638.25       771.9761 31130.56       905.4449 29327.78       1477.253 506.2246 7.392928 489.4528 12.47504 16.77185       14.50110 
1 1 1 38  8  2  o 238.8211 3.942363 7074.913       201.6288 7267.564       237.2981 6574.658       382.3871 244.9483 4.004215 232.6938 6.792287 12.25452       7.884726 
1 1 1 38  8  3  o 259.9631 4.193074 8269.654       230.1453 8344.160       267.4579 8057.109       451.7398 262.4343 4.212428 257.4919 7.251410 4.942383       8.386148 
1 1 1 38  8  4  o 238.5844 3.953017 7097.173       202.4848 7337.524       239.1058 6487.805       380.7216 246.0953 4.015914 231.0735 6.810125 15.02185       7.906034 
1 1 1 38  8  5  o 270.9377 4.409035 8658.684       240.1905 8461.211       270.8858 9384.890       519.4730 264.2207 4.237573 277.6548 7.733133 -13.43411      8.818070 
1 1 1 38  8  6  o 178.9703 3.440942 3964.167       128.2926 4043.039       148.5186 3732.302       254.6458 182.6874 3.360236 175.2533 6.005760 7.434128       6.881885 
1 1 1 38  8  7  o 72.82735 3.737994 610.6248       51.83496 590.8962       57.23327 700.6544       122.2625 69.82500 3.387937 75.82970 6.664254 -6.004707      7.475988 
1 1 1 38  8  8  o 73.11680 3.822568 642.9004       52.30615 638.3967       57.79349 663.2957       122.9866 72.56107 3.292100 73.67253 6.900013 -1.111465      7.645136 
1 1 1 38  8  9  o 72.15623 4.137675 680.4932       53.81584 705.3696       59.57339 570.1368       125.4751 76.24338 3.229594 68.06908 7.619129 8.174294       8.275350 
1 1 1 38  8  10 o 34.96410 6.396467 112.7165       42.54435 89.53849       46.03731 248.3046       111.3481 26.47022 7.059139 43.45798 10.66901 -16.98776      12.79293 
1 1 1 38  8  11 o 74.06772 4.290441 769.9188       55.72871 823.5669       61.97370 543.2480       127.3878 82.28864 3.112900 65.84679 7.996336 16.44184       8.580882 
1 1 1 38  8  12 o 30.51157 6.897045 110.0761       46.46312 107.7210       50.51276 123.0220       118.4320 28.75519 7.259685 32.26796 11.72919 -3.512770      13.79409 
1 1 1 38  8  13 o 75.95882 4.314108 739.2139       58.65977 748.1519       64.47368 696.2523       141.3516 78.21382 3.407192 73.70383 7.926990 4.509995       8.628217 
1 1 1 38  8  14 o 21.22698 6.542452 -38.83671      48.90955 -66.68784      53.58928 100.0595       119.6745 12.83413 6.133294 29.61984 11.55844 -16.78571      13.08490 
1 1 1 38  8  15 o 24.57933 7.440292 11.03972       53.51616 -8.118277      57.11524 148.8400       153.1800 16.45354 7.277210 32.70512 12.97975 -16.25157      14.88058 
1 1 1 38  8  16 o 23.11880 7.407975 17.96053       61.39639 10.80792       65.60244 68.43546       174.2713 18.39541 7.974585 27.84219 12.48673 -9.446777      14.81595 
1 1 1 38  10 0  o 38.52227 4.636978 191.0072       40.65341 139.7274       60.75487 232.5829       54.70506 33.24466 7.704273 43.79989 5.162406 -10.55523      9.273956 
1 1 1 38  10 1  o 284.5706 3.888068 9820.213       267.6577 9727.988       375.2080 9915.772       381.9318 283.2135 5.475905 285.9278 5.521119 -2.714325      7.776136 
1 1 1 38  10 2  f 246.1356 3.504016 7344.648       208.6500 7292.670       293.1910 7397.985       296.9972 245.2549 4.941178 247.0163 4.969635 -1.761337      7.008032 
1 1 1 38  10 3  o 145.4911 3.273212 2593.763       96.51882 2617.336       110.0456 2515.170       200.9367 147.0241 3.093726 143.9580 5.769274 3.066177       6.546424 
1 1 1 38  10 4  o 260.8522 4.240690 8455.143       236.1573 8684.397       277.4619 7852.469       449.8679 267.6684 4.284538 254.0361 7.319599 13.63235       8.481380 
1 1 1 38  10 5  o 167.5850 3.439406 3602.063       121.3396 3834.584       143.0404 3005.354       229.1441 177.9160 3.323085 157.2540 6.022887 20.66203       6.878813 
1 1 1 38  10 6  o 77.24684 4.068031 763.3525       57.08646 784.3774       63.13488 669.1255       133.6566 80.45528 3.243490 74.03841 7.461587 6.416870       8.136062 
1 1 1 38  10 7  o 208.2076 3.679141 5395.643       161.8536 5532.041       189.0226 5020.821       313.3449 213.5499 3.658575 202.8653 6.384288 10.68459       7.358281 
1 1 1 38  10 8  o 160.2387 3.358754 3171.667       110.5368 3214.422       126.9306 3037.478       224.8701 162.7758 3.223102 157.7016 5.893771 5.074219       6.717508 
1 1 1 38  10 9  o 50.48878 5.566315 282.5046       46.00028 268.6089       49.22992 378.1083       129.1294 46.95274 4.333771 54.02482 10.25446 -7.072083      11.13263 
1 1 1 38  10 10 o 45.96388 6.293442 307.8363       47.66225 323.5673       51.63016 217.1327       123.9763 51.49185 4.144410 40.43592 11.88501 11.05593       12.58688 
1 1 1 38  10 11 o 31.98363 6.159041 149.9396       45.46235 169.5568       49.58066 46.35336       113.9317 37.06830 5.528500 26.89897 11.00776 10.16933       12.31808 
1 1 1 38  10 12 o 62.77374 4.617249 453.5310       52.33532 434.4505       56.90431 558.2391       133.3030 59.53617 3.950590 66.01131 8.346784 -6.475132      9.234498 
1 1 1 38  10 13 o 37.55286 7.080685 183.6030       50.91655 182.0688       54.60801 193.8132       140.8767 38.05738 5.930826 37.04835 12.85961 1.009029       14.16137 
1 1 1 38  10 14 o 33.60865 6.557128 179.9430       53.33270 203.4381       57.88345 47.90006       137.2218 39.97337 5.985236 27.24393 11.66879 12.72944       13.11426 
1 1 1 38  10 15 o 59.59947 6.764274 452.1865       61.52155 433.0791       65.43829 597.6205       180.5362 58.58352 4.616939 60.61542 12.71635 -2.031902      13.52855 
1 1 1 38  10 16 o 18.78923 6.311956 -24.36038      61.15721 2.465830       64.79751 -243.1886      185.0676 17.48243 7.740788 20.09604 9.972130 -2.613604      12.62391 
1 1 1 38  12 0  o 97.01657 2.753239 1137.020       64.52995 1077.268       88.45146 1205.009       94.35235 94.30000 3.876957 99.73315 3.910307 -5.433151      5.506478 
1 1 1 38  12 1  o 281.3638 3.874854 9600.881       263.6887 9784.094       378.7142 9428.480       367.3687 283.9629 5.512489 278.7647 5.447059 5.198212       7.749709 
1 1 1 38  12 2  o 140.1657 2.727603 2380.235       92.49043 2418.849       131.3991 2342.317       130.2115 141.2931 3.843874 139.0383 3.870905 2.254791       5.455206 
1 1 1 38  12 3  o 227.8029 3.339059 6291.476       183.9797 6429.065       263.9279 6161.421       256.5999 230.2223 4.738443 225.3834 4.705786 4.838882       6.678118 
1 1 1 38  12 4  f 237.4422 3.442043 6842.579       197.7249 6920.310       280.7663 6766.099       278.4979 238.7812 4.860071 236.1032 4.875484 2.677979       6.884086 
1 1 1 38  12 5  o 159.6604 2.823256 3093.038       109.0057 3114.814       152.1711 3070.087       156.2235 160.2453 3.925043 159.0755 4.059203 1.169800       5.646511 
1 1 1 38  12 6  f 166.7505 3.485763 3391.002       115.9857 3398.372       131.2138 3364.664       248.0488 167.4172 3.239493 166.0839 6.173157 1.333344       6.971527 
1 1 1 38  12 7  o 48.93502 5.302588 262.3052       45.72452 245.4447       49.58928 358.0012       118.1403 44.91139 4.563825 52.95865 9.572943 -8.047264      10.60518 
1 1 1 38  12 8  o 19.86863 5.583581 17.95757       45.27838 64.10404       48.52389 -292.8019      125.9211 23.14510 7.545718 16.59216 8.232110 6.552938       11.16716 
1 1 1 38  12 9  o 164.0509 3.533973 3220.509       114.1117 3167.091       127.9030 3428.911       252.6316 161.3722 3.276043 166.7296 6.262860 -5.357437      7.067947 
1 1 1 38  12 10 o 71.01758 4.526017 650.6047       56.17283 662.7158       61.47089 589.2921       138.3098 73.73940 3.445622 68.29575 8.370605 5.443649       9.052034 
1 1 1 38  12 11 o 64.86228 4.960765 471.1118       53.02387 451.4503       56.54494 614.3962       152.6457 60.73069 3.848427 68.99387 9.144747 -8.263184      9.921531 
1 1 1 38  12 12 o 58.92892 5.799945 435.2205       56.39287 427.4790       60.98409 480.9043       148.1445 58.88951 4.280320 58.96833 10.78129 -0.7881546E-01 11.59989 
1 1 1 38  12 13 o 61.69526 6.118196 474.0024       60.37478 460.3243       64.79727 564.0690       166.2743 60.90081 4.397758 62.48971 11.41880 -1.588898      12.23639 
1 1 1 38  12 14 o 78.54446 5.150340 785.4576       68.24654 772.8228       73.70594 861.3920       180.6921 78.87723 3.862323 78.21169 9.549160 0.6655426      10.30068 
1 1 1 38  12 15 o 17.81008 6.422603 -122.0276      58.63409 -125.8019      61.63342 -86.05592      190.2744 11.71338 5.802334 23.90678 11.46003 -12.19340      12.84521 
1 1 1 38  14 0  o 81.57887 2.966724 806.1287       58.53043 832.2950       84.19396 781.6555       81.42455 82.85882 4.199909 80.29892 4.191248 2.559898       5.933447 
1 1 1 38  14 1  o 21.00605 5.793146 29.07125       42.82637 51.90840       64.15508 10.71469       57.51827 23.29517 8.606602 18.71694 7.756839 4.578228       11.58629 
1 1 1 38  14 2  o 186.5982 3.033159 4223.253       136.9281 4267.063       194.3442 4180.067       192.9544 187.5599 4.282815 185.6365 4.296245 1.923370       6.066319 
1 1 1 38  14 3  o 63.26439 3.361696 486.2245       51.43809 496.7777       72.43689 475.4901       73.05594 63.96085 4.681049 62.56793 4.826157 1.392925       6.723393 
1 1 1 38  14 4  o 78.42590 2.931914 746.9672       55.59967 774.7694       78.57078 719.0812       78.68896 79.89359 4.064872 76.95821 4.226263 2.935371       5.863828 
1 1 1 38  14 5  o 140.9228 2.728934 2411.137       93.03345 2455.352       132.0060 2367.502       131.1366 142.2094 3.836746 139.6362 3.881714 2.573196       5.457868 
1 1 1 38  14 6  o 222.0609 3.317033 6006.083       178.1788 5960.191       249.4134 6053.914       254.6334 221.2048 4.660398 222.9170 4.721390 -1.712204      6.634066 
1 1 1 38  14 7  o 103.0363 2.777909 1292.153       69.23376 1279.344       96.73886 1305.602       99.12749 102.5176 3.900321 103.5549 3.956590 -1.037338      5.555817 
1 1 1 38  14 8  o 19.32029 5.985901 6.748503       43.79825 27.43873       46.69913 -144.4378      126.2358 18.56016 7.226450 20.08041 9.544761 -1.520250      11.97180 
1 1 1 38  14 9  o 29.28650 7.335537 93.59399       49.73437 93.89662       53.17730 91.48126       140.5032 26.99756 7.740775 31.57544 12.46278 -4.577881      14.67107 
1 1 1 38  14 10 o 49.52332 7.016895 388.5431       52.00490 407.7336       55.22661 238.3105       154.5211 57.69682 3.956346 41.34982 13.46457 16.34700       14.03379 
1 1 1 38  14 11 o 51.62009 7.172259 434.9579       56.35636 459.2149       60.15060 260.6782       161.2294 61.10105 4.069012 42.13913 13.75530 18.96192       14.34452 
1 1 1 38  14 12 o 95.76097 4.296889 1217.305       73.44090 1248.116       81.02394 1075.431       173.8661 100.8572 3.320506 90.66476 7.926365 10.19242       8.593778 
1 1 1 38  14 13 f 37.06821 7.269203 206.9002       57.05591 214.2036       61.30852 159.6669       155.9133 40.76379 6.216473 33.37264 13.14232 7.391148       14.53841 
1 1 1 38  14 14 f 60.83293 7.427083 589.4460       65.25755 600.2759       69.68846 512.3141       185.9796 69.05762 4.171065 52.60823 14.25653 16.44939       14.85417 
1 1 1 38  14 15 o 17.41931 6.004438 -51.79062      61.21870 -18.89446      64.16325 -385.7228      204.4292 15.97890 7.326124 18.85972 9.515304 -2.880816      12.00888 
1 1 1 38  16 0  o 144.2813 2.788804 2509.936       97.02679 2333.388       130.9094 2725.142       144.5332 138.6905 3.901411 149.8722 3.986063 -11.18167      5.577608 
1 1 1 38  16 1  o 21.93587 5.783166 31.97055       44.22687 82.34248       64.64485 -12.35284      60.63958 26.45884 8.713493 17.41290 7.606254 9.045935       11.56633 
1 1 1 38  16 2  o 79.92334 3.061529 779.9327       58.78613 881.7327       82.89259 676.9274       83.38186 85.22016 4.020416 74.62651 4.618236 10.59365       6.123059 
1 1 1 38  16 3  o 112.2283 2.756878 1527.924       74.79213 1490.210       103.2384 1569.582       108.5019 110.7777 3.852001 113.6789 3.945073 -2.901215      5.513757 
1 1 1 38  16 4  o 40.62850 5.034355 216.5448       46.29853 115.7549       65.31916 318.3087       65.63400 30.18635 8.553476 51.07065 5.311965 -20.88431      10.06871 
1 1 1 38  16 5  o 88.79028 2.878276 959.9479       61.81904 970.4919       86.92423 949.1572       87.93519 89.29015 4.023787 88.29041 4.116677 0.9997406      5.756553 
1 1 1 38  16 6  o 68.29419 3.231806 570.6201       53.31260 538.2573       75.84460 602.2274       74.95408 66.35439 4.724466 70.23398 4.411088 -3.879585      6.463611 
1 1 1 38  16 7  o 51.19000 6.783370 394.9583       65.31624 437.5035       74.08769 246.5199       138.3866 59.68905 5.130374 42.69096 12.55929 16.99810       13.56674 
1 1 1 38  16 8  o 143.2794 2.874979 2504.124       99.48596 2387.365       135.8692 2639.078       146.0731 139.7078 4.019742 146.8510 4.111411 -7.143280      5.749959 
1 1 1 38  16 9  o 59.57566 3.747083 439.8866       53.95007 450.1249       75.16215 429.0058       77.48468 60.32970 5.149508 58.82163 5.444731 1.508068       7.494166 
1 1 1 38  16 10 o 36.78236 7.334877 175.1389       51.79999 175.0485       55.00433 175.8477       154.0148 37.31929 6.092019 36.24542 13.34500 1.073868       14.66975 
1 1 1 38  16 11 o 52.46846 6.887261 425.7537       59.43803 447.3733       64.74313 309.8156       149.9282 60.03197 4.457679 44.90494 13.03329 15.12704       13.77452 
1 1 1 38  16 12 o 18.45432 6.365336 -91.47143      53.34830 -104.0221      57.26900 -9.110054      146.7058 11.90383 5.837353 25.00481 11.31350 -13.10098      12.73067 
1 1 1 38  16 13 f 28.52694 7.279790 125.0831       60.13554 142.8189       63.56844 -25.94884      185.5027 31.42081 8.255031 25.63307 11.99316 5.787739       14.55958 
1 1 1 38  16 14 o 29.41706 7.152431 158.8009       64.61668 181.5497       67.82283 -64.88995      212.6769 34.67415 8.211478 24.15997 11.71327 10.51419       14.30486 
1 1 1 38  18 0  o 70.21924 3.287255 600.6942       55.80151 577.8499       79.33478 623.0617       78.50233 68.88625 4.760239 71.55224 4.534789 -2.665993      6.574510 
1 1 1 38  18 1  o 65.93838 3.417277 529.8318       54.50757 542.7018       77.64901 517.3288       76.53378 66.73001 4.809638 65.14674 4.855771 1.583267       6.834554 
1 1 1 38  18 2  o 155.5296 2.851955 2943.794       107.3049 2954.268       150.9107 2933.083       152.6077 155.8163 4.003177 155.2429 4.063146 0.5733948      5.703909 
1 1 1 38  18 3  o 50.08412 4.158085 309.4365       49.93561 261.7686       70.42979 357.6219       70.81099 46.13081 6.310488 54.03743 5.416312 -7.906620      8.316171 
1 1 1 38  18 4  o 92.35938 2.895357 1040.792       64.67039 1067.421       91.04797 1013.677       91.87312 93.56538 4.022099 91.15338 4.165943 2.411995       5.790713 
1 1 1 38  18 5  o 133.3506 3.910868 2169.857       126.1742 2169.857       126.1742 0.000000       0.000000 133.3506 3.910868 ?        ?        ?              ?        
1 1 1 38  18 6  o 29.77938 6.034788 111.5543       47.67055 161.3367       69.47944 67.27500       65.52673 35.06445 8.316004 24.49431 8.747499 10.57014       12.06958 
1 1 1 38  18 7  o 134.6823 2.922803 2223.006       95.21423 2242.990       136.4392 2204.035       132.9356 135.2568 4.169442 134.1078 4.097178 1.148911       5.845606 
1 1 1 38  18 8  o 48.02260 5.065969 293.9899       58.49205 316.7233       80.76810 268.9176       84.82114 50.13595 6.658683 45.90925 7.636628 4.226704       10.13194 
1 1 1 38  18 9  o 43.67428 5.062865 247.2690       52.12071 221.2427       72.89413 274.4937       74.55351 40.86887 7.653478 46.47969 6.629833 -5.610817      10.12573 
1 1 1 38  18 10 o 35.50493 6.342360 175.7407       54.49878 174.8410       77.04833 176.6416       77.09752 35.40854 8.980567 35.60132 8.958323 -0.1927834     12.68472 
1 1 1 38  18 11 o 18.37957 5.684752 -1.631592      48.44630 -20.61913      68.09214 17.83322       68.94261 17.11619 7.729281 19.64294 8.338096 -2.526754      11.36950 
1 1 1 38  18 12 o 39.39412 7.927357 230.6926       62.54034 223.5025       66.67858 283.2838       180.3330 40.83216 6.749657 37.95609 14.34622 2.876076       15.85471 
1 1 1 38  18 13 o 65.97147 7.982461 788.9407       77.18964 815.8019       83.17671 622.2487       207.2034 79.75201 4.310799 52.19091 15.37191 27.56110       15.96492 
1 1 1 38  20 0  o 103.2328 2.929337 1300.013       73.14559 1264.250       103.1852 1336.137       103.7038 101.7959 4.189717 104.6698 4.095160 -2.873909      5.858674 
1 1 1 38  20 1  o 64.53915 3.550002 512.1621       55.23914 482.4450       79.91357 539.3533       76.44190 62.69803 5.268225 66.38026 4.759817 -3.682232      7.100003 
1 1 1 38  20 2  o 75.79744 3.220251 707.6731       58.61401 656.3865       86.29363 751.6025       79.86461 73.16694 4.874854 78.42794 4.209023 -5.261002      6.440502 
1 1 1 38  20 3  o 35.89145 5.621045 170.6340       48.35206 127.5055       73.38549 203.7203       64.27657 31.28975 9.128969 40.49314 6.560984 -9.203388      11.24209 
1 1 1 38  20 4  o 86.36488 3.144959 915.8642       65.42517 809.8696       91.64716 1026.020       93.42890 81.20399 4.664867 91.52578 4.219253 -10.32178      6.289918 
1 1 1 38  20 5  f 15.62984 5.109407 -75.77397      46.74652 -1.602640      71.26723 -131.7844      61.93076 19.28323 8.335608 11.97646 5.911159 7.306774       10.21881 
1 1 1 38  20 6  o 99.61691 3.018099 1220.005       72.69508 1281.187       104.1482 1161.878       101.5151 102.0705 4.217443 97.16335 4.318431 4.907104       6.036197 
1 1 1 38  20 7  f 31.85112 6.029748 137.5250       51.39989 64.80032       74.31536 204.2194       71.16761 24.47719 9.219354 39.22504 7.773992 -14.74785      12.05950 
1 1 1 38  20 8  o 31.89929 7.965963 117.0586       74.68188 214.8721       129.8061 68.66151       91.30727 38.07119 12.33741 25.72739 10.08040 12.34379       15.93193 
1 1 1 38  20 9  o 25.93475 6.715333 82.52811       55.45507 61.42282       76.10240 106.4224       80.97479 23.81390 9.238080 28.05561 9.748878 -4.241707      13.43067 
1 1 1 38  20 10 o 45.70458 5.473087 282.8831       58.88963 245.0869       79.20593 329.6030       88.06114 41.83194 8.118951 49.57721 7.341754 -7.745270      10.94617 
1 1 1 38  20 11 o 38.67167 8.347875 239.8369       83.37666 356.5735       141.1494 177.2754       103.3306 44.71368 12.54009 32.62966 11.02244 12.08402       16.69575 
1 1 1 38  22 0  o 95.61706 4.323214 1120.942       100.0102 1120.942       100.0102 0.000000       0.000000 95.61706 4.323214 ?        ?        ?              ?        
1 1 1 38  22 1  o 80.48625 3.372770 790.0926       65.10410 951.6790       96.76589 656.4578       87.99938 88.00056 4.545007 72.97195 4.984497 15.02860       6.745539 
1 1 1 38  22 2  o 84.20510 3.250524 872.6850       66.20595 879.0626       94.77343 866.6063       92.52573 84.49303 4.636213 83.91717 4.557318 0.5758667      6.501048 
1 1 1 38  22 3  o 84.55215 3.295135 882.6326       67.34362 840.7432       95.33598 924.3506       95.14085 82.50687 4.776001 86.59743 4.541086 -4.090569      6.590269 
1 1 1 38  22 4  o 96.05891 3.184762 1139.423       74.00693 1116.803       104.1645 1162.481       105.1659 95.08579 4.527951 97.03204 4.479788 -1.946251      6.369525 
1 1 1 38  22 5  o 59.37861 4.214818 454.6952       58.93309 359.9292       86.65969 536.2285       80.38187 53.15438 6.738695 65.60284 5.064461 -12.44846      8.429637 
1 1 1 38  22 6  o 34.50740 6.149350 160.1486       50.89727 195.3425       79.48762 135.6913       66.26293 37.58072 8.882810 31.43408 8.506099 6.146639       12.29870 
1 1 1 38  22 7  o 36.23067 7.755618 197.5971       72.38924 174.3010       128.4182 208.4474       87.64040 34.28350 12.24557 38.17784 9.520738 -3.894337      15.51124 
1 1 1 38  22 8  o 37.32408 8.080346 222.6000       79.24590 195.4789       137.2297 236.1689       97.06596 34.88484 12.63411 39.76331 10.07706 -4.878471      16.16069 
1 1 1 38  24 0  o 66.06042 3.807552 543.1813       60.73441 569.0299       89.36659 520.9957       82.79249 67.48267 5.473696 64.63817 5.294190 2.844498       7.615103 
1 1 1 38  24 1  o 25.31645 6.463310 64.89029       53.67464 123.1854       79.57636 16.23039       72.70322 30.23091 9.645563 20.40199 8.605848 9.828928       12.92662 
1 1 1 38  24 2  o 32.69690 6.612540 157.1445       68.36423 -31.36229      120.8740 245.8061       82.89671 22.71523 10.27418 42.67856 8.327304 -19.96333      13.22508 
1 1 1 39  1  0  o 219.0648 3.186388 5811.622       168.8702 5869.151       240.2383 5755.432       237.4236 220.1361 4.510748 217.9936 4.501714 2.142578       6.372777 
1 1 1 39  1  1  o 222.5213 3.228014 5986.343       173.5581 5784.740       238.1649 6214.641       253.4432 218.5378 4.504525 226.5049 4.624884 -7.967087      6.456028 
1 1 1 39  1  2  o 214.3454 3.153198 5539.940       163.0625 5903.624       241.9184 5237.134       220.7439 220.7580 4.529498 207.9327 4.387970 12.82529       6.306396 
1 1 1 39  1  3  o 482.1139 6.117064 28255.58       713.1328 28830.98       1028.667 27723.14       989.5167 486.8105 8.733982 477.4173 8.566880 9.393280       12.23413 
1 1 1 39  1  4  o 83.13470 2.673186 836.7207       53.74391 827.0476       74.75028 847.0719       77.32587 82.63854 3.738762 83.63085 3.821694 -0.9923096     5.346372 
1 1 1 39  1  5  o 180.8285 2.865462 3961.120       125.3574 3983.204       178.1516 3939.462       176.4253 181.3271 4.060921 180.3299 4.043812 0.9972382      5.730925 
1 1 1 39  1  6  o 269.5552 4.339843 8572.914       236.7327 8375.355       267.6636 9282.570       507.3006 262.8942 4.208294 276.2163 7.591258 -13.32211      8.679686 
1 1 1 39  1  7  o 138.9521 3.055235 2347.149       88.41933 2353.299       101.8800 2328.376       177.9854 139.4010 3.020791 138.5032 5.311560 0.8977814      6.110471 
1 1 1 39  1  8  o 141.3151 3.087234 2426.872       90.69040 2430.652       104.3774 2415.229       183.1979 141.6479 3.045750 140.9823 5.370983 0.6656189      6.174468 
1 1 1 39  1  9  o 51.58776 3.850358 281.8633       42.22499 242.6211       47.95555 417.2516       89.07449 44.69114 4.435220 58.48439 6.295224 -13.79325      7.700716 
1 1 1 39  1  10 o 129.7242 2.989640 2009.796       79.97769 1976.995       91.31960 2117.787       165.6970 127.6714 2.956432 131.7770 5.197239 -4.105553      5.979280 
1 1 1 39  1  11 o 104.3725 3.106258 1321.873       66.32332 1315.772       75.68494 1342.058       137.6713 104.0880 3.005429 104.6571 5.437165 -0.5690689     6.212516 
1 1 1 39  1  12 o 62.15006 3.245791 472.8975       48.78518 492.1416       69.62930 454.3416       68.37317 63.39999 4.539422 60.90013 4.640505 2.499863       6.491582 
1 1 1 39  1  13 o 81.37553 2.931648 811.1158       57.69757 785.0065       80.45773 838.7576       82.78543 80.02581 4.155616 82.72526 4.136314 -2.699448      5.863296 
1 1 1 39  1  14 o 50.07039 4.095307 313.8631       49.55867 296.3036       69.75655 331.7589       70.42126 48.61519 5.930763 51.52558 5.649090 -2.910389      8.190615 
1 1 1 39  1  15 o 55.91209 3.992436 398.2828       53.22876 471.2267       75.12622 324.7510       75.42835 61.33104 5.063012 50.49315 6.174471 10.83789       7.984872 
1 1 1 39  1  16 o 20.72610 6.148990 19.46945       54.18496 -24.01244      77.16578 61.76241       76.10349 17.95729 8.156720 23.49492 9.203708 -5.537630      12.29798 
1 1 1 39  1  17 o 84.61569 3.532594 928.3674       72.26553 941.5934       100.8362 914.4015       103.6184 85.36199 4.882583 83.86938 5.106590 1.492607       7.065187 
1 1 1 39  3  0  o 241.0037 3.900112 7185.934       202.0459 7368.476       238.1766 6717.430       381.5707 246.6834 3.990770 235.3240 6.702032 11.35947       7.800223 
1 1 1 39  3  1  o 160.8864 3.124894 3249.946       107.9397 3398.086       127.8756 2882.808       201.3100 167.5477 3.154618 154.2251 5.395205 13.32259       6.249788 
1 1 1 39  3  2  o 155.1073 3.080626 2857.062       98.27869 2807.323       112.0281 3023.200       204.7468 152.2885 3.040588 157.9261 5.358718 -5.637589      6.161252 
1 1 1 39  3  3  o 442.1256 6.521783 23918.75       608.4036 24044.36       706.2776 23557.41       1197.907 445.0965 6.558719 439.1548 11.27465 5.941681       13.04357 
1 1 1 39  3  4  o 365.6506 5.499500 16360.20       424.7262 16472.93       493.4746 16038.07       834.2069 368.5491 5.534357 362.7522 9.505204 5.796906       10.99900 
1 1 1 39  3  5  o 177.2572 3.314951 3789.583       121.6449 3772.009       139.5078 3845.330       248.4674 176.4965 3.267083 178.0179 5.769037 -1.521439      6.629903 
1 1 1 39  3  6  o 21.23333 5.846612 31.22124       35.56738 27.48923       39.51200 47.16240       81.66161 17.77269 6.715827 24.69396 9.572312 -6.921270      11.69322 
1 1 1 39  3  7  o 266.8292 4.310043 8505.502       235.4035 8379.766       267.9799 8930.398       492.6220 262.9055 4.213086 270.7528 7.520359 -7.847382      8.620087 
1 1 1 39  3  8  o 94.64442 3.333011 1101.139       70.90549 1125.346       86.18757 1050.446       124.7254 96.34115 3.697690 92.94769 5.546434 3.393456       6.666022 
1 1 1 39  3  9  o 97.75938 3.155881 1186.838       61.75673 1207.712       70.22900 1115.646       129.6992 99.82307 2.907925 95.69571 5.601992 4.127357       6.311762 
1 1 1 39  3  10 o 154.1674 3.192899 2883.537       101.1618 2874.230       115.7025 2913.742       208.4364 153.9050 3.107331 154.4298 5.578791 -0.5248108     6.385798 
1 1 1 39  3  11 o 75.48782 3.794916 746.6718       54.99194 782.4365       62.18978 618.4414       117.7570 80.23637 3.203653 70.73927 6.880564 9.497101       7.589832 
1 1 1 39  3  12 f 28.17195 6.482281 72.27305       43.35479 49.80328       48.47784 162.0464       96.89864 21.23434 7.530262 35.10955 10.55344 -13.87521      12.96456 
1 1 1 39  3  13 o 24.94703 5.874907 81.49557       45.10321 113.3365       49.99394 -57.77514      104.5573 29.45792 7.098471 20.43614 9.363219 9.021772       11.74981 
1 1 1 39  3  14 o 60.79241 4.754642 499.0726       54.04994 520.2757       60.68670 417.7275       118.8665 65.06520 3.855160 56.51962 8.692768 8.545578       9.509284 
1 1 1 39  3  15 o 20.94033 5.871279 22.80155       48.79463 -38.35878      69.99821 80.61310       68.05488 16.61202 7.629504 25.26863 8.926273 -8.656610      11.74256 
1 1 1 39  3  16 o 39.37618 5.637911 219.9659       55.46312 84.30902       76.29052 372.0392       80.77483 25.36605 9.382653 53.38631 6.253797 -28.02026      11.27582 
1 1 1 39  3  17 o 32.69573 6.385080 163.3339       58.88588 267.4812       85.33272 68.65023       81.36342 42.12295 8.662498 23.26851 9.382862 18.85443       12.77016 
1 1 1 39  5  0  o 252.1786 4.040010 7940.005       221.3203 8259.774       263.6936 7177.871       407.0968 261.1536 4.173508 243.2037 6.918712 17.94997       8.080021 
1 1 1 39  5  1  o 176.9236 3.271359 3926.113       124.5047 4100.879       147.6256 3495.538       231.7163 184.0491 3.315321 169.7981 5.640549 14.25093       6.542717 
1 1 1 39  5  2  o 206.6385 3.577241 5121.055       152.9941 5071.447       175.2256 5280.190       313.8381 204.6563 3.538916 208.6207 6.217933 -3.964355      7.154482 
1 1 1 39  5  3  o 337.1192 5.164676 13755.79       362.0058 13706.70       416.1795 13908.39       733.7704 336.2570 5.115723 337.9814 8.973566 -1.724396      10.32935 
1 1 1 39  5  4  o 404.6306 5.954106 20439.97       524.9927 21163.03       626.0623 18726.95       963.6346 417.5672 6.197106 391.6940 10.16865 25.87317       11.90821 
1 1 1 39  5  5  o 208.6958 3.638563 5423.767       162.0029 5593.749       190.4714 4979.179       308.0396 214.8981 3.663487 202.4935 6.287720 12.40462       7.277126 
1 1 1 39  5  6  o 102.3256 3.014037 1181.418       61.55681 1120.086       68.79530 1427.722       137.8642 96.17863 2.956501 108.4726 5.253264 -12.29398      6.028074 
1 1 1 39  5  7  o 360.3173 5.399417 16286.26       424.4524 16943.66       507.3577 14753.12       774.7977 373.4427 5.615494 347.1919 9.223940 26.25082       10.79883 
1 1 1 39  5  8  o 48.99625 4.691389 270.1383       51.91989 234.5309       61.58397 357.6443       96.54190 43.89357 5.799152 54.09894 7.376066 -10.20537      9.382777 
1 1 1 39  5  9  o 65.38049 3.694287 487.5705       46.63817 467.4053       51.63359 576.9185       108.6860 62.06825 3.438432 68.69272 6.539741 -6.624470      7.388574 
1 1 1 39  5  10 o 77.58654 3.471212 726.5475       53.49903 720.6061       60.27604 748.6021       116.1310 77.03634 3.234050 78.13674 6.143140 -1.100403      6.942424 
1 1 1 39  5  11 o 105.7176 3.273730 1335.154       68.56911 1312.471       77.02580 1421.773       150.5191 103.9184 3.063665 107.5167 5.786466 -3.598251      6.547460 
1 1 1 39  5  12 o 67.85681 4.165336 569.0762       52.92518 568.7808       58.63636 570.3748       122.9445 68.28939 3.549045 67.42423 7.536869 0.8651581      8.330672 
1 1 1 39  5  13 o 64.68755 4.332486 448.1762       51.46758 413.0999       55.82580 646.8769       132.8703 58.04434 3.975327 71.33076 7.699254 -13.28642      8.664971 
1 1 1 39  5  14 o 34.11687 6.691476 142.9550       47.62821 132.2747       52.70880 190.4819       111.1885 31.60893 7.069516 36.62482 11.36333 -5.015894      13.38295 
1 1 1 39  5  15 o 38.43724 7.174757 147.3593       55.01688 105.9103       60.06948 363.1172       137.0503 27.79637 8.298897 49.07811 11.70628 -21.28175      14.34951 
1 1 1 39  5  16 o 41.34798 7.372779 275.7324       61.02844 283.5444       66.00872 229.7442       160.1553 46.69999 5.842278 35.99596 13.53881 10.70402       14.74556 
1 1 1 39  5  17 o 23.23814 7.692570 -27.68127      77.27358 -71.78481      84.81551 187.7454       187.4512 16.05227 7.683332 30.42401 13.32925 -14.37174      15.38514 
1 1 1 39  7  0  o 251.0172 4.076889 7757.072       217.3262 7888.397       253.8631 7396.788       420.4829 255.2049 4.111574 246.8294 7.041240 8.375504       8.153778 
1 1 1 39  7  1  o 95.90618 3.276350 1188.639       62.78520 1254.274       72.10657 982.8674       127.6731 101.7927 2.927897 90.01964 5.862192 11.77309       6.552700 
1 1 1 39  7  2  o 393.2481 5.942315 18468.20       476.7342 18177.47       541.8373 19464.61       1003.110 387.1144 5.785318 399.3818 10.38145 -12.26746      11.88463 
1 1 1 39  7  3  o 268.1362 4.293787 8833.374       243.9502 8953.131       284.3781 8499.703       474.6846 271.8309 4.324092 264.4415 7.419477 7.389404       8.587573 
1 1 1 39  7  4  o 362.7506 5.470403 16182.24       421.3363 16376.16       491.5862 15645.45       817.8780 367.3958 5.530484 358.1054 9.440073 9.290436       10.94081 
1 1 1 39  7  5  o 354.7979 5.443444 15103.84       395.8270 14913.47       451.1327 15740.63       825.0750 350.5909 5.318649 359.0049 9.499280 -8.414001      10.88689 
1 1 1 39  7  6  o 346.0814 5.263504 14777.50       387.4176 14990.95       452.7578 14193.93       748.6345 351.3974 5.325558 340.7655 9.080545 10.63193       10.52701 
1 1 1 39  7  7  o 90.99083 3.433048 1042.822       60.58133 1069.720       68.25795 943.0101       131.4870 93.96692 3.002451 88.01475 6.174833 5.952171       6.866096 
1 1 1 39  7  8  o 162.2085 3.313740 3220.028       110.2792 3239.868       126.3210 3156.455       226.1182 163.4729 3.193946 160.9442 5.807083 2.528748       6.627481 
1 1 1 39  7  9  o 20.83964 5.479480 39.08839       40.81506 74.53435       44.05217 -175.8477      108.4772 24.38283 7.061227 17.29645 8.380804 7.086378       10.95896 
1 1 1 39  7  10 o 26.84637 6.024895 97.65681       42.51452 118.1075       46.25569 -13.64664      107.9109 30.41942 6.483316 23.27333 10.15697 7.146097       12.04979 
1 1 1 39  7  11 o 90.48454 3.503076 1029.151       60.55392 1045.861       67.75933 962.8793       134.9418 92.74349 3.019836 88.22559 6.321928 4.517899       7.006153 
1 1 1 39  7  12 o 130.0478 3.307589 2090.227       85.61977 2099.520       96.88948 2057.109       182.9160 131.2977 3.050123 128.7979 5.870037 2.499802       6.615179 
1 1 1 39  7  13 o 96.88400 3.620773 1164.682       66.81572 1165.202       74.43665 1162.522       151.5876 97.67974 3.149779 96.08826 6.520651 1.591476       7.241546 
1 1 1 39  7  14 o 40.73405 6.597869 225.8885       53.56181 226.0484       59.65076 225.2231       121.6893 42.32323 5.825523 39.14488 11.84022 3.178345       13.19574 
1 1 1 39  7  15 f 54.67693 6.613059 361.5240       59.01107 339.3324       63.19480 512.6710       164.9252 51.83821 5.038822 57.51565 12.22867 -5.677437      13.22612 
1 1 1 39  7  16 o 22.56729 7.169730 20.47685       59.41167 14.91140       64.07239 54.61035       158.6759 18.48523 7.946943 26.64935 11.93592 -8.164120      14.33946 
1 1 1 39  9  0  o 42.17413 5.500825 237.4305       39.93533 245.6984       43.69374 195.4789       98.42279 45.03811 4.009930 39.31016 10.24484 5.727955       11.00165 
1 1 1 39  9  1  o 203.0356 3.610734 4951.344       150.7139 4910.250       172.1436 5086.258       311.9112 201.3653 3.533492 204.7058 6.297939 -3.340485      7.221468 
1 1 1 39  9  2  o 214.6650 3.747943 5511.441       164.5968 5445.550       187.4339 5733.492       344.0795 212.0426 3.653615 217.2875 6.545182 -5.244934      7.495886 
1 1 1 39  9  3  o 270.2601 4.379081 8741.509       242.4682 8631.965       276.2646 9108.864       505.9094 266.8897 4.278495 273.6304 7.641982 -6.740692      8.758162 
1 1 1 39  9  4  o 75.12843 4.016507 745.5535       56.30272 785.6486       63.19852 591.3147       123.9532 80.54382 3.243190 69.71305 7.349221 10.83077       8.033014 
1 1 1 39  9  5  o 47.61212 5.743241 343.8084       47.85520 383.4133       53.74165 192.1476       105.1655 56.24336 3.949458 38.98088 10.78615 17.26248       11.48648 
1 1 1 39  9  6  o 242.1750 4.043146 7278.182       207.5006 7444.357       242.5441 6824.509       400.7550 247.7498 4.046457 236.6003 7.001021 11.14952       8.086291 
1 1 1 39  9  7  o 44.61598 5.700649 250.5568       44.05982 251.4628       48.07793 245.8061       110.0929 45.50392 4.367115 43.72804 10.53176 1.775883       11.40130 
1 1 1 39  9  8  o 157.9132 3.306210 3012.303       105.9936 2993.810       120.4974 3075.550       222.8385 157.1022 3.170246 158.7241 5.802899 -1.621887      6.612420 
1 1 1 39  9  9  o 68.54535 4.539846 602.3815       53.03057 613.5188       57.68356 541.5824       134.7755 71.06461 3.355030 66.02608 8.437097 5.038528       9.079693 
1 1 1 39  9  10 o 25.59848 6.734796 59.89005       41.42211 57.23686       44.38260 77.81083       115.3473 21.90099 7.220266 29.29596 11.37091 -7.394972      13.46959 
1 1 1 39  9  11 o 83.59483 3.899668 935.2615       59.93439 981.8763       66.99723 748.4830       134.1092 89.81499 3.083228 77.37467 7.164032 12.44032       7.799336 
1 1 1 39  9  12 o 72.46316 4.132506 641.0535       55.61850 634.1067       61.33934 673.1707       131.8906 72.02608 3.520036 72.90024 7.477953 -0.8741608     8.265013 
1 1 1 39  9  13 f 59.68636 5.987426 480.1151       56.64524 484.7417       61.23985 452.7067       149.0541 62.73864 4.034565 56.63407 11.27472 6.104568       11.97485 
1 1 1 39  9  14 f 81.88992 4.533728 875.6388       68.02580 885.5101       75.30965 831.8858       158.5503 84.72665 3.673909 79.05320 8.289822 5.673447       9.067455 
1 1 1 39  9  15 o 23.31449 7.273434 27.40652       55.26680 23.49715       58.83302 56.75193       161.1901 18.84853 7.830944 27.78045 12.25919 -8.931919      14.54687 
1 1 1 39  9  16 o 45.07482 7.923016 361.5684       67.94794 365.8291       72.37769 329.9227       197.2525 52.56218 5.691531 37.58746 14.78862 14.97471       15.84603 
1 1 1 39  11 0  o 246.0227 3.506495 7324.782       208.4279 7084.681       285.8228 7597.457       304.5952 241.7333 4.887176 250.3120 5.029665 -8.578705      7.012990 
1 1 1 39  11 1  o 58.07841 3.411555 411.8392       47.59743 367.9239       68.79501 452.1640       65.92270 55.07804 5.162692 61.07877 4.461104 -6.000729      6.823111 
1 1 1 39  11 2  o 79.78387 2.918118 772.2913       56.22068 754.8232       81.52150 788.1342       77.63677 78.91756 4.269689 80.65019 3.978870 -1.732628      5.836236 
1 1 1 39  11 3  o 130.9665 2.664008 2078.206       84.39622 2131.461       119.8402 2025.805       118.8743 132.6328 3.734643 129.3001 3.800027 3.332748       5.328017 
1 1 1 39  11 4  f 152.7205 3.319586 2877.896       103.4282 2920.817       118.4395 2740.036       212.2652 155.2836 3.152597 150.1573 5.842922 5.126389       6.639173 
1 1 1 39  11 5  o 189.7112 3.591701 4306.380       137.7439 4253.217       156.0663 4493.754       292.9927 187.3230 3.443623 192.0993 6.304183 -4.776291      7.183402 
1 1 1 39  11 6  o 196.9064 3.631608 4837.349       149.6125 4965.525       173.9084 4472.338       293.4748 202.3363 3.552586 191.4764 6.335096 10.85983       7.263216 
1 1 1 39  11 7  f 104.0426 3.304148 1303.400       67.35274 1293.779       75.50658 1340.869       149.0063 103.2902 3.021506 104.7950 5.877080 -1.504837      6.608296 
1 1 1 39  11 8  o 170.5747 3.448817 3540.791       120.0768 3532.560       136.9739 3568.114       249.5639 170.5430 3.319720 170.6064 6.046223 -0.6338501E-01 6.897634 
1 1 1 39  11 9  o 126.8248 3.453969 2014.486       85.33823 2048.060       96.10725 1889.352       185.5404 129.8227 3.059871 123.8269 6.193286 5.995796       6.907938 
1 1 1 39  11 10 o 22.61911 6.075336 53.61793       42.86581 76.24170       45.50407 -124.6877      127.7469 24.48263 7.201628 20.75559 9.786491 3.727037       12.15067 
1 1 1 39  11 11 f 33.25226 7.195652 114.4792       45.63136 103.0892       48.57114 200.1190       133.1843 28.10866 7.131032 38.39586 12.50032 -10.28720      14.39130 
1 1 1 39  11 12 o 105.0296 3.706477 1246.160       70.78406 1186.443       76.98167 1572.873       180.0627 98.51614 3.229815 111.5431 6.672344 -13.02700      7.412954 
1 1 1 39  11 13 o 81.54292 4.615388 938.0963       66.22082 990.8364       73.54581 712.1951       152.2113 89.82903 3.384067 73.25682 8.588091 16.57221       9.230776 
1 1 1 39  11 14 o 66.46997 5.531510 537.8770       61.00708 517.9250       65.38059 672.2189       169.6532 64.44366 4.193400 68.49628 10.23747 -4.052620      11.06302 
1 1 1 39  11 15 o 40.93887 7.691018 279.2962       61.94200 283.5860       65.66131 244.6163       186.6950 46.49930 5.836611 35.37844 14.23169 11.12086       15.38204 
1 1 1 39  13 0  o 154.9761 2.821383 2909.992       105.7751 2859.738       148.3856 2961.910       150.8214 153.6159 3.992576 156.3363 3.987500 -2.720444      5.642767 
1 1 1 39  13 1  o 172.2367 2.907993 3595.869       121.1743 3581.417       170.6472 3610.569       172.0947 171.8884 4.103461 172.5850 4.121564 -0.6966248     5.815985 
1 1 1 39  13 2  o 310.9969 4.198198 11755.71       315.8773 11800.57       447.7121 11711.25       445.7304 311.5873 5.939047 310.4066 5.935248 1.180634       8.396396 
1 1 1 39  13 3  o 174.9973 2.909767 3714.766       123.1785 3787.285       174.3158 3642.438       174.0859 176.7076 4.077361 173.2870 4.152361 3.420578       5.819534 
1 1 1 39  13 4  o 157.6023 2.805705 3011.351       106.9295 3143.368       153.4476 2886.727       149.0888 160.9608 3.940375 154.2437 3.995168 6.717102       5.611410 
1 1 1 39  13 5  o 125.3732 2.668153 1904.869       80.84519 1850.182       111.2581 1966.049       117.6764 123.4747 3.724355 127.2716 3.821693 -3.796814      5.336306 
1 1 1 39  13 6  o 162.0019 2.829048 3188.176       110.8376 3139.493       154.1473 3240.289       159.4849 160.7290 3.964054 163.2748 4.037366 -2.545776      5.658095 
1 1 1 39  13 7  o 23.51722 6.557285 -9.439528      41.91629 -31.73386      45.05180 134.2058       114.3565 13.37220 6.133880 33.66223 11.59170 -20.29003      13.11457 
1 1 1 39  13 8  o 120.8019 3.552888 1770.735       81.80131 1760.436       90.93843 1814.396       187.2436 120.3460 3.123299 121.2578 6.382558 -0.9118500     7.105775 
1 1 1 39  13 9  f 102.6905 3.884339 1301.486       72.41873 1302.693       79.56821 1295.657       174.8036 103.4520 3.179058 101.9290 7.088438 1.523026       7.768678 
1 1 1 39  13 10 o 119.9072 3.732199 1756.015       81.46853 1745.508       89.43179 1807.258       197.4990 119.6871 3.088461 120.1274 6.795488 -0.4402390     7.464399 
1 1 1 39  13 11 o 19.32556 6.264342 -8.332632      46.13353 2.731673       48.95224 -96.19274      137.9451 16.36775 6.988866 22.28336 10.39825 -5.915609      12.52868 
1 1 1 39  13 12 o 48.55719 6.897040 297.5861       54.87434 288.0572       58.72187 363.2362       154.1332 48.03963 5.052402 49.07475 12.83549 -1.035126      13.79408 
1 1 1 39  13 13 o 35.65739 7.803750 152.7991       55.29649 137.9989       59.14890 255.4432       155.7682 31.67494 7.775836 39.63984 13.53257 -7.964899      15.60750 
1 1 1 39  13 14 o 26.89001 7.383938 96.51116       57.11212 105.5598       60.43621 20.97561       174.6148 27.13824 8.370731 26.64178 12.16639 0.4964619      14.76788 
1 1 1 39  13 15 o 33.30691 8.765860 152.3985       64.43048 129.5189       67.72054 370.8507       209.2543 28.72996 8.860702 37.88385 15.12776 -9.153889      17.53172 
1 1 1 39  15 0  o 169.7959 2.898621 3477.953       118.6516 3280.317       159.7790 3720.929       177.1615 164.4570 4.015733 175.1348 4.181138 -10.67778      5.797243 
1 1 1 39  15 1  o 69.12762 3.238274 577.2408       53.97966 517.2155       73.64342 646.9355       79.35352 65.25931 4.664330 72.99595 4.493296 -7.736641      6.476549 
1 1 1 39  15 2  o 98.95671 2.797960 1188.631       66.97044 1209.918       94.29250 1166.962       95.13413 99.85521 3.903050 98.05820 4.010053 1.797005       5.595920 
1 1 1 39  15 3  o 154.0806 2.809354 2882.977       104.7042 2920.917       147.2206 2844.143       148.9426 155.1136 3.922984 153.0475 4.022448 2.066086       5.618709 
1 1 1 39  15 4  o 115.0737 2.707668 1607.992       75.37257 1581.826       105.5321 1635.238       107.6863 114.1192 3.822288 116.0282 3.836141 -1.908981      5.415337 
1 1 1 39  15 5  o 128.0445 2.710815 1991.223       83.93032 1917.565       116.4546 2070.837       121.0708 125.5834 3.832852 130.5056 3.834491 -4.922241      5.421630 
1 1 1 39  15 6  o 121.6863 2.684674 1802.160       79.02192 1788.239       110.4759 1816.745       113.0772 121.2110 3.767239 122.1616 3.825939 -0.9505157     5.369349 
1 1 1 39  15 7  o 115.5800 2.802735 1624.730       78.24495 1508.748       107.5810 1754.985       114.0086 111.2052 3.998602 119.9548 3.928420 -8.749557      5.605470 
1 1 1 39  15 8  o 58.49781 3.737009 423.2850       52.64117 387.3718       75.74956 456.8279       73.20723 56.02615 5.588394 60.96947 4.962943 -4.943314      7.474018 
1 1 1 39  15 9  o 27.05799 7.406565 67.46920       48.49053 67.11530       51.21765 70.52945       150.6118 23.42444 7.757967 30.69155 12.61914 -7.267107      14.81313 
1 1 1 39  15 10 o 59.39578 6.906823 559.5389       58.91185 589.8239       63.21773 359.6669       162.4054 69.34260 3.768222 49.44897 13.28974 19.89363       13.81365 
1 1 1 39  15 11 o 51.03459 7.018405 340.6934       56.46322 334.7875       60.22554 383.5812       162.2946 51.87007 4.799119 50.19911 13.19092 1.670959       14.03681 
1 1 1 39  15 12 o 33.68505 6.425908 194.9764       55.64711 227.9528       59.65330 -26.09161      154.4529 42.27805 5.831995 25.09206 11.45238 17.18600       12.85182 
1 1 1 39  15 13 o 39.12946 7.452591 252.9999       59.94615 262.5939       63.65873 177.8703       178.1408 44.97531 5.850346 33.28362 13.70905 11.69170       14.90518 
1 1 1 39  15 14 o 18.90673 6.528520 -42.04181      61.28569 -30.81556      64.53946 -145.0327      195.4823 15.55946 7.210069 22.25399 10.88583 -6.694526      13.05704 
1 1 1 39  17 0  o 39.21058 5.097387 191.5145       47.25766 212.9465       67.83627 171.3058       65.87186 41.72167 6.720444 36.69949 7.666096 5.022175       10.19477 
1 1 1 39  17 1  o 155.4896 3.935246 2937.245       148.0388 2937.245       148.0388 0.000000       0.000000 155.4896 3.935246 ?        ?        ?              ?        
1 1 1 39  17 2  o 160.0812 2.876820 3105.275       111.1673 2959.904       151.1438 3276.595       164.0805 156.0273 4.003939 164.1351 4.131931 -8.107880      5.753641 
1 1 1 39  17 3  o 94.63712 2.858296 1088.944       65.41231 1048.056       90.96365 1132.730       94.13161 92.79786 4.051610 96.47638 4.032851 -3.678520      5.716592 
1 1 1 39  17 4  o 40.52563 4.951498 209.0745       46.43799 153.4855       65.19990 266.3075       66.15703 34.48195 7.974390 46.56932 5.871833 -12.08738      9.902996 
1 1 1 39  17 5  f 30.52919 5.342209 117.1015       44.99328 34.48317       64.77943 194.1060       62.53988 21.43402 8.461585 39.62436 6.523676 -18.19035      10.68442 
1 1 1 39  17 6  o 162.9715 2.904074 3245.997       114.4918 3262.817       160.9880 3228.783       162.8599 163.4127 4.071976 162.5303 4.141691 0.8824615      5.808149 
1 1 1 39  17 7  o 128.1329 3.448889 2032.516       102.8855 1971.446       168.9038 2068.545       129.7314 126.2879 5.528094 129.9778 4.125472 -3.689949      6.897778 
1 1 1 39  17 8  o 125.1017 2.921397 1920.666       88.28877 1913.949       121.4963 1928.182       128.5177 124.9182 4.020081 125.2852 4.239952 -0.3669739     5.842794 
1 1 1 39  17 9  o 112.7546 2.902943 1565.305       79.07543 1564.607       108.9412 1566.081       114.9606 112.7815 3.992562 112.7276 4.215181 0.5390930E-01  5.805885 
1 1 1 39  17 10 o 46.49289 6.845029 405.3827       71.81346 495.6981       81.18202 80.42831       153.9891 62.85511 5.338471 30.13067 12.60628 32.72444       13.69006 
1 1 1 39  17 11 o 18.62448 6.225496 -28.93572      52.87899 -11.85317      56.30029 -156.8114      154.0381 16.10920 7.169902 21.13976 10.17938 -5.030565      12.45099 
1 1 1 39  17 12 o 78.58215 5.887551 881.0231       72.85880 892.5090       78.51080 809.7560       195.5649 84.55151 3.838007 72.61279 11.13206 11.93871       11.77510 
1 1 1 39  17 13 o 39.67693 7.899726 261.9177       65.46803 257.6360       69.87532 292.6829       187.3046 43.38388 6.657223 35.96997 14.32843 7.413906       15.79945 
1 1 1 39  19 0  o 80.58165 3.164950 792.3040       61.65363 752.6974       86.85169 832.5364       87.53513 78.53670 4.570917 82.62659 4.378851 -4.089897      6.329899 
1 1 1 39  19 1  o 34.28203 5.433456 155.0682       47.76635 60.67702       69.22257 240.8663       65.99648 24.32515 8.948092 44.23891 6.166150 -19.91376      10.86691 
1 1 1 39  19 2  o 26.47724 6.138291 85.32450       45.38641 87.32362       64.46624 83.35976       63.90953 26.71098 8.696860 26.24350 8.664819 0.4674835      12.27658 
1 1 1 39  19 3  o 44.26242 4.884990 252.8190       49.63400 203.0125       73.49063 294.5914       67.30296 39.62054 7.943261 48.90429 5.688332 -9.283749      9.769980 
1 1 1 39  19 4  o 41.74140 4.983916 214.3598       48.61367 269.4311       76.03767 176.2870       63.22274 46.52717 6.754915 36.95564 7.329994 9.571529       9.967833 
1 1 1 39  19 5  o 112.7116 2.881341 1554.871       78.55251 1507.571       110.3438 1603.474       111.8517 110.9623 4.110267 114.4609 4.039084 -3.498619      5.762681 
1 1 1 39  19 6  o 31.17407 6.154866 124.3294       49.61900 176.9439       74.03347 81.42020       66.85764 36.47514 8.539935 25.87299 8.865609 10.60215       12.30973 
1 1 1 39  19 7  o 16.88001 5.424054 -36.23022      49.00721 -68.19539      73.89770 -11.13482      65.47711 15.98716 7.508515 17.77287 7.829664 -1.785713      10.84811 
1 1 1 39  19 8  o 29.58212 7.469521 110.9957       63.25671 99.21476       123.2766 115.2063       73.69897 29.87108 11.71046 29.29317 9.275778 0.5779152      14.93904 
1 1 1 39  19 9  f 72.71719 3.587176 666.1301       62.79491 727.0146       87.81293 602.4131       89.83234 76.28880 4.757681 69.14557 5.369898 7.143234       7.174353 
1 1 1 39  19 10 o 50.00384 5.079080 333.4076       59.07052 267.4984       81.74871 405.4216       85.45087 44.09878 7.954847 55.90890 6.317325 -11.81012      10.15816 
1 1 1 39  19 11 o 32.47104 6.709437 156.1779       57.47353 109.7355       77.48589 212.9780       85.69189 27.38757 9.535424 37.55451 9.441498 -10.16694      13.41887 
1 1 1 39  19 12 o 81.19510 5.467181 872.6575       107.3978 872.6575       107.3978 0.000000       0.000000 81.19510 5.467181 ?        ?        ?              ?        
1 1 1 39  21 0  f 16.87632 5.399016 -32.74422      46.38181 -22.41038      72.58511 -39.87561      60.29816 18.28409 8.139253 15.46854 7.095778 2.815543       10.79803 
1 1 1 39  21 1  o 61.52095 3.704930 458.2179       54.55041 564.2808       83.02449 377.6483       72.36188 67.71259 5.067976 55.32931 5.405704 12.38328       7.409860 
1 1 1 39  21 2  o 105.9846 2.910767 1374.762       74.60102 1435.583       106.8959 1317.015       104.1608 108.2796 4.080490 103.6896 4.152091 4.589981       5.821533 
1 1 1 39  21 3  o 21.64745 6.060412 24.12508       48.24858 74.84380       75.58358 -10.75560      62.68098 25.78833 9.370734 17.50657 7.687894 8.281755       12.12082 
1 1 1 39  21 4  o 70.83336 3.565766 622.0474       60.99078 593.9527       87.57207 648.5120       84.99367 69.21717 5.229372 72.44955 4.848959 -3.232384      7.131531 
1 1 1 39  21 5  o 60.43344 4.198531 467.2879       58.62505 309.9369       81.92213 632.4508       83.93107 49.42879 6.850447 71.43809 4.856134 -22.00930      8.397062 
1 1 1 39  21 6  o 44.08398 4.893908 247.9823       52.07269 257.1007       76.80512 240.2253       70.83985 44.77287 7.090437 43.39510 6.747373 1.377769       9.787815 
1 1 1 39  21 7  o 65.96524 3.777150 546.5333       60.12964 495.4659       83.33699 601.9889       86.84367 62.68224 5.495295 69.24824 5.183548 -6.565998      7.554299 
1 1 1 39  21 8  o 28.57233 7.728585 105.0726       76.72516 40.42831       131.5880 138.3700       94.44012 26.12029 11.30880 31.02437 10.53732 -4.904078      15.45717 
1 1 1 39  21 9  o 22.03048 7.070439 -41.52925      78.72922 72.12374       133.3659 -102.3201      97.53786 27.03005 11.53847 17.03090 8.174851 9.999147       14.14088 
1 1 1 39  23 0  o 48.60015 4.690004 297.1270       54.93026 334.1142       79.40310 263.1796       76.07029 51.57334 6.363703 45.62696 6.891143 5.946384       9.380009 
1 1 1 39  23 1  o 76.19324 3.448467 720.2764       63.44202 766.1425       89.29981 673.5356       90.14732 78.71370 4.689191 73.67277 5.057589 5.040932       6.896935 
1 1 1 39  23 2  o 33.78136 6.386798 158.8905       54.18308 119.5165       82.39841 188.8862       71.91906 30.01418 9.835240 37.54855 8.150634 -7.534369      12.77360 
1 1 1 39  23 3  o 18.59912 5.732977 -7.975571      49.86687 -45.66080      74.63107 22.41991       67.02528 17.00446 7.834923 20.19377 8.371506 -3.189316      11.46595 
1 1 1 39  23 4  o 40.50955 7.599461 216.3528       70.54577 301.6062       131.3571 181.7966       83.62978 45.01631 11.88564 36.00280 9.473061 9.013515       15.19892 
1 1 1 40  0  0  o 32.17635 5.203494 143.3775       49.90364 143.3775       49.90364 143.3775       49.90364 32.17635 7.358851 32.17635 7.358851 0.000000       0.000000 
1 1 1 40  0  1  o 15.49053 6.223784 37.72619       51.26022 37.72619       51.26022 37.72619       51.26022 15.49053 8.801761 15.49053 8.801761 0.000000       0.000000 
1 1 1 40  0  2  o 28.85252 5.866755 122.8849       50.22462 122.8849       50.22462 122.8849       50.22462 28.85252 8.296845 28.85252 8.296845 0.000000       0.000000 
1 1 1 40  0  3  o 43.42810 4.140154 240.5609       58.37224 240.5609       58.37224 240.5609       58.37224 43.42810 5.855062 43.42810 5.855062 0.000000       0.000000 
1 1 1 40  0  4  o 148.2142 2.672582 2664.161       135.3317 2664.161       135.3317 2664.161       135.3317 148.2142 3.779601 148.2142 3.779601 0.000000       0.000000 
1 1 1 40  0  5  o 90.71523 2.691414 1001.407       83.20244 1001.407       83.20244 1001.407       83.20244 90.71523 3.806234 90.71523 3.806234 0.000000       0.000000 
1 1 1 40  0  6  o 162.5075 2.770431 3202.794       153.8394 3202.794       153.8394 3202.794       153.8394 162.5075 3.917981 162.5075 3.917981 0.000000       0.000000 
1 1 1 40  0  7  o 10.83591 5.178134 -27.11410      56.24133 -27.11410      56.24133 -27.11410      56.24133 10.83591 7.322988 10.83591 7.322988 0.000000       0.000000 
1 1 1 40  0  8  o 47.57556 3.866440 285.1675       60.78111 285.1675       60.78111 285.1675       60.78111 47.57556 5.467971 47.57556 5.467971 0.000000       0.000000 
1 1 1 40  0  9  o 15.84658 6.148730 42.67320       47.94806 42.67320       47.94806 42.67320       47.94806 15.84658 8.695618 15.84658 8.695618 0.000000       0.000000 
1 1 1 40  0  10 o 83.52937 2.728626 851.5345       77.60401 851.5345       77.60401 851.5345       77.60401 83.52937 3.858860 83.52937 3.858860 0.000000       0.000000 
1 1 1 40  0  11 f 34.11742 5.898628 165.4329       59.64493 165.4329       59.64493 165.4329       59.64493 34.11742 8.341920 34.11742 8.341920 0.000000       0.000000 
1 1 1 40  0  12 o 101.5250 2.643303 1257.426       91.53754 1257.426       91.53754 1257.426       91.53754 101.5250 3.738195 101.5250 3.738195 0.000000       0.000000 
1 1 1 40  0  13 o 85.53217 2.851597 896.8077       83.02893 896.8077       83.02893 896.8077       83.02893 85.53217 4.032767 85.53217 4.032767 0.000000       0.000000 
1 1 1 40  0  14 o 40.48549 5.443080 223.7510       67.47353 223.7510       67.47353 223.7510       67.47353 40.48549 7.697678 40.48549 7.697678 0.000000       0.000000 
1 1 1 40  0  15 o 21.86222 7.838933 93.07368       73.16816 93.07368       73.16816 93.07368       73.16816 21.86222 11.08593 21.86222 11.08593 0.000000       0.000000 
1 1 1 40  0  16 o 18.86369 7.679357 67.42585       79.51405 67.42585       79.51405 67.42585       79.51405 18.86369 10.86025 18.86369 10.86025 0.000000       0.000000 
1 1 1 40  0  17 o 16.52123 7.279809 42.45533       83.53330 42.45533       83.53330 42.45533       83.53330 16.52123 10.29520 16.52123 10.29520 0.000000       0.000000 
1 1 1 40  2  0  o 206.5042 3.532494 5249.111       155.5002 5344.382       182.0702 4992.267       298.9456 210.1032 3.581820 202.9052 6.089713 7.198059       7.064987 
1 1 1 40  2  1  o 233.3530 3.855751 6521.387       186.2502 6448.941       213.2565 6754.313       382.3886 230.7756 3.819531 235.9304 6.699136 -5.154800      7.711501 
1 1 1 40  2  2  o 225.1504 3.812665 5843.114       170.9523 5628.723       191.4791 6685.307       379.5101 215.6022 3.670844 234.6985 6.683603 -19.09637      7.625329 
1 1 1 40  2  3  o 81.79920 3.027237 845.2038       52.04068 884.3028       60.95153 740.0357       99.96403 85.47015 2.947595 78.12825 5.288510 7.341904       6.054474 
1 1 1 40  2  4  o 194.6630 3.475249 4472.574       138.0058 4372.844       156.5780 4819.750       292.1409 190.0332 3.405643 199.2929 6.058963 -9.259689      6.950499 
1 1 1 40  2  5  o 189.6256 3.436525 4272.681       133.7635 4197.803       152.3453 4524.688       279.4845 186.1816 3.382128 193.0696 5.983312 -6.887970      6.873050 
1 1 1 40  2  6  o 39.69625 5.049564 179.1665       40.25461 165.8688       45.46983 227.3647       86.56659 36.97752 5.082568 42.41499 8.726963 -5.437469      10.09913 
1 1 1 40  2  7  o 157.5866 3.174765 2946.155       102.2190 2890.814       116.1502 3136.229       215.2591 154.4874 3.107596 160.6858 5.537092 -6.198395      6.349530 
1 1 1 40  2  8  o 57.47474 4.166108 383.4912       53.69835 355.3968       63.78229 451.8739       99.50912 54.08508 4.874390 60.86441 6.757673 -6.779327      8.332216 
1 1 1 40  2  9  o 124.2449 3.014425 1876.468       77.42040 1877.288       88.85354 1873.885       157.7740 124.4432 2.951218 124.0466 5.257123 0.3965759      6.028849 
1 1 1 40  2  10 o 33.82166 5.732144 151.6915       41.13784 160.1894       46.52465 121.2374       88.07481 36.21077 5.310594 31.43254 10.16009 4.778221       11.46429 
1 1 1 40  2  11 o 103.6643 3.163185 1255.129       65.89793 1211.816       74.13457 1418.203       143.8477 99.85732 3.068588 107.4712 5.532334 -7.613930      6.326370 
1 1 1 40  2  12 o 22.42808 5.675103 55.24007       42.82088 88.55920       47.54639 -87.82867      98.52423 26.20615 7.252937 18.65001 8.730527 7.556141       11.35021 
1 1 1 40  2  13 o 78.08792 2.928741 749.9480       55.01616 849.8188       78.43807 653.2396       77.18622 83.28149 3.892926 72.89436 4.376667 10.38712       5.857481 
1 1 1 40  2  14 o 106.8621 2.809377 1406.399       72.62374 1420.775       102.2417 1391.759       103.1756 107.4320 3.933617 106.2923 4.012113 1.139771       5.618753 
1 1 1 40  2  15 o 41.95271 5.441216 236.1439       53.75213 204.0627       75.96800 268.3081       76.06607 38.44452 8.402213 45.46089 6.915933 -7.016369      10.88243 
1 1 1 40  2  16 o 32.89813 6.831533 163.0812       57.94685 165.4913       82.49357 160.7337       81.41550 33.12118 9.683390 32.67508 9.639054 0.4461060      13.66307 
1 1 1 40  2  17 o 25.65146 6.623824 87.45737       58.80568 169.0362       86.26818 16.64860       80.37210 31.71792 10.03479 19.58500 8.648881 12.13292       13.24765 
1 1 1 40  4  0  o 349.5959 5.314261 14709.01       384.3681 14587.42       440.3387 15098.16       787.7787 346.9328 5.246132 352.2591 9.243570 -5.326294      10.62852 
1 1 1 40  4  1  o 215.0394 3.690809 5393.805       159.5873 5234.608       179.6952 5988.103       347.1932 207.9246 3.572139 222.1543 6.459729 -14.22969      7.381618 
1 1 1 40  4  2  o 437.2819 6.470605 23301.47       594.2002 23323.56       687.3550 23236.17       1182.068 438.3900 6.480645 436.1738 11.20161 2.216187       12.94121 
1 1 1 40  4  3  o 327.2135 5.013308 13041.66       344.4181 13078.54       398.5013 12932.78       684.7207 328.4681 5.014576 325.9588 8.682572 2.509277       10.02662 
1 1 1 40  4  4  o 271.9220 4.314633 9094.686       249.3277 9230.810       291.2204 8721.000       482.5101 276.0041 4.361179 267.8400 7.446097 8.164124       8.629267 
1 1 1 40  4  5  o 346.4742 5.291194 14543.74       381.3897 14487.73       438.5904 14717.43       772.3706 345.5985 5.245476 347.3499 9.190862 -1.751404      10.58239 
1 1 1 40  4  6  o 257.4955 4.175019 8060.520       224.4668 8067.928       258.8718 8038.072       450.6094 257.9961 4.147336 256.9948 7.247257 1.001343       8.350039 
1 1 1 40  4  7  o 171.1938 3.317338 3558.695       117.3943 3560.612       134.7235 3552.647       239.2761 171.4322 3.248243 170.9555 5.785141 0.4767303      6.634676 
1 1 1 40  4  8  o 50.52919 5.149095 314.6161       61.91892 327.9001       81.62285 296.6091       95.03194 51.84835 6.506906 49.21003 7.982036 2.638317       10.29819 
1 1 1 40  4  9  o 199.7830 3.579211 4878.537       148.6172 4895.390       171.1555 4826.889       299.6254 200.8359 3.522470 198.7301 6.231789 2.105774       7.158421 
1 1 1 40  4  10 o 56.80135 5.063294 478.5446       48.63046 527.5663       54.71295 294.1107       106.1246 65.89108 3.432110 47.71162 9.527246 18.17947       10.12659 
1 1 1 40  4  11 o 104.8720 3.271461 1385.848       69.33936 1421.579       79.36948 1270.672       142.4991 108.1447 3.033515 101.5993 5.797208 6.545319       6.542922 
1 1 1 40  4  12 o 50.72311 5.190157 312.9362       48.74463 304.3037       54.07150 350.3867       112.6234 49.81486 4.486495 51.63136 9.360678 -1.816498      10.38031 
1 1 1 40  4  13 o 89.09074 3.620843 971.5372       62.70009 963.9105       70.16094 1001.785       139.7238 88.84100 3.264222 89.34049 6.464276 -0.4994965     7.241685 
1 1 1 40  4  14 o 67.36864 4.570401 593.4768       57.57417 604.7531       64.20324 547.1743       130.0993 70.10674 3.785253 64.63052 8.320224 5.476219       9.140802 
1 1 1 40  4  15 o 27.60938 6.759375 109.7996       55.73010 136.1961       60.46246 -39.29803      143.6971 31.40766 7.949792 23.81111 10.93423 7.596554       13.51875 
1 1 1 40  4  16 o 23.59657 6.509650 65.67881       55.07208 33.82553       82.46885 91.31691       73.98706 21.55904 9.133628 25.63409 9.277878 -4.075050      13.01930 
1 1 1 40  6  0  o 252.6832 4.079526 7863.089       219.5862 8002.043       256.9888 7487.209       422.6711 257.0343 4.132576 248.3321 7.035053 8.702164       8.159053 
1 1 1 40  6  1  o 322.3912 4.926847 12802.17       339.1214 13015.07       397.3119 12230.82       650.8696 327.6913 5.011460 317.0912 8.484134 10.60019       9.853693 
1 1 1 40  6  2  f 307.5090 4.776557 11441.07       306.0219 11401.80       352.1642 11562.17       618.4055 306.7256 4.745620 308.2924 8.291025 -1.566864      9.553115 
1 1 1 40  6  3  o 64.30527 3.852494 500.9045       47.98571 500.4903       53.66056 502.5580       107.2121 64.28886 3.449985 64.32166 6.889446 -0.3279877E-01 7.704989 
1 1 1 40  6  4  o 224.0003 3.782595 6240.284       181.4614 6429.336       213.7547 5752.528       343.3418 230.3772 3.835074 217.6235 6.521067 12.75375       7.565190 
1 1 1 40  6  5  o 207.8397 3.648261 5325.578       159.9176 5417.682       186.1420 5066.032       312.4728 211.4759 3.638154 204.2035 6.324798 7.272415       7.296522 
1 1 1 40  6  6  o 147.3199 3.167921 2637.435       96.07912 2642.186       110.0868 2622.249       196.8215 147.6995 3.080733 146.9404 5.536422 0.7591400      6.335842 
1 1 1 40  6  7  f 155.5881 3.245717 2968.792       104.0029 2996.562       119.4250 2881.618       211.5922 157.2575 3.138930 153.9187 5.682063 3.338821       6.491434 
1 1 1 40  6  8  o 88.54625 3.491722 1000.925       60.31066 1036.828       68.28923 873.6467       128.5770 92.48338 3.052012 84.60912 6.281219 7.874252       6.983444 
1 1 1 40  6  9  o 96.53760 3.452477 1182.352       64.19160 1215.285       72.21844 1058.418       140.0977 100.0934 2.982226 92.98184 6.227739 7.111519       6.904955 
1 1 1 40  6  10 f 57.65406 5.511476 516.9769       50.91764 572.7584       56.73431 286.0202       115.4425 68.63551 3.416604 46.67262 10.48009 21.96288       11.02295 
1 1 1 40  6  11 o 31.60399 6.426850 128.5559       44.01954 131.9470       48.40946 112.3617       105.7896 32.09984 6.457111 31.10814 11.11411 0.9916973      12.85370 
1 1 1 40  6  12 o 36.62550 6.093380 218.6569       47.28545 249.4014       51.91770 69.06603       114.5208 45.02639 4.765912 28.22462 11.21620 16.80176       12.18676 
1 1 1 40  6  13 o 87.71384 3.581992 895.0655       62.89117 851.8841       70.49194 1063.534       139.2354 83.41830 3.492817 92.00938 6.254829 -8.591080      7.163983 
1 1 1 40  6  14 o 22.94251 6.748726 1.473737       48.89248 -22.47897      53.66747 118.3938       118.5710 15.16740 6.854425 30.71763 11.62747 -15.55023      13.49745 
1 1 1 40  6  15 o 47.88866 7.038491 336.6247       56.62434 339.4405       61.03177 319.2148       151.7607 51.89235 4.861276 43.88496 13.21096 8.007389       14.07698 
1 1 1 40  6  16 o 52.19266 7.735442 404.7578       67.64606 393.0463       72.73122 479.8334       184.1463 54.93761 5.472034 49.44770 14.47084 5.489914       15.47088 
1 1 1 40  8  0  o 228.4370 3.821459 6423.329       185.4738 6531.864       216.7089 6126.116       358.6130 232.2314 3.857035 224.6426 6.598293 7.588821       7.642918 
1 1 1 40  8  1  o 248.3313 4.046147 7621.412       214.7792 7789.195       252.1513 7177.871       409.9714 253.5711 4.110165 243.0916 6.970780 10.47951       8.092295 
1 1 1 40  8  2  o 271.7848 4.333639 9077.374       249.8748 9202.120       291.4964 8731.707       485.2314 275.5732 4.372138 267.9963 7.483725 7.576904       8.667278 
1 1 1 40  8  3  o 190.1609 3.500654 4370.125       137.3757 4356.774       157.3833 4412.850       281.5382 189.6701 3.429710 190.6516 6.103720 -0.9815063     7.001308 
1 1 1 40  8  4  o 368.1076 5.551901 16722.18       435.1804 16978.41       509.0205 16026.17       838.9310 374.0058 5.625415 362.2094 9.573355 11.79642       11.10380 
1 1 1 40  8  5  o 101.6255 3.225106 1278.214       66.62173 1300.773       76.22607 1205.235       137.1036 103.6367 3.040099 99.61436 5.688851 4.022316       6.450212 
1 1 1 40  8  6  f 184.2584 3.497162 4075.409       130.7794 4036.265       148.5119 4210.589       275.9864 182.5013 3.363511 186.0154 6.132483 -3.514114      6.994323 
1 1 1 40  8  7  o 89.68789 3.431753 1010.176       59.43978 1032.915       66.82111 923.9738       130.1036 92.32023 2.991676 87.05555 6.177182 5.264679       6.863505 
1 1 1 40  8  8  o 66.27864 4.229107 605.4480       50.79964 649.5562       56.94944 433.6704       112.3862 73.17483 3.216810 59.38245 7.822629 13.79238       8.458215 
1 1 1 40  8  9  o 85.33897 3.906438 963.2776       60.09470 1004.677       66.65865 783.5812       138.8770 90.97512 3.028527 79.70283 7.202018 11.27229       7.812877 
1 1 1 40  8  10 o 132.4192 3.314756 2209.066       88.11239 2263.636       100.5528 2028.554       182.8806 136.4718 3.045434 128.3667 5.888613 8.105118       6.629512 
1 1 1 40  8  11 o 75.97371 4.126302 763.9104       56.93985 793.6077       63.24648 636.8828       130.8057 80.71978 3.238576 71.22765 7.590592 9.492134       8.252604 
1 1 1 40  8  12 o 65.49448 4.614483 565.5950       55.63720 583.0433       61.92788 492.5640       126.6962 69.02406 3.708372 61.96490 8.451142 7.059162       9.228967 
1 1 1 40  8  13 o 46.77923 6.777301 318.3355       54.72352 328.7797       59.46436 260.5592       139.8598 51.48307 4.774084 42.07539 12.68603 9.407677       13.55460 
1 1 1 40  8  14 o 51.93597 6.539875 372.1495       59.56539 372.8676       65.48698 368.7091       143.3454 54.53893 4.963020 49.33301 12.10158 5.205921       13.07975 
1 1 1 40  8  15 o 21.10042 6.907289 -6.689103      56.99436 -5.974595      60.90076 -11.72873      161.7403 16.94174 7.502755 25.25910 11.59962 -8.317360      13.81458 
1 1 1 40  8  16 o 35.96378 6.751063 256.5528       68.11554 296.4792       73.50838 14.00357       181.1783 46.66913 6.510357 25.25842 11.82889 21.41071       13.50213 
1 1 1 40  10 0  o 30.17789 5.013389 110.2597       38.83257 174.9348       56.71761 53.18978       53.27866 37.96183 6.175447 22.39395 7.899374 15.56788       10.02678 
1 1 1 40  10 1  o 175.9650 3.573307 3740.476       142.2938 3714.525       172.6887 3795.360       251.1346 175.0931 4.076547 176.8368 5.869910 -1.743729      7.146613 
1 1 1 40  10 2  o 225.6050 3.850737 6319.246       185.2121 6489.373       217.4140 5869.125       353.6431 231.4367 3.882871 219.7733 6.651016 11.66342       7.701474 
1 1 1 40  10 3  o 248.0608 4.084606 7641.197       216.1484 7842.757       253.7912 7108.864       412.4452 254.3799 4.123742 241.7416 7.052005 12.63832       8.169212 
1 1 1 40  10 4  o 156.7975 3.298798 3015.297       106.5737 3045.844       122.4209 2919.691       216.5790 158.5734 3.190973 155.0217 5.774596 3.551682       6.597596 
1 1 1 40  10 5  o 251.2704 4.166887 7720.047       218.2010 7759.271       251.7054 7601.428       437.7158 252.9199 4.113460 249.6210 7.247844 3.298950       8.333775 
1 1 1 40  10 6  o 21.89962 6.023334 41.86840       42.88308 63.93380       46.59134 -80.42831      109.6874 23.10858 7.381327 20.69067 9.520410 2.417904       12.04667 
1 1 1 40  10 7  o 40.02061 6.064241 255.8432       45.49868 286.2315       49.90503 106.1987       110.7442 48.52896 4.250510 31.51225 11.35928 17.01670       12.12848 
1 1 1 40  10 8  o 50.04401 5.370877 308.8545       48.22592 305.9666       53.19229 322.1892       114.3015 50.12097 4.386589 49.96706 9.805260 0.1539078      10.74175 
1 1 1 40  10 9  o 23.59177 6.123617 61.59726       43.41560 81.92299       47.24303 -48.81618      110.1097 25.39934 7.300043 21.78419 9.833825 3.615147       12.24723 
1 1 1 40  10 10 o 35.08566 6.668508 107.7714       44.19177 82.37411       47.51663 270.4343       120.2530 25.38355 7.328613 44.78778 11.14304 -19.40423      13.33702 
1 1 1 40  10 11 o 38.19675 6.524272 227.8305       49.19425 248.5078       53.17868 105.1517       129.5317 44.91264 4.894031 31.48087 12.09599 13.43177       13.04854 
1 1 1 40  10 12 o 92.92280 3.681601 864.4317       63.44165 766.9340       68.64961 1434.860       166.0510 79.11721 3.586450 106.7284 6.430716 -27.61118      7.363201 
1 1 1 40  10 13 o 24.81672 7.091615 15.74004       50.31323 -8.430044      54.59911 151.8144       129.5492 16.24180 7.152743 33.39165 12.24754 -17.14985      14.18323 
1 1 1 40  10 14 o 28.80197 7.614411 105.4385       56.52423 108.6590       60.10800 80.82094       166.1834 27.95087 8.291692 29.65307 12.77360 -1.702196      15.22882 
1 1 1 40  10 15 o 28.45592 7.884615 103.6444       60.54884 97.18693       64.74071 148.7210       171.0495 25.96102 8.724953 30.95081 13.13559 -4.989790      15.76923 
1 1 1 40  12 0  o 67.04861 3.219734 546.5109       52.08454 581.1896       72.73539 510.0137       74.61800 69.24437 4.341692 64.85284 4.755676 4.391525       6.439467 
1 1 1 40  12 1  o 203.0522 3.135595 4986.096       153.8036 4774.649       210.5105 5228.210       225.2600 198.4514 4.384472 207.6529 4.483775 -9.201477      6.271191 
1 1 1 40  12 2  o 188.6174 3.026119 4311.862       138.0628 4426.813       197.4921 4201.987       193.0831 191.0759 4.272101 186.1590 4.287043 4.916870       6.052238 
1 1 1 40  12 3  o 36.45480 5.147687 165.6468       44.52374 192.6084       63.37430 139.3689       62.56563 39.77563 6.585577 33.13397 7.913590 6.641659       10.29537 
1 1 1 40  12 4  o 81.31775 2.838726 802.1657       55.83703 805.9574       79.85868 798.5391       78.10160 81.50365 4.049886 81.13184 3.978930 0.3718033      5.677452 
1 1 1 40  12 5  o 97.99704 3.581289 1127.061       66.25809 1103.426       73.15471 1234.979       156.3191 95.40318 3.169401 100.5909 6.423193 -5.187737      7.162577 
1 1 1 40  12 6  o 164.1157 3.402767 3382.231       115.4653 3485.414       133.6150 3077.930       229.4576 169.4957 3.258324 158.7357 5.974832 10.76007       6.805533 
1 1 1 40  12 7  o 203.8918 3.736795 5188.760       158.3674 5299.121       183.2951 4863.771       314.5409 208.8007 3.628412 198.9830 6.533695 9.817703       7.473589 
1 1 1 40  12 8  o 45.54761 6.364964 219.7737       49.45216 202.0783       52.98243 339.4408       137.7811 40.59397 5.394709 50.50125 11.53032 -9.907280      12.72993 
1 1 1 40  12 9  o 50.86769 6.729299 406.7479       53.07620 433.2363       57.15000 240.5711       143.1442 59.56699 3.965594 42.16840 12.86110 17.39859       13.45860 
1 1 1 40  12 10 o 119.8166 3.584107 1672.871       79.02319 1623.100       86.50426 1923.855       194.2563 115.4257 3.097651 124.2075 6.464352 -8.781769      7.168214 
1 1 1 40  12 11 o 35.88588 7.313629 161.0923       50.99928 157.8270       54.52227 183.9381       144.2154 34.86449 6.707325 36.90728 12.99879 -2.042789      14.62726 
1 1 1 40  12 12 o 23.53648 6.451805 59.57348       50.12394 85.25873       53.63300 -117.6681      140.8877 25.48063 7.889848 21.59233 10.21046 3.888308       12.90361 
1 1 1 40  12 13 o 27.08197 6.961309 98.45026       52.96293 114.1986       56.51326 -15.20524      151.8197 28.83616 7.877348 25.32778 11.47984 3.508385       13.92262 
1 1 1 40  12 14 o 19.75620 6.217273 6.948575       55.54290 44.36832       58.48777 -336.8233      177.2759 20.55070 8.063272 18.96171 9.465812 1.588993       12.43455 
1 1 1 40  12 15 f 48.50245 8.174871 289.4700       65.16811 250.2310       68.83805 628.3165       202.2886 42.65765 6.670053 54.34724 14.92731 -11.68959      16.34974 
1 1 1 40  14 0  o 61.30539 3.501378 457.4439       51.75363 415.2883       73.38659 499.1524       72.99635 58.47768 5.187095 64.13309 4.704534 -5.655411      7.002757 
1 1 1 40  14 1  o 79.36543 3.035073 764.4689       58.23851 730.1458       82.17158 799.1115       82.55314 77.57014 4.378494 81.16073 4.204219 -3.590591      6.070146 
1 1 1 40  14 2  o 76.60033 3.061077 713.9918       56.53559 780.1707       79.83785 647.4285       80.06944 80.18206 4.115563 73.01861 4.532429 7.163452       6.122154 
1 1 1 40  14 3  o 27.98287 5.666507 95.21693       42.30543 53.86241       58.98751 139.0181       60.70739 22.92499 8.286222 33.04075 7.731477 -10.11576      11.33301 
1 1 1 40  14 4  o 89.38493 2.798860 966.5958       60.33829 865.5565       82.79541 1081.036       88.11531 84.41382 4.054062 94.35605 3.859929 -9.942230      5.597720 
1 1 1 40  14 5  o 79.95714 4.022533 777.3199       77.81425 777.3199       77.81425 0.000000       0.000000 79.95714 4.022533 ?        ?        ?              ?        
1 1 1 40  14 6  o 42.60402 4.393294 222.9336       45.13631 247.3427       64.72190 199.8219       62.97856 44.90024 5.957997 40.30780 6.458050 4.592445       8.786589 
1 1 1 40  14 7  o 132.3889 3.390427 2143.417       87.98444 2142.650       98.85835 2146.342       192.9692 132.7742 3.077495 132.0036 6.042268 0.7706299      6.780853 
1 1 1 40  14 8  o 41.68810 7.017900 249.8726       52.17917 260.8374       55.83083 174.1820       146.6879 46.08286 5.007632 37.29335 13.11210 8.789501       14.03580 
1 1 1 40  14 9  o 45.19693 6.642745 252.9835       51.73095 246.8862       55.79707 290.3034       138.0419 44.73355 5.155559 45.66031 12.24437 -0.9267616     13.28549 
1 1 1 40  14 10 o 40.51060 7.159884 226.0654       52.44693 229.9679       55.97190 197.9774       150.1619 43.02180 5.377485 37.99940 13.27171 5.022408       14.31977 
1 1 1 40  14 11 o 63.12343 5.286695 441.5855       56.37367 415.2267       60.25714 626.5319       159.6129 57.95695 4.297349 68.28991 9.660712 -10.33296      10.57339 
1 1 1 40  14 12 f 30.66991 6.543998 152.0859       54.23946 180.8639       58.07736 -44.31886      151.7236 36.94278 6.746532 24.39703 11.21517 12.54575       13.08800 
1 1 1 40  14 13 o 45.55592 7.522053 366.4737       62.99168 385.9270       67.18264 224.9851       181.1844 55.08164 5.041362 36.03021 14.17427 19.05143       15.04411 
1 1 1 40  14 14 o 46.05317 8.164451 342.7372       65.20439 335.6185       68.85159 404.6401       203.0335 50.45885 5.639937 41.64749 15.32397 8.811367       16.32890 
1 1 1 40  16 0  o 60.54678 3.407077 445.6885       49.87686 424.4605       70.03184 467.5398       71.05229 59.07860 4.899627 62.01496 4.735646 -2.936359      6.814154 
1 1 1 40  16 1  o 148.8287 2.787836 2688.988       100.3631 2763.927       142.9118 2616.062       140.9776 150.8782 3.915069 146.7792 3.969932 4.098953       5.575673 
1 1 1 40  16 2  o 162.8597 2.873367 3212.204       112.9403 3074.486       153.3620 3375.396       166.9445 159.0729 3.984918 166.6466 4.140697 -7.573700      5.746733 
1 1 1 40  16 3  o 39.58731 4.939238 196.4985       45.51695 146.1510       62.75595 252.3831       66.11686 33.76589 7.833576 45.40874 6.018253 -11.64285      9.878476 
1 1 1 40  16 4  o 43.70106 4.387116 235.5326       46.17012 254.7084       64.29016 215.1101       66.34725 45.58398 5.829481 41.81813 6.557767 3.765850       8.774233 
1 1 1 40  16 5  o 40.20000 4.986419 207.1264       46.16110 140.3098       64.55670 277.0308       66.03159 32.91302 8.150115 47.48698 5.747445 -14.57396      9.972838 
1 1 1 40  16 6  o 32.43868 5.371026 130.0362       44.61496 207.7506       66.04249 64.79690       60.51005 40.93303 6.668793 23.94433 8.421334 16.98870       10.74205 
1 1 1 40  16 7  o 34.01385 7.774666 126.1756       62.80335 103.8619       70.80974 208.4474       135.9668 28.61714 9.095382 39.41055 12.61173 -10.79341      15.54933 
1 1 1 40  16 8  o 70.01221 3.543319 602.2595       59.88351 554.3431       81.80485 657.5815       87.89935 67.01526 5.045486 73.00915 4.976295 -5.993889      7.086638 
1 1 1 40  16 9  o 84.01667 4.230516 851.6318       61.68137 837.6946       66.81931 931.9453       160.4016 82.76322 3.337046 85.27012 7.775164 -2.506897      8.461032 
1 1 1 40  16 10 o 24.96262 7.221151 52.17427       52.24548 53.18880       56.04788 45.44914       144.3038 21.86740 8.050516 28.05783 11.99038 -6.190430      14.44230 
1 1 1 40  16 11 o 85.00333 4.739117 955.4711       69.66771 966.4860       76.09367 898.3938       173.2167 88.52948 3.552698 81.47717 8.787220 7.052307       9.478233 
1 1 1 40  16 12 o 21.52114 6.203489 35.38853       56.13514 82.81684       59.84012 -312.4331      162.0511 24.69390 8.387795 18.34838 9.142101 6.345522       12.40698 
1 1 1 40  16 13 o 23.34973 7.125730 55.54342       62.15587 72.04646       65.98534 -74.38430      185.1468 23.15067 8.693627 23.54880 11.29269 -0.3981361     14.25146 
1 1 1 40  18 0  o 47.86753 4.400430 281.8954       50.19151 346.7906       72.47503 222.0867       69.57667 53.23826 5.626810 42.49681 6.767138 10.74146       8.800860 
1 1 1 40  18 1  o 170.8167 2.961027 3554.792       122.3484 3585.088       171.8816 3523.674       174.1951 171.5677 4.140868 170.0657 4.233668 1.502029       5.922054 
1 1 1 40  18 2  o 90.41859 2.920765 995.7888       63.85996 951.9575       89.10361 1042.080       91.57015 88.36810 4.167710 92.46909 4.093125 -4.100983      5.841531 
1 1 1 40  18 3  o 33.67830 5.792511 147.9265       46.67175 138.2519       69.35477 155.9337       63.09593 32.61561 8.648362 34.74098 7.708345 -2.125366      11.58502 
1 1 1 40  18 4  o 13.24390 4.517005 -96.11999      42.80490 -64.65520      64.09665 -121.4489      57.50838 14.85847 6.983054 11.62933 5.731519 3.229147       9.034011 
1 1 1 40  18 5  o 60.64583 3.701600 456.1355       53.90526 410.0437       78.24252 497.7797       74.37178 57.62872 5.611792 63.66293 4.828578 -6.034206      7.403200 
1 1 1 40  18 6  o 94.48244 2.963077 1094.356       67.68571 1041.795       95.18243 1148.127       96.27095 92.16377 4.268686 96.80110 4.110671 -4.637329      5.926153 
1 1 1 40  18 7  o 18.44415 5.673979 -5.299165      47.49591 -17.58085      68.56434 6.031487       65.85621 17.85194 7.930639 19.03634 8.116719 -1.184401      11.34796 
1 1 1 40  18 8  o 53.55857 4.528278 363.8294       58.28529 410.4333       82.46654 317.3129       82.38920 57.15068 5.964225 49.96646 6.815369 7.184219       9.056557 
1 1 1 40  18 9  o 50.06381 6.578561 320.5740       79.68143 0.000000       0.000000 320.5740       79.68143 ?        ?        50.06381 6.578561 ?              ?        
1 1 1 40  18 10 o 17.57020 5.533644 -12.83008      47.54153 -3.578977      68.60226 -21.37819      65.94424 18.27225 8.033032 16.86815 7.612833 1.404093       11.06729 
1 1 1 40  18 11 o 51.27213 7.228010 534.3119       64.93913 586.7543       69.79208 196.0738       177.2457 68.35854 4.219987 34.18572 13.82636 34.17281       14.45602 
1 1 1 40  18 12 o 28.97823 8.633615 127.6539       65.06328 127.6539       65.06328 0.000000       0.000000 28.97823 8.633615 ?        ?        ?              ?        
1 1 1 40  20 0  f 87.13577 3.125289 928.0209       65.85595 890.4360       91.96222 967.5848       94.35254 85.31833 4.455175 88.95322 4.384192 -3.634895      6.250578 
1 1 1 40  20 1  o 41.21049 5.176723 213.1668       50.21242 253.7275       74.82833 179.9422       67.72414 45.16385 6.848143 37.25713 7.765101 7.906719       10.35345 
1 1 1 40  20 2  o 102.0160 2.915126 1270.155       71.87148 1344.048       104.4490 1203.705       99.04908 104.8291 4.118321 99.20295 4.126896 5.626137       5.830253 
1 1 1 40  20 3  o 100.8505 2.990277 1246.348       72.89375 1178.177       102.5258 1316.034       103.6581 98.03265 4.322752 103.6684 4.132897 -5.635796      5.980554 
1 1 1 40  20 4  o 44.71092 6.645466 250.4518       71.88551 0.000000       0.000000 250.4518       71.88551 ?        ?        44.71092 6.645466 ?              ?        
1 1 1 40  20 5  o 69.86302 5.182688 605.1183       87.60014 605.1183       87.60014 0.000000       0.000000 69.86302 5.182688 ?        ?        ?              ?        
1 1 1 40  20 6  o 27.09633 6.253597 86.07962       49.01494 142.0182       74.93520 44.25018       64.79943 32.32118 9.162547 21.87148 8.513379 10.44971       12.50719 
1 1 1 40  20 7  o 66.82062 3.696504 558.7163       59.75406 549.3708       83.94836 568.3139       85.07285 66.25011 5.237492 67.39112 5.217783 -1.141014      7.393009 
1 1 1 40  20 8  o 22.79258 6.571790 40.78908       57.64736 61.43232       81.91788 20.53651       81.13905 24.29605 9.539489 21.28911 9.041673 3.006935       13.14358 
1 1 1 40  20 9  o 28.24028 7.604478 105.2415       76.07512 20.39262       131.9058 147.5312       93.12328 24.92411 11.03962 31.55644 10.46132 -6.632334      15.20896 
1 1 1 40  20 10 o 20.95780 7.010509 -105.5836      79.35657 74.44379       154.2578 -170.3748      92.54134 27.42757 12.05215 14.48802 7.164813 12.93955       14.02102 
1 1 1 40  22 0  o 67.41075 3.549244 561.1839       57.69788 560.2603       85.01364 561.9726       78.56195 67.30316 5.220966 67.51835 4.809370 -0.2151871     7.098487 
1 1 1 40  22 1  o 53.78185 4.287582 361.2130       55.54229 361.2200       82.45433 361.2072       75.15014 53.70193 6.346310 53.86178 5.766959 -0.1598473     8.575165 
1 1 1 40  22 2  o 72.12149 3.478288 644.2383       60.64347 624.9527       86.56719 662.8235       84.98045 71.02090 5.038078 73.22208 4.797054 -2.201180      6.956577 
1 1 1 40  22 3  o 79.33353 3.387959 779.6759       65.01905 785.1471       92.82607 774.4063       91.09988 79.59532 4.820367 79.07175 4.762052 0.5235748      6.775919 
1 1 1 40  22 4  o 61.62069 4.027184 481.1862       59.43375 424.0809       86.43752 532.3956       81.85372 57.92499 6.167853 65.31639 5.179812 -7.391403      8.054369 
1 1 1 40  22 5  o 32.66337 6.385190 150.0172       53.18196 114.8140       79.24431 178.8656       71.73624 29.15883 9.649536 36.16790 8.364752 -7.009069      12.77038 
1 1 1 40  22 6  o 35.92743 7.789539 178.6507       68.57251 226.6508       129.9894 160.1428       80.71721 38.33595 12.33810 33.51892 9.512047 4.817028       15.57908 
1 1 1 40  24 0  o 112.0424 4.309767 1679.479       103.9355 1821.534       125.2820 1365.854       186.1510 121.3455 4.267393 102.7394 7.489041 18.60614       8.619534 
1 1 1 41  1  0  o 269.7463 3.708802 8817.949       242.0317 8882.224       344.2680 8755.136       340.3351 270.7171 5.256282 268.7755 5.233770 1.941559       7.417604 
1 1 1 41  1  1  o 458.6301 5.845249 25542.04       648.0031 26209.05       940.7043 24939.73       893.9144 464.2921 8.374513 452.9681 8.156915 11.32394       11.69050 
1 1 1 41  1  2  o 566.7164 7.128844 39131.48       976.9445 38439.19       1356.090 39878.45       1408.623 561.5522 9.981510 571.8806 10.18092 -10.32837      14.25769 
1 1 1 41  1  3  o 299.4064 4.034379 10872.79       292.2302 10810.96       411.1984 10935.89       415.3853 298.5481 5.692916 300.2647 5.718005 -1.716583      8.068759 
1 1 1 41  1  4  o 234.7137 3.360798 6675.074       190.7986 6793.571       273.5868 6562.870       266.2239 236.7385 4.776655 232.6888 4.728999 4.049683       6.721597 
1 1 1 41  1  5  o 50.82377 4.459725 323.8038       50.82403 343.0154       62.32328 285.6633       87.81374 53.18795 4.843226 48.45958 7.489977 4.728367       8.919450 
1 1 1 41  1  6  o 49.25287 4.798403 321.6144       43.67344 337.8091       49.37725 263.4146       93.60558 52.79843 3.865482 45.70731 8.783890 7.091122       9.596806 
1 1 1 41  1  7  o 149.1220 3.138026 2746.468       98.21008 2797.723       114.0712 2599.643       193.0674 151.9698 3.102533 146.2741 5.455558 5.695740       6.276052 
1 1 1 41  1  8  o 69.00024 3.728003 601.5836       51.89594 621.3775       59.45517 538.2510       106.3498 71.58632 3.432869 66.41416 6.618718 5.172157       7.456006 
1 1 1 41  1  9  o 37.19349 5.661414 186.7962       42.35637 198.1849       47.90308 145.9845       90.68137 40.34441 4.907698 34.04258 10.20397 6.301826       11.32283 
1 1 1 41  1  10 o 37.81734 5.503883 166.6907       42.17672 155.2776       47.62218 208.2094       90.82999 35.61634 5.526597 40.01835 9.519856 -4.402016      11.00777 
1 1 1 41  1  11 o 86.15200 2.735443 905.0038       57.01565 905.5882       80.73992 904.4225       80.52511 86.17905 3.872437 86.12495 3.864560 0.5410767E-01  5.470885 
1 1 1 41  1  12 o 113.6270 2.620606 1575.321       72.00762 1532.628       99.96839 1621.357       103.8084 112.0335 3.688182 115.2204 3.723924 -3.186913      5.241211 
1 1 1 41  1  13 o 71.93994 3.132166 637.1211       54.50746 651.3407       77.75874 623.3837       76.42886 72.73194 4.418977 71.14793 4.440101 1.584007       6.264331 
1 1 1 41  1  14 o 67.32344 3.485504 566.7258       56.24272 659.7009       80.11037 476.3557       78.98011 72.93776 4.539771 61.70912 5.290127 11.22864       6.971009 
1 1 1 41  1  15 o 53.72340 4.823318 383.5368       57.84702 249.9990       79.91201 530.5452       83.84576 42.73652 8.023434 64.71027 5.355568 -21.97375      9.646637 
1 1 1 41  1  16 o 25.10935 6.736535 81.50677       57.90504 47.64628       83.08905 113.4810       80.74160 22.47871 9.319980 27.73999 9.729419 -5.261276      13.47307 
1 1 1 41  3  0  o 107.1485 2.823933 1459.349       64.95050 1552.224       77.35316 1237.359       119.5901 113.2450 2.823298 101.0521 4.891562 12.19291       5.647866 
1 1 1 41  3  1  o 187.7979 3.370943 4379.220       135.4604 4507.917       159.4358 4045.211       256.8510 192.9584 3.415229 182.6375 5.812850 10.32094       6.741885 
1 1 1 41  3  2  o 282.0506 4.396582 9919.750       269.6583 10291.18       321.2549 9033.908       496.1252 291.4340 4.556246 272.6672 7.520661 18.76682       8.793163 
1 1 1 41  3  3  o 401.8373 5.972842 19814.60       508.7270 19994.62       592.5580 19309.94       992.1177 405.9297 6.033618 397.7451 10.30994 8.184601       11.94568 
1 1 1 41  3  4  o 238.8350 3.929852 7009.902       199.0720 7109.846       232.2243 6732.897       386.6099 242.2565 3.962141 235.4135 6.787959 6.842987       7.859704 
1 1 1 41  3  5  o 175.5869 3.320991 3792.935       122.2460 3849.950       141.7659 3627.603       241.4106 178.2995 3.286392 172.8744 5.771962 5.425171       6.641982 
1 1 1 41  3  6  o 77.56012 3.175265 626.2896       49.64778 555.6300       55.17005 927.1862       113.8484 67.72623 3.367007 87.39400 5.384469 -19.66776      6.350531 
1 1 1 41  3  7  o 67.72687 3.717805 570.8022       49.07295 580.5366       55.25298 534.4438       106.7841 69.21614 3.299484 66.23759 6.663460 2.978546       7.435610 
1 1 1 41  3  8  o 209.8307 3.900564 5305.470       184.1334 5213.842       221.8039 5508.626       330.2718 207.1828 4.425001 212.4787 6.424715 -5.295914      7.801127 
1 1 1 41  3  9  o 100.7368 3.328263 1254.992       74.95004 1288.618       90.82708 1183.224       132.6906 103.0136 3.644337 98.46002 5.570292 4.553574       6.656527 
1 1 1 41  3  10 o 26.66472 6.346423 52.12555       40.60318 29.75159       44.83307 154.1939       95.75747 18.62016 7.125345 34.70928 10.50418 -16.08912      12.69285 
1 1 1 41  3  11 o 113.9410 3.296496 1668.136       75.55479 1738.887       86.73626 1445.568       153.8388 119.5969 2.997633 108.2852 5.872116 11.31173       6.592993 
1 1 1 41  3  12 o 66.84131 4.092530 551.8530       52.12122 550.8920       58.03598 555.8596       118.5051 67.17695 3.570876 66.50567 7.365057 0.6712799      8.185061 
1 1 1 41  3  13 o 38.38091 6.322047 176.0336       47.44762 164.5916       52.30905 229.1493       112.7037 36.28076 5.959341 40.48106 11.15165 -4.200302      12.64409 
1 1 1 41  3  14 o 112.0211 3.489753 1502.861       75.89551 1462.232       84.53918 1671.624       172.2963 109.2417 3.198654 114.8006 6.203395 -5.558899      6.979506 
1 1 1 41  3  15 o 51.09943 5.346462 358.6504       58.55069 576.7477       86.42265 173.6133       79.60343 67.44558 5.296290 34.75328 9.289130 32.69230       10.69292 
1 1 1 41  3  16 o 25.44425 6.411744 72.16727       57.08207 162.2684       82.41741 -10.90011      79.13507 32.37495 9.733289 18.51355 8.348948 13.86140       12.82349 
1 1 1 41  5  0  o 282.3948 4.472329 9605.198       261.9980 9539.359       300.6157 9813.208       534.3328 280.6114 4.427963 284.1783 7.771747 -3.566864      8.944658 
1 1 1 41  5  1  o 350.8270 5.314413 15035.61       393.0938 15121.12       456.1389 14788.82       774.9149 353.1594 5.338559 348.4946 9.190851 4.664856       10.62883 
1 1 1 41  5  2  o 267.0736 4.218427 8974.665       247.8593 9485.568       299.3035 7859.607       442.1715 279.7966 4.421474 254.3506 7.185478 25.44594       8.436854 
1 1 1 41  5  3  o 134.4708 3.078103 2185.783       84.86291 2181.116       96.95562 2201.071       175.4729 134.2244 2.985652 134.7171 5.383749 -0.4927216     6.156206 
1 1 1 41  5  4  o 176.5829 3.343742 3837.675       123.8647 3897.627       143.7131 3664.486       244.2619 179.4037 3.311026 173.7621 5.810297 5.641602       6.687485 
1 1 1 41  5  5  o 94.85387 3.280998 1137.975       62.18863 1177.529       70.99916 1007.615       128.8935 98.61360 2.975871 91.09414 5.848417 7.519463       6.561996 
1 1 1 41  5  6  o 222.4160 3.783222 6060.422       176.9419 6116.185       205.2200 5898.870       349.3022 224.6411 3.775967 220.1909 6.556917 4.450165       7.566444 
1 1 1 41  5  7  o 218.8336 3.746084 5950.301       174.5262 6100.745       204.6475 5549.078       334.2039 224.2870 3.771379 213.3802 6.473738 10.90681       7.492167 
1 1 1 41  5  8  o 94.01230 3.321894 1087.091       62.51436 1097.081       70.93566 1052.350       132.2804 95.12717 3.082178 92.89744 5.885584 2.229729       6.643788 
1 1 1 41  5  9  o 175.3850 3.415294 3786.621       123.1437 3821.189       141.3202 3677.573       251.0024 177.4183 3.292331 173.3517 5.984772 4.066666       6.830589 
1 1 1 41  5  10 o 66.14112 3.843639 506.8498       49.55166 487.8261       55.09388 587.3885       113.3599 63.31778 3.596461 68.96447 6.794095 -5.646694      7.687279 
1 1 1 41  5  11 o 32.34835 6.625362 100.2216       43.77739 78.93720       47.77142 211.7787       109.3669 24.92951 7.391207 39.76720 10.99781 -14.83769      13.25072 
1 1 1 41  5  12 o 66.36844 4.196208 521.7543       53.33453 506.0880       59.09197 590.6008       123.8762 64.32465 3.797071 68.41223 7.484311 -4.087578      8.392417 
1 1 1 41  5  13 o 24.20173 6.835047 30.32274       47.11489 14.36091       51.54955 111.3028       116.1108 17.71609 7.342813 30.68737 11.53059 -12.97128      13.67009 
1 1 1 41  5  14 o 23.03919 6.719503 -8.930788      49.17345 -38.97196      54.04937 135.3956       118.4691 14.24587 6.600231 31.83251 11.70657 -17.58664      13.43901 
1 1 1 41  5  15 f 22.10098 6.499808 38.70908       56.89473 72.34611       62.01093 -140.2737      143.0425 23.77586 8.507609 20.42610 9.829070 3.349760       12.99962 
1 1 1 41  5  16 o 21.64712 6.311157 30.91549       63.74229 96.39267       69.57450 -311.2433      159.0446 25.67901 9.030168 17.61523 8.819234 8.063782       12.62231 
1 1 1 41  7  0  o 251.8224 4.072310 7830.376       219.5468 7997.015       257.9234 7392.029       418.3228 256.9363 4.149187 246.7085 7.008502 10.22783       8.144621 
1 1 1 41  7  1  o 309.0168 4.781430 11720.68       313.7296 11859.90       365.9895 11334.92       609.2216 312.8055 4.836063 305.2281 8.249896 7.577454       9.562860 
1 1 1 41  7  2  o 144.8939 3.109678 2516.166       92.75373 2491.421       105.9635 2597.264       191.8323 143.4518 3.053149 146.3360 5.418364 -2.884216      6.219356 
1 1 1 41  7  3  o 127.6118 3.138318 2006.948       82.22977 2037.609       94.43139 1910.767       167.2500 129.7279 3.008712 125.4957 5.508522 4.232231       6.276637 
1 1 1 41  7  4  o 27.61256 6.576108 73.00507       41.57223 64.46281       45.52531 115.8834       101.9966 23.16806 7.284789 32.05706 10.95046 -8.888998      13.15222 
1 1 1 41  7  5  o 132.5598 3.325866 2077.235       98.00332 1998.733       116.3561 2268.888       181.8057 128.4273 3.744808 136.6923 5.497448 -8.264969      6.651731 
1 1 1 41  7  6  o 218.9209 3.780792 5856.501       172.7273 5888.702       199.3888 5759.667       345.7644 220.3881 3.739472 217.4536 6.572207 2.934509       7.561584 
1 1 1 41  7  7  o 123.3966 3.150640 1826.321       77.25827 1809.090       87.00758 1890.541       167.9738 122.1809 2.943414 124.6123 5.571576 -2.431404      6.301281 
1 1 1 41  7  8  o 89.32848 3.428496 1015.339       59.71892 1048.282       67.54890 897.4420       127.7881 92.97399 3.002995 85.68296 6.164443 7.291031       6.856991 
1 1 1 41  7  9  o 141.8302 3.326505 2496.312       94.48174 2530.721       107.3807 2378.346       198.8241 144.3761 3.074177 139.2844 5.900167 5.091675       6.653009 
1 1 1 41  7  10 o 69.13390 4.154237 587.9564       51.51059 587.7144       56.40108 589.1731       126.4660 69.50014 3.354281 68.76767 7.601286 0.7324677      8.308475 
1 1 1 41  7  11 o 24.55672 6.651046 40.93967       41.74860 29.84174       45.20833 105.2350       108.8146 18.55905 7.142274 30.55438 11.22201 -11.99534      13.30209 
1 1 1 41  7  12 o 60.38026 4.506600 446.0691       52.53337 439.2655       58.58250 474.0036       118.7049 59.83982 4.046461 60.92070 8.053814 -1.080875      9.013200 
1 1 1 41  7  13 o 49.44395 5.819907 286.2957       53.19975 265.2236       58.49397 387.1505       127.9692 46.11100 5.243296 52.77689 10.39197 -6.665894      11.63981 
1 1 1 41  7  14 o 75.13082 4.771948 746.1046       64.09809 755.8672       70.58283 700.1785       153.0893 78.23578 3.728991 72.02586 8.785249 6.209915       9.543897 
1 1 1 41  7  15 o 29.07141 7.720832 102.7293       55.20307 95.49180       58.91552 154.7888       158.0099 26.08514 8.297004 32.05769 13.02324 -5.972553      15.44166 
1 1 1 41  7  16 o 26.55450 7.635320 101.2544       64.09121 105.9186       68.22449 66.22249       186.9760 26.30380 8.956054 26.80520 12.36857 -0.5014019     15.27064 
1 1 1 41  9  0  o 74.59352 3.650915 720.2133       53.17515 756.0481       60.46265 597.8584       111.7237 79.02139 3.162570 70.16565 6.581404 8.855736       7.301830 
1 1 1 41  9  1  o 100.9521 3.255901 1263.991       65.13305 1286.231       73.77202 1185.366       138.7085 103.0725 2.958330 98.83170 5.801021 4.240784       6.511801 
1 1 1 41  9  2  o 128.1358 3.240813 2066.757       85.00575 2139.380       98.02406 1846.520       170.7036 132.9246 3.048070 123.3471 5.720204 9.577507       6.481626 
1 1 1 41  9  3  o 141.5548 3.188591 2482.644       93.49683 2534.907       107.9731 2325.996       186.9298 144.6826 3.084588 138.4270 5.581557 6.255600       6.377182 
1 1 1 41  9  4  o 55.13915 5.088089 418.3250       48.24103 443.2346       53.65611 313.2659       110.1925 60.47948 3.666982 49.79881 9.492516 10.68067       10.17618 
1 1 1 41  9  5  o 224.8047 3.884871 6101.626       179.2563 6065.531       204.7486 6220.107       370.9558 223.6704 3.783643 225.9390 6.786231 -2.268600      7.769742 
1 1 1 41  9  6  o 200.4509 3.604345 4933.128       150.6456 4980.184       174.0160 4792.386       300.9517 202.6455 3.549360 198.2563 6.274334 4.389221       7.208691 
1 1 1 41  9  7  o 18.33424 5.848928 -39.12781      39.45042 -50.56084      42.90313 23.45033       100.3736 11.88325 5.623920 24.78524 10.25726 -12.90199      11.69786 
1 1 1 41  9  8  o 130.6273 3.271702 2092.648       86.18983 2103.406       98.00313 2055.919       181.0815 131.6449 3.077043 129.6096 5.774769 2.035339       6.543405 
1 1 1 41  9  9  o 35.91385 6.493363 156.7285       44.99038 154.6908       48.77460 168.3522       116.4942 35.49104 5.680319 36.33665 11.67857 -0.8456154     12.98673 
1 1 1 41  9  10 o 54.22102 4.630747 305.8170       47.67214 274.8045       52.00504 469.0066       119.2953 47.36824 4.537910 61.07379 8.073577 -13.70555      9.261495 
1 1 1 41  9  11 f 34.79137 6.407524 174.6921       46.04519 187.5520       49.86105 100.1904       120.0123 38.95975 5.289845 30.62299 11.67232 8.336765       12.81505 
1 1 1 41  9  12 o 60.79354 4.884064 246.9325       50.89296 125.4425       54.66439 1037.359       139.4328 30.78770 7.424949 90.79939 6.347162 -60.01169      9.768128 
1 1 1 41  9  13 o 29.97633 7.245703 53.67229       49.94912 20.26558       53.85700 259.1315       133.5636 18.39657 7.552921 41.55609 12.36747 -23.15952      14.49141 
1 1 1 41  9  14 o 53.45174 6.982687 394.7714       60.26590 389.9050       64.85113 425.5800       163.1739 55.66089 4.815762 51.24259 13.10878 4.418301       13.96537 
1 1 1 41  9  15 o 18.73267 6.468310 -44.87624      55.71840 -37.39819      58.58362 -115.7644      180.3720 14.63948 6.812890 22.82585 10.99730 -8.186371      12.93662 
1 1 1 41  11 0  o 214.0849 3.216873 5555.294       166.5876 5514.506       233.0266 5597.929       238.2409 213.2847 4.515893 214.8852 4.582554 -1.600494      6.433746 
1 1 1 41  11 1  o 128.9014 2.689657 2012.127       83.85333 2054.205       120.4499 1972.555       116.8070 130.2073 3.823567 127.5955 3.783829 2.611847       5.379314 
1 1 1 41  11 2  o 137.5044 2.694391 2291.268       89.63479 2296.822       126.6312 2285.691       126.8947 137.6720 3.801831 137.3369 3.819039 0.3350983      5.388783 
1 1 1 41  11 3  o 171.8081 3.473625 3644.084       122.3528 3700.294       140.4335 3466.984       249.2734 174.7621 3.321399 168.8542 6.101852 5.907837       6.947251 
1 1 1 41  11 4  o 145.4548 3.449182 2688.317       100.1739 2788.616       114.4287 2359.310       207.2482 151.7043 3.117703 139.2053 6.153646 12.49895       6.898365 
1 1 1 41  11 5  o 198.8636 3.664429 4808.314       149.0533 4806.282       170.2303 4814.991       308.5737 199.0693 3.534517 198.6580 6.420231 0.4113770      7.328859 
1 1 1 41  11 6  f 188.8770 3.542863 4413.085       139.1769 4482.256       160.8486 4207.020       277.6250 192.1913 3.459243 185.5628 6.183943 6.628586       7.085726 
1 1 1 41  11 7  o 77.93631 4.169318 811.9685       57.81820 849.9579       64.00764 643.5455       134.7724 83.67767 3.161695 72.19496 7.715991 11.48270       8.338635 
1 1 1 41  11 8  o 67.34082 4.652176 605.4647       56.27723 632.0046       62.42007 490.1844       130.0924 72.07045 3.579849 62.61119 8.588112 9.459255       9.304353 
1 1 1 41  11 9  o 74.99249 4.464863 714.5134       58.26506 723.2581       63.57744 668.6496       145.6020 77.06398 3.409961 72.92100 8.253011 4.142982       8.929727 
1 1 1 41  11 10 o 22.34831 6.761328 14.80085       45.05531 11.05733       48.14378 41.20166       127.8525 17.06816 7.086979 27.62845 11.51681 -10.56029      13.52266 
1 1 1 41  11 11 f 56.23332 6.343473 467.1861       54.82211 488.0588       59.35101 345.8656       143.0886 63.08046 3.888938 49.38619 12.07621 13.69427       12.68695 
1 1 1 41  11 12 o 72.23328 5.059891 677.0280       62.08223 680.7617       67.40708 656.1570       159.3683 74.40071 3.744778 70.06583 9.401416 4.334877       10.11978 
1 1 1 41  11 13 o 42.40225 7.184866 219.3012       55.13789 203.2376       59.34242 320.7614       149.1390 39.83671 6.157146 44.96779 12.98379 -5.131084      14.36973 
1 1 1 41  11 14 o 33.09457 7.380729 177.0941       59.59372 189.4614       63.41301 83.60500       174.3502 37.04326 7.335164 29.14589 12.81000 7.897366       14.76146 
1 1 1 41  11 15 o 26.01153 7.654078 89.29768       61.31568 91.12908       64.57036 72.49256       195.5966 24.79082 8.700394 27.23223 12.59535 -2.441414      15.30816 
1 1 1 41  13 0  o 279.8376 3.870931 9485.234       261.5777 9116.184       356.8232 9913.955       384.5888 273.9879 5.382938 285.6873 5.564208 -11.69943      7.741862 
1 1 1 41  13 1  o 134.6800 2.732828 2193.132       88.87988 2107.274       121.2620 2292.804       130.6529 131.8442 3.801557 137.5159 3.927028 -5.671707      5.465655 
1 1 1 41  13 2  o 134.2654 2.754240 2185.740       89.42745 2279.662       127.5790 2095.015       125.3885 137.1046 3.846139 131.4263 3.943421 5.678284       5.508480 
1 1 1 41  13 3  f 187.2492 3.019325 4255.639       136.7408 4214.489       190.6548 4299.229       196.2268 186.3237 4.229387 188.1747 4.310174 -1.851044      6.038651 
1 1 1 41  13 4  o 153.6890 2.807034 2865.114       104.3230 2982.792       150.0838 2755.104       145.1117 156.7412 3.957751 150.6368 3.981705 6.104401       5.614068 
1 1 1 41  13 5  o 173.9371 2.921437 3671.575       122.7802 3558.371       168.5220 3799.649       179.2490 171.0971 4.071099 176.7772 4.191102 -5.680115      5.842874 
1 1 1 41  13 6  o 50.74694 5.653426 329.7079       48.84442 332.3682       53.37481 316.0024       121.1483 52.24360 4.222805 49.25029 10.48870 2.993309       11.30685 
1 1 1 41  13 7  o 23.74866 6.061219 64.02164       45.11887 91.81586       48.76062 -101.4753      118.9836 26.77853 7.317878 20.71878 9.664480 6.059755       12.12244 
1 1 1 41  13 8  o 100.4130 3.790225 1204.670       70.54329 1185.286       77.60693 1296.847       169.2352 98.68109 3.250606 102.1449 6.848122 -3.463821      7.580450 
1 1 1 41  13 9  o 23.78198 6.850564 -88.92052      46.07646 -123.1098      48.87444 184.2950       138.1622 10.09475 5.028251 37.46922 12.74510 -27.37447      13.70113 
1 1 1 41  13 10 o 82.18622 4.998054 954.7292       64.45287 994.5410       69.66254 718.0250       169.8623 90.26055 3.190061 74.11188 9.473419 16.14867       9.996107 
1 1 1 41  13 11 o 26.54792 7.326818 68.52179       49.87187 67.93407       53.05715 72.98037       146.1360 23.38442 7.898336 29.71142 12.34282 -6.326994      14.65364 
1 1 1 41  13 12 o 41.42454 7.594509 200.1834       55.95329 181.3036       59.71606 335.9905       160.1597 36.94653 6.935308 45.90255 13.51324 -8.956024      15.18902 
1 1 1 41  13 13 o 68.49615 6.539690 644.2979       66.86818 639.1871       71.47060 680.1904       189.4008 71.51299 4.130857 65.47932 12.40992 6.033661       13.07938 
1 1 1 41  13 14 o 22.35452 7.026423 38.97176       58.97987 53.14429       61.91209 -100.1071      193.9467 21.22753 8.305242 23.48151 11.33602 -2.253979      14.05285 
1 1 1 41  15 0  o 59.83199 3.568471 439.9737       51.08767 493.0414       70.42450 381.0272       74.22280 63.70892 4.569001 55.95507 5.482715 7.753849       7.136941 
1 1 1 41  15 1  o 201.4460 3.149295 4930.645       153.4686 4960.175       215.7262 4900.386       218.3728 202.0647 4.412758 200.8272 4.494420 1.237411       6.298591 
1 1 1 41  15 2  o 183.6692 4.218434 4098.641       187.4519 4098.641       187.4519 0.000000       0.000000 183.6692 4.218434 ?        ?        ?              ?        
1 1 1 41  15 3  o 95.15440 2.800992 1100.308       64.48164 1101.131       90.95047 1099.476       91.43307 95.19151 3.949157 95.11729 3.973210 0.7421112E-01  5.601985 
1 1 1 41  15 4  o 56.54231 3.559783 390.0961       48.68557 395.0605       69.75210 385.3801       67.98548 56.88964 5.067827 56.19498 5.000533 0.6946564      7.119565 
1 1 1 41  15 5  o 60.18536 3.466858 447.2938       49.90302 379.3705       71.77678 510.8460       69.42882 55.66058 5.330082 64.71015 4.434708 -9.049572      6.933716 
1 1 1 41  15 6  o 49.52557 3.980158 301.1096       47.40468 347.9674       68.69743 258.5152       65.49767 53.23898 5.333453 45.81216 5.909390 7.426815       7.960315 
1 1 1 41  15 7  o 111.3810 3.881052 1510.207       92.25061 1489.325       107.3188 1569.304       180.5373 110.4023 4.017868 112.3598 6.641311 -1.957504      7.762105 
1 1 1 41  15 8  o 31.33134 7.109526 131.2535       51.13840 142.2322       54.49117 50.18441       148.0740 33.10168 7.021721 29.56099 12.36434 3.540691       14.21905 
1 1 1 41  15 9  f 57.16499 5.992352 374.7124       55.48795 355.9488       59.34419 505.1755       156.4815 53.72839 4.565330 60.60160 11.08111 -6.873215      11.98470 
1 1 1 41  15 10 o 41.07265 7.287486 212.0813       53.39420 205.2779       57.00077 260.7971       152.5291 40.40868 5.830472 41.73661 13.35797 -1.327927      14.57497 
1 1 1 41  15 11 o 108.0352 4.043001 1407.809       78.40902 1373.435       85.50391 1589.530       196.5950 105.6995 3.343572 110.3710 7.362333 -4.671448      8.086001 
1 1 1 41  15 12 o 24.28277 6.893054 67.53201       55.24115 88.58475       58.39265 -111.8620      170.4543 25.42596 8.276978 23.13957 11.02490 2.286390       13.78611 
1 1 1 41  15 13 o 74.46384 6.279796 747.6481       71.19457 730.9282       75.71737 875.1934       209.1270 76.08805 4.113171 72.83961 11.86698 3.248436       12.55959 
1 1 1 41  17 0  o 98.94744 2.842760 1190.986       68.01452 1225.925       95.65287 1155.255       96.73030 100.4263 3.936845 97.46859 4.101999 2.957703       5.685521 
1 1 1 41  17 1  o 84.33087 2.969467 861.9376       60.42514 817.7383       81.89337 914.7569       89.52361 81.97630 4.129126 86.68545 4.268636 -4.709145      5.938934 
1 1 1 41  17 2  o 99.54523 2.830660 1202.578       68.05522 1143.868       92.97022 1270.354       99.89128 96.94183 3.963970 102.1486 4.041966 -5.206802      5.661321 
1 1 1 41  17 3  o 69.21759 3.364808 587.2911       55.99942 666.3690       79.59959 509.8003       78.79680 73.88876 4.452769 64.54642 5.045847 9.342339       6.729615 
1 1 1 41  17 4  o 89.64984 2.924126 980.9904       63.41789 994.9516       89.65326 967.0084       89.71966 90.29430 4.103963 89.00538 4.166478 1.288918       5.848252 
1 1 1 41  17 5  o 36.06881 5.227846 165.4049       46.81294 287.0211       69.20696 62.82584       63.55993 48.19985 5.934741 23.93776 8.608155 24.26209       10.45569 
1 1 1 41  17 6  o 62.06541 3.596411 474.4877       53.99597 465.7982       76.39122 483.1639       76.33248 61.48673 5.135229 62.64408 5.036479 -1.157352      7.192822 
1 1 1 41  17 7  o 63.34411 3.742520 498.3322       57.06393 442.5427       80.80770 553.8268       80.59390 59.71143 5.593620 66.97678 4.973655 -7.265354      7.485040 
1 1 1 41  17 8  o 43.58105 5.339114 247.5030       54.65807 277.0141       76.73856 217.1151       77.87022 46.78257 6.779962 40.37952 8.249647 6.403046       10.67823 
1 1 1 41  17 9  o 83.15903 3.239276 857.7689       65.11890 811.4585       91.16244 906.0176       93.05064 80.83101 4.661607 85.48706 4.499007 -4.656052      6.478553 
1 1 1 41  17 10 o 90.50703 4.315690 966.0608       70.21497 927.5890       76.36556 1176.443       178.5791 86.69684 3.640760 94.31723 7.825955 -7.620392      8.631379 
1 1 1 41  17 11 o 63.08305 6.695169 593.4261       67.28159 607.5380       73.34452 518.5009       169.0011 69.58442 4.356656 56.58168 12.66178 13.00274       13.39034 
1 1 1 41  17 12 o 34.19841 6.828488 214.8612       61.14944 239.7389       64.85054 15.38370       183.6350 42.34995 6.329339 26.04686 12.10175 16.30309       13.65698 
1 1 1 41  19 0  o 21.79463 5.883525 35.61491       45.84507 -8.075977      67.37854 73.27881       62.55886 18.52882 8.057122 25.06043 8.575912 -6.531605      11.76705 
1 1 1 41  19 1  o 27.51500 6.020121 92.75850       46.20298 53.05886       65.68365 131.6401       65.00340 23.21144 8.682095 31.81856 8.341981 -8.607115      12.04024 
1 1 1 41  19 2  o 93.56169 2.987977 1064.751       67.41146 952.7982       92.08070 1194.055       98.95887 88.26794 4.311847 98.85545 4.137631 -10.58751      5.975954 
1 1 1 41  19 3  o 44.74761 5.164859 266.8766       51.81803 173.3080       75.70344 349.3617       71.07854 36.27785 8.730781 53.21738 5.520555 -16.93953      10.32972 
1 1 1 41  19 4  o 35.63088 5.997258 169.6117       50.94009 147.6396       76.61552 187.0206       68.19741 33.37122 9.195112 37.89055 7.701838 -4.519333      11.99452 
1 1 1 41  19 5  o 31.92159 6.379324 133.7140       51.40119 156.5152       77.01954 115.4026       69.02096 34.18927 9.136596 29.65391 8.905375 4.535364       12.75865 
1 1 1 41  19 6  o 53.38793 4.345764 360.5763       55.59316 320.1905       80.97963 396.5764       76.45641 50.37549 6.644376 56.40036 5.603117 -6.024872      8.691527 
1 1 1 41  19 7  o 43.28819 5.307037 243.0627       53.10796 330.7868       78.96459 170.6101       71.76287 51.10566 6.386473 35.47071 8.477709 15.63495       10.61407 
1 1 1 41  19 8  o 30.48996 7.771331 114.6293       70.35728 164.1880       120.8896 89.24450       86.51994 33.97284 11.90567 27.00708 9.991461 6.965763       15.54266 
1 1 1 41  19 9  o 35.90236 6.304154 186.0630       55.04023 214.8229       74.13692 150.7443       82.15665 39.49684 8.031901 32.30788 9.718951 7.188957       12.60831 
1 1 1 41  19 10 o 62.35487 6.727432 589.8001       90.98309 451.5170       145.9516 677.6918       116.3585 53.26690 11.64968 71.44286 6.731892 -18.17596      13.45486 
1 1 1 41  19 11 o 37.05277 10.21387 223.3500       94.50961 223.3500       94.50961 0.000000       0.000000 37.05277 10.21387 ?        ?        ?              ?        
1 1 1 41  21 0  o 88.18590 3.119683 955.3789       66.46085 915.5649       95.19205 993.2431       92.83205 86.34991 4.556554 90.02189 4.262334 -3.671982      6.239365 
1 1 1 41  21 1  o 50.48491 4.787889 324.6167       53.76182 471.4642       79.57687 201.3105       72.91992 61.75530 5.326112 39.21453 7.957892 22.54077       9.575778 
1 1 1 41  21 2  o 79.24716 3.374526 777.7671       64.28094 680.8331       91.21266 873.4124       90.60435 74.21996 5.079631 84.27437 4.443766 -10.05441      6.749053 
1 1 1 41  21 3  o 96.81324 3.094609 1155.727       72.24207 1043.133       101.7071 1270.374       102.6305 91.97014 4.570906 101.6563 4.172918 -9.686203      6.189218 
1 1 1 41  21 4  o 68.43259 3.679432 576.5746       60.54196 673.2364       90.52680 498.3594       81.43207 73.61155 5.083103 63.25363 5.321177 10.35792       7.358863 
1 1 1 41  21 5  o 42.76767 5.463902 252.5421       53.05103 178.5769       80.50046 309.3271       70.53442 35.98051 9.208961 49.55483 5.883190 -13.57433      10.92780 
1 1 1 41  21 6  o 28.92747 6.460317 111.8125       50.54378 135.8694       76.36543 93.05835       67.42578 31.26013 9.362575 26.59481 8.904212 4.665318       12.92063 
1 1 1 41  21 7  o 32.16800 7.632155 153.5180       70.29004 106.6627       127.3124 174.0631       84.30353 29.60788 11.80705 34.72812 9.674330 -5.120243      15.26431 
1 1 1 41  23 0  o 44.59097 5.281306 261.9436       53.93203 180.2364       75.04024 349.2420       77.56525 36.49566 8.633677 52.68627 6.085096 -16.19061      10.56261 
1 1 1 41  23 1  o 45.74038 5.267324 270.7857       55.67440 355.7305       82.53378 199.8576       75.41753 52.97784 6.439250 38.50291 8.337559 14.47492       10.53465 
1 1 1 41  23 2  o 54.57456 4.739162 380.4041       62.46123 409.9532       89.16607 351.9334       87.52386 56.74341 6.495041 52.40571 6.903121 4.337696       9.478325 
1 1 1 42  0  0  o 186.3418 2.916695 4209.168       185.7539 4209.168       185.7539 4209.168       185.7539 186.3418 4.124830 186.3418 4.124830 0.000000       0.000000 
1 1 1 42  0  1  o 46.92573 3.691425 276.3830       57.39183 276.3830       57.39183 276.3830       57.39183 46.92573 5.220464 46.92573 5.220464 0.000000       0.000000 
1 1 1 42  0  2  o 43.47062 4.369172 242.3735       61.19030 242.3735       61.19030 242.3735       61.19030 43.47062 6.178942 43.47062 6.178942 0.000000       0.000000 
1 1 1 42  0  3  o 221.0869 3.238514 5925.835       244.7402 5925.835       244.7402 5925.835       244.7402 221.0869 4.579951 221.0869 4.579951 0.000000       0.000000 
1 1 1 42  0  4  o 218.9908 3.233773 5814.660       242.0611 5814.660       242.0611 5814.660       242.0611 218.9908 4.573245 218.9908 4.573245 0.000000       0.000000 
1 1 1 42  0  5  o 162.4926 2.780722 3202.260       154.3950 3202.260       154.3950 3202.260       154.3950 162.4926 3.932534 162.4926 3.932534 0.000000       0.000000 
1 1 1 42  0  6  o 145.4039 2.674016 2565.064       132.8290 2565.064       132.8290 2565.064       132.8290 145.4039 3.781630 145.4039 3.781630 0.000000       0.000000 
1 1 1 42  0  7  o 164.0941 2.808446 3267.330       157.4712 3267.330       157.4712 3267.330       157.4712 164.0941 3.971742 164.0941 3.971742 0.000000       0.000000 
1 1 1 42  0  8  o 126.1393 3.841823 1941.701       165.1080 1941.701       165.1080 1941.701       165.1080 126.1393 5.433158 126.1393 5.433158 0.000000       0.000000 
1 1 1 42  0  9  o 95.75927 2.654574 1116.764       86.67109 1116.764       86.67109 1116.764       86.67109 95.75927 3.754134 95.75927 3.754134 0.000000       0.000000 
1 1 1 42  0  10 o 47.76950 3.926882 288.7854       61.91907 288.7854       61.91907 288.7854       61.91907 47.76950 5.553449 47.76950 5.553449 0.000000       0.000000 
1 1 1 42  0  11 o 30.06132 6.590793 138.7588       59.36454 138.7588       59.36454 138.7588       59.36454 30.06132 9.320788 30.06132 9.320788 0.000000       0.000000 
1 1 1 42  0  12 o 36.47552 5.865734 186.9531       63.80915 186.9531       63.80915 186.9531       63.80915 36.47552 8.295401 36.47552 8.295401 0.000000       0.000000 
1 1 1 42  0  13 o 29.51741 7.054571 140.2772       63.74662 140.2772       63.74662 140.2772       63.74662 29.51741 9.976670 29.51741 9.976670 0.000000       0.000000 
1 1 1 42  0  14 o 12.24913 5.783951 -17.29054      66.43445 -17.29054      66.43445 -17.29054      66.43445 12.24913 8.179742 12.24913 8.179742 0.000000       0.000000 
1 1 1 42  0  15 o 46.73928 5.462501 296.9844       80.18048 296.9844       80.18048 296.9844       80.18048 46.73928 7.725142 46.73928 7.725142 0.000000       0.000000 
1 1 1 42  0  16 o 85.07487 3.625725 914.5331       104.6611 914.5331       104.6611 914.5331       104.6611 85.07487 5.127549 85.07487 5.127549 0.000000       0.000000 
1 1 1 42  2  0  o 276.7580 4.340014 9435.720       256.7874 9606.757       301.1774 8980.369       491.4174 281.6059 4.420570 271.9101 7.470038 9.695740       8.680029 
1 1 1 42  2  1  o 454.2786 6.693670 25199.13       639.0892 25263.88       739.9094 25008.92       1268.191 456.2076 6.703686 452.3496 11.58799 3.858063       13.38734 
1 1 1 42  2  2  o 356.5303 5.404774 15399.73       401.8208 15350.70       462.6614 15550.27       810.6268 355.8077 5.374593 357.2529 9.378704 -1.445221      10.80955 
1 1 1 42  2  3  o 351.0288 5.328318 14980.14       391.7193 14980.46       452.3619 14979.18       783.2129 351.4712 5.319783 350.5865 9.233840 0.8847351      10.65664 
1 1 1 42  2  4  o 75.08611 3.163341 663.0450       50.29185 642.5447       57.97234 725.4016       101.1071 72.84321 3.289497 77.32900 5.404269 -4.485794      6.326683 
1 1 1 42  2  5  o 283.6745 4.493433 9717.266       264.6685 9660.931       303.9147 9894.110       538.4653 282.2981 4.449810 285.0510 7.807876 -2.752899      8.986865 
1 1 1 42  2  6  o 229.8339 3.851183 6484.464       186.8745 6559.605       217.3255 6271.267       366.0677 232.6375 3.861257 227.0303 6.664618 5.607147       7.702365 
1 1 1 42  2  7  o 35.71231 5.615689 169.1117       40.16386 177.6064       45.05391 136.2284       88.64337 38.23857 4.869995 33.18605 10.12062 5.052525       11.23138 
1 1 1 42  2  8  o 63.29159 4.300662 526.4174       58.42570 584.6023       70.68668 400.9518       103.7995 69.37727 4.211319 57.20591 7.499837 12.17136       8.601324 
1 1 1 42  2  9  o 51.37715 4.236963 284.3756       43.69022 257.8967       48.60855 395.7168       99.67590 46.03358 4.364511 56.72072 7.263502 -10.68714      8.473926 
1 1 1 42  2  10 o 109.2766 3.154642 1466.257       69.92802 1473.875       79.71096 1440.809       145.6842 110.1613 2.990795 108.3918 5.555376 1.769455       6.309284 
1 1 1 42  2  11 o 72.86869 3.739989 692.7031       53.75755 726.0175       61.37878 582.9863       111.3881 77.22468 3.285185 68.51270 6.719942 8.711975       7.479977 
1 1 1 42  2  12 o 42.55317 5.969939 274.6053       46.76382 299.5571       52.07269 170.6127       106.3066 49.40615 4.356389 35.70018 11.11677 13.70598       11.93988 
1 1 1 42  2  13 o 84.54072 2.905111 878.7250       59.35493 823.2386       82.85123 937.2286       85.07399 81.77322 4.187796 87.30822 4.027535 -5.535004      5.810222 
1 1 1 42  2  14 o 66.20164 3.556704 546.4199       56.81667 494.2647       78.19302 604.7577       82.69789 62.81506 5.145195 69.58821 4.911979 -6.773148      7.113408 
1 1 1 42  2  15 o 78.34074 3.447861 777.7933       64.92903 874.0527       91.74526 681.2047       91.90198 83.43102 4.545208 73.25047 5.185757 10.18056       6.895722 
1 1 1 42  2  16 o 17.71996 5.749607 -38.32706      58.50403 -101.4166      85.93372 16.17678       79.87274 15.49085 7.494592 19.94908 8.721412 -4.458228      11.49921 
1 1 1 42  4  0  o 386.8555 5.816833 18072.19       466.3769 17955.53       535.0066 18441.40       951.7870 384.7827 5.747001 388.9283 10.11505 -4.145599      11.63367 
1 1 1 42  4  1  o 502.1581 7.468126 29975.46       755.6435 29349.94       853.5419 32242.71       1624.991 491.5559 7.177110 512.7602 13.09888 -21.20425      14.93625 
1 1 1 42  4  2  f 283.5293 4.478940 9707.169       264.4456 9658.761       304.1228 9857.228       535.4551 282.3313 4.452332 284.7273 7.773052 -2.395966      8.957879 
1 1 1 42  4  3  o 331.6998 5.086546 13366.93       352.7257 13360.99       406.9196 13384.89       707.4006 331.9481 5.066828 331.4515 8.821512 0.4965210      10.17309 
1 1 1 42  4  4  o 154.9993 3.157758 2944.899       102.0580 2977.649       117.9167 2847.115       203.7521 156.8160 3.108011 153.1826 5.497818 3.633453       6.315516 
1 1 1 42  4  5  o 87.08429 3.234313 894.4155       56.37004 875.5549       63.47649 964.7830       122.6089 85.02902 3.085627 89.13956 5.685246 -4.110542      6.468626 
1 1 1 42  4  6  o 209.9885 3.661813 5376.121       160.5839 5397.723       185.3582 5311.125       321.5223 211.0397 3.630324 208.9373 6.360522 2.102325       7.323626 
1 1 1 42  4  7  f 220.2541 3.749810 6021.521       175.8715 6164.463       206.1658 5639.500       337.0383 225.4390 3.779943 215.0691 6.477372 10.36983       7.499621 
1 1 1 42  4  8  o 103.2298 3.355124 1285.590       76.89537 1269.735       91.74667 1323.022       140.9696 102.2794 3.707659 104.1801 5.592914 -1.900734      6.710248 
1 1 1 42  4  9  o 90.71272 3.364369 1052.128       60.39874 1092.075       68.79518 917.7870       126.1587 94.86649 2.997387 86.55895 6.024249 8.307541       6.728737 
1 1 1 42  4  10 o 95.36502 3.418252 1150.703       64.50869 1181.239       73.25265 1045.211       136.1520 98.59509 3.070900 92.13496 6.107975 6.460136       6.836504 
1 1 1 42  4  11 o 76.86727 3.786037 746.3906       55.59920 759.1251       62.24590 696.1332       123.6575 78.95643 3.258524 74.77811 6.835082 4.178314       7.572075 
1 1 1 42  4  12 o 28.20669 6.282105 111.3282       45.24632 129.5482       49.17013 10.64485       115.5864 31.61900 6.639008 24.79437 10.66691 6.824627       12.56421 
1 1 1 42  4  13 o 56.39253 4.937714 384.9881       52.48172 373.4852       57.93589 437.5967       123.9003 55.01184 4.353006 57.77323 8.864277 -2.761391      9.875427 
1 1 1 42  4  14 o 20.46009 6.589747 -27.45424      53.46433 -39.62138      58.74067 31.29090       129.0716 14.93178 6.904849 25.98841 11.22596 -11.05664      13.17949 
1 1 1 42  4  15 o 51.79646 7.086769 414.8861       60.98708 425.7747       66.19306 353.7180       156.8878 58.08273 4.710458 45.51019 13.36790 12.57254       14.17354 
1 1 1 42  4  16 o 23.19089 6.630436 54.42764       58.23834 111.3087       90.89598 14.81595       75.85295 26.99596 10.18970 19.38581 8.486507 7.610153       13.26087 
1 1 1 42  6  0  o 207.5723 3.627092 5177.827       155.7537 5136.206       178.4204 5311.125       319.3026 205.9484 3.580831 209.1963 6.308790 -3.247940      7.254184 
1 1 1 42  6  1  o 310.4209 4.793559 11847.78       316.3897 12012.56       369.5688 11395.60       612.2071 314.8081 4.852293 306.0338 8.268498 8.774292       9.587117 
1 1 1 42  6  2  o 194.3612 3.489888 4632.319       143.0880 4688.532       166.3378 4472.338       280.6125 196.7620 3.494195 191.9603 6.042175 4.801758       6.979776 
1 1 1 42  6  3  f 264.1941 4.244973 8576.928       237.7144 8691.903       277.1559 8256.990       462.3322 267.8133 4.277498 260.5749 7.333634 7.238342       8.489945 
1 1 1 42  6  4  f 21.42874 6.004289 -16.42537      39.73692 -42.41879      43.89769 101.5229       93.50951 12.56684 5.864712 30.29065 10.47908 -17.72381      12.00858 
1 1 1 42  6  5  o 120.4396 3.135603 1823.783       77.94483 1888.003       90.21804 1634.741       154.7877 124.8577 2.986590 116.0214 5.514372 8.836311       6.271205 
1 1 1 42  6  6  o 216.3933 3.733181 5743.291       169.7306 5798.297       196.8010 5583.582       335.3394 218.6845 3.719692 214.1022 6.473828 4.582321       7.466362 
1 1 1 42  6  7  o 130.8966 3.162104 2122.399       84.02420 2158.196       96.07481 2005.949       173.2821 133.4446 2.975817 128.3486 5.580334 5.095947       6.324209 
1 1 1 42  6  8  o 51.85257 4.985109 338.3429       47.70435 340.9524       53.27253 327.7811       107.1750 52.95863 4.157807 50.74651 9.061893 2.212116       9.970219 
1 1 1 42  6  9  o 43.06337 5.505043 190.2886       44.17125 166.7428       48.21854 313.1469       110.1437 36.91278 5.399269 49.21397 9.595305 -12.30119      11.01009 
1 1 1 42  6  10 f 38.90694 6.194798 165.0000       44.20346 151.2703       47.89518 243.9025       114.8173 35.06610 5.645495 42.74778 11.02862 -7.681683      12.38960 
1 1 1 42  6  11 o 28.12854 5.701071 116.7735       43.38313 145.5053       47.17344 -40.77335      110.4641 34.30677 5.683495 21.95031 9.884671 12.35645       11.40214 
1 1 1 42  6  12 o 68.70715 4.602151 665.7573       56.75730 713.0485       63.56299 479.7145       126.0725 76.37715 3.439843 61.03714 8.537369 15.34002       9.204303 
1 1 1 42  6  13 o 93.70505 3.846977 1129.887       67.85243 1150.338       75.71923 1046.520       152.8756 96.93008 3.228831 90.48001 6.983665 6.450066       7.693954 
1 1 1 42  6  14 o 26.11716 7.070763 79.48546       54.48406 84.39787       60.37710 57.94170       126.4403 25.28395 8.425511 26.95038 11.35753 -1.666431      14.14153 
1 1 1 42  6  15 o 23.05887 6.982549 46.04886       57.97761 60.66352       62.14440 -52.09994      161.0461 22.35968 8.428853 23.75807 11.13456 -1.398384      13.96510 
1 1 1 42  6  16 o 26.30093 6.806961 114.8042       63.90430 151.5162       68.71072 -120.4045      173.9191 31.18841 8.750154 21.41344 10.42946 9.774963       13.61392 
1 1 1 42  8  0  o 33.52997 6.118951 133.7739       42.32661 129.8087       47.17386 150.1487       95.86377 32.15132 6.289855 34.90862 10.49781 -2.757301      12.23790 
1 1 1 42  8  1  o 192.8131 3.520759 4507.660       140.6216 4507.542       161.5053 4508.031       285.9174 192.9246 3.460165 192.7016 6.132719 0.2230530      7.041519 
1 1 1 42  8  2  o 147.8885 3.230046 2703.218       99.16392 2754.633       114.5698 2549.673       197.9903 150.8280 3.139685 144.9490 5.645810 5.878937       6.460092 
1 1 1 42  8  3  f 116.0658 3.140394 1693.499       75.22144 1753.466       87.06439 1516.954       149.3867 120.3368 2.990471 111.7948 5.523167 8.542084       6.280787 
1 1 1 42  8  4  o 126.3759 3.210557 2000.264       82.75967 2058.441       95.12772 1819.155       167.8428 130.3713 3.015941 122.3806 5.668756 7.990639       6.421113 
1 1 1 42  8  5  o 177.8099 3.432564 3923.907       127.1289 4010.509       147.2535 3670.434       251.9235 181.9204 3.345659 173.6994 5.994711 8.221085       6.865129 
1 1 1 42  8  6  o 262.0038 4.245134 8506.542       236.3101 8669.630       276.3658 8063.057       455.7356 267.2190 4.274789 256.7887 7.335586 10.43036       8.490268 
1 1 1 42  8  7  o 81.29769 3.439767 789.6873       54.54237 779.7436       60.97349 829.5063       122.0144 80.18395 3.143050 82.41143 6.119576 -2.227478      6.879533 
1 1 1 42  8  8  o 161.7222 3.356024 3094.041       108.8724 3021.986       122.6838 3361.095       236.1876 157.7683 3.214142 165.6760 5.892442 -7.907669      6.712048 
1 1 1 42  8  9  o 80.68941 3.842668 800.1293       58.11156 801.0536       64.39434 796.0737       134.8826 81.16920 3.279096 80.20961 6.950678 0.9595947      7.685336 
1 1 1 42  8  10 o 67.83453 4.520273 612.8864       52.52679 633.2227       57.47012 509.6966       129.4563 72.11308 3.294016 63.55598 8.419081 8.557102       9.040545 
1 1 1 42  8  11 o 37.65328 6.548996 161.1533       45.27236 149.1537       48.88614 233.4325       119.9799 34.14123 6.144343 41.16533 11.56739 -7.024094      13.09799 
1 1 1 42  8  12 f 62.04099 4.277965 326.7755       51.31572 238.1110       55.77176 816.0619       131.0150 43.76066 5.267786 80.32133 6.741985 -36.56067      8.555930 
1 1 1 42  8  13 o 44.85176 6.344576 238.0709       52.98532 218.1050       58.08350 337.0613       129.3316 41.56171 5.776398 48.14181 11.29813 -6.580105      12.68915 
1 1 1 42  8  14 o 41.88583 7.301466 265.0611       58.84869 270.2186       63.65739 234.7412       154.3450 45.95514 5.725487 37.81653 13.43371 8.138615       14.60293 
1 1 1 42  8  15 o 20.83532 6.676639 13.02544       60.05519 33.79564       64.25671 -130.3986      168.8531 19.90854 8.220378 21.76210 10.52309 -1.853565      13.35328 
1 1 1 42  10 0  o 206.1756 3.699692 5087.919       155.3132 5030.749       176.5332 5283.760       326.7329 203.7977 3.580346 208.5536 6.475493 -4.755936      7.399384 
1 1 1 42  10 1  o 43.52911 6.008746 288.1017       47.72672 320.6032       53.18597 153.7180       108.1482 51.43060 4.274381 35.62761 11.23164 15.80299       12.01749 
1 1 1 42  10 2  o 138.5080 3.250928 2350.744       91.36435 2371.446       104.2131 2281.975       189.9368 139.9351 3.078175 137.0808 5.727039 2.854294       6.501857 
1 1 1 42  10 3  o 98.92528 3.553913 1129.660       76.35028 1062.288       88.80195 1320.642       149.5124 93.61247 3.920906 104.2381 5.928549 -10.62560      7.107827 
1 1 1 42  10 4  o 23.64317 6.310655 55.89497       43.53337 72.34837       46.99949 -43.47412      115.5024 24.28113 7.361476 23.00521 10.25213 1.275923       12.62131 
1 1 1 42  10 5  o 213.8566 3.762031 5583.015       166.8995 5600.927       192.0146 5527.662       337.5404 214.8779 3.693519 212.8353 6.555106 2.042526       7.524061 
1 1 1 42  10 6  o 77.30074 4.074220 821.8015       56.47443 878.3403       63.05700 592.6235       126.9540 85.10969 3.062330 69.49178 7.551107 15.61790       8.148440 
1 1 1 42  10 7  o 26.62458 6.560625 21.79426       42.08270 -5.098091      45.44107 183.8192       111.5386 15.38477 6.653224 37.86439 11.30937 -22.47962      13.12125 
1 1 1 42  10 8  o 86.14839 3.921028 923.1066       62.78733 930.7281       69.53791 889.4706       146.0836 87.50430 3.284656 84.79248 7.121016 2.711823       7.842055 
1 1 1 42  10 9  o 69.43338 4.360433 613.1927       55.35048 623.0604       61.18237 568.7091       129.9030 71.51266 3.536234 67.35410 7.971735 4.158562       8.720866 
1 1 1 42  10 10 o 40.07221 6.496006 221.0179       47.81614 227.6882       51.91397 183.7002       122.7915 43.00447 4.989630 37.13995 11.99567 5.864521       12.99201 
1 1 1 42  10 11 o 78.28070 4.266400 825.9634       60.70421 862.9904       67.60993 671.9810       137.8756 84.04095 3.325196 72.52044 7.858228 11.52052       8.532800 
1 1 1 42  10 12 o 66.16494 5.320609 600.2236       58.22961 616.3643       63.29745 511.3623       148.5190 70.81493 3.694529 61.51495 9.979277 9.299973       10.64122 
1 1 1 42  10 13 o 39.93320 7.285431 213.4877       55.11742 208.1707       59.31504 247.1148       149.1687 40.35615 6.075091 39.51026 13.24399 0.8458939      14.57086 
1 1 1 42  10 14 o 46.64619 7.246670 267.4473       57.88229 244.2992       61.94757 426.6508       162.4585 43.37930 5.902547 49.91308 13.23695 -6.533783      14.49334 
1 1 1 42  10 15 o 23.37875 7.104506 60.77663       60.63920 74.15765       64.29240 -47.03153      182.4907 23.09299 8.599113 23.66451 11.31155 -0.5715275     14.20901 
1 1 1 42  12 0  o 67.00023 3.247368 545.1719       52.31180 468.8917       73.00475 625.6690       74.99551 62.16672 4.853900 71.83374 4.315235 -9.667019      6.494737 
1 1 1 42  12 1  o 184.1099 2.984900 4110.481       132.9545 4108.733       187.5143 4112.248       188.5421 184.0717 4.210611 184.1481 4.231933 -0.7638550E-01 5.969800 
1 1 1 42  12 2  f 264.1841 3.712788 8477.854       237.2790 8603.333       338.6941 8356.911       332.5175 266.1012 5.260881 262.2670 5.240450 3.834167       7.425576 
1 1 1 42  12 3  o 131.9725 2.700913 2109.947       86.17539 2042.614       119.1370 2183.834       124.8010 129.7694 3.794652 134.1756 3.844521 -4.406189      5.401826 
1 1 1 42  12 4  o 158.5969 3.413060 3107.884       109.7697 3150.664       125.3614 2967.281       227.2706 161.2011 3.214354 155.9926 6.021946 5.208450       6.826119 
1 1 1 42  12 5  o 33.44855 6.603504 121.9931       44.07880 111.9347       48.05264 175.3718       110.6975 29.64932 6.838391 37.24778 11.29874 -7.598455      13.20701 
1 1 1 42  12 6  o 158.9041 3.375927 3063.399       108.2306 3050.677       122.7998 3107.674       229.0838 158.5176 3.201975 159.2906 5.944316 -0.7729340     6.751854 
1 1 1 42  12 7  o 60.06993 5.340098 497.1374       53.34277 519.7087       58.69373 390.0060       127.8709 65.34196 3.712763 54.79791 10.01409 10.54405       10.68020 
1 1 1 42  12 8  o 26.99736 6.982686 14.60581       47.21591 -14.43264      50.88133 194.6460       126.6941 15.52774 6.868125 38.46698 12.15979 -22.93924      13.96537 
1 1 1 42  12 9  o 26.71040 6.005323 102.4661       46.78115 134.3643       49.57288 -157.0494      141.3979 32.30207 6.566999 21.11872 10.05635 11.18334       12.01065 
1 1 1 42  12 10 o 68.97279 5.959790 736.8406       59.79303 785.7970       64.87048 460.3213       154.1718 80.20761 3.342945 57.73796 11.44120 22.46965       11.91958 
1 1 1 42  12 11 o 35.28820 7.292337 161.5659       51.31956 160.0796       54.91921 171.8025       144.1236 34.99250 6.731452 35.58390 12.93833 -0.5914001     14.58467 
1 1 1 42  12 12 o 31.22564 6.937220 144.6075       53.36207 159.6121       57.57734 53.24212       142.0787 34.56451 7.122165 27.88676 11.90692 6.677744       13.87444 
1 1 1 42  12 13 o 54.49141 7.067239 398.5494       63.01231 385.9590       67.81867 478.0488       170.4162 55.15420 5.082395 53.82863 13.18911 1.325569       14.13448 
1 1 1 42  12 14 o 20.87331 6.747790 13.16806       59.97987 31.85890       63.49884 -141.5824      182.7121 19.59696 8.138187 22.14965 10.76571 -2.552694      13.49558 
1 1 1 42  14 0  o 197.4551 3.106366 4728.334       148.3166 4883.434       214.0532 4585.105       205.6989 200.5636 4.411307 194.3466 4.374746 6.217026       6.212731 
1 1 1 42  14 1  o 26.52086 5.765134 83.82619       41.67540 55.48895       57.88366 114.3262       60.05197 23.00397 8.220864 30.03774 8.084830 -7.033772      11.53027 
1 1 1 42  14 2  o 343.1871 4.571867 14378.28       379.5270 14584.00       543.2966 14182.21       530.4001 345.5676 6.498328 340.8066 6.432699 4.761017       9.143735 
1 1 1 42  14 3  o 101.0300 2.744386 1238.381       67.04525 1189.017       93.19829 1291.328       96.52161 98.94423 3.893276 103.1159 3.868983 -4.171631      5.488772 
1 1 1 42  14 4  o 24.91287 5.416834 67.37143       41.37588 0.8063484      59.85382 128.2942       57.26094 18.17111 7.742653 31.65463 7.577579 -13.48352      10.83367 
1 1 1 42  14 5  o 76.69491 3.006921 716.3278       55.76664 685.1530       78.00414 748.9193       79.75694 74.98278 4.299854 78.40704 4.204469 -3.424255      6.013843 
1 1 1 42  14 6  o 56.70925 5.433414 415.1325       49.03003 418.9852       52.92186 391.7906       130.2634 58.65274 3.729448 54.76576 10.20682 3.886978       10.86683 
1 1 1 42  14 7  o 82.67723 4.142692 875.4464       62.88638 893.9952       69.68444 794.0511       145.9742 85.68003 3.361660 79.67442 7.572769 6.005608       8.285384 
1 1 1 42  14 8  o 95.96124 4.353327 1194.221       72.05177 1217.892       78.65153 1070.672       179.6909 99.96173 3.252154 91.96074 8.076467 8.000992       8.706654 
1 1 1 42  14 9  o 45.21303 6.872482 232.4678       52.01822 218.2054       55.49368 335.7525       149.3360 41.92250 5.471344 48.50356 12.60906 -6.581062      13.74496 
1 1 1 42  14 10 o 86.79694 4.566863 968.8650       67.02272 975.9503       72.68268 928.6140       173.2367 89.26540 3.365468 84.32846 8.491088 4.936943       9.133726 
1 1 1 42  14 11 o 36.54279 7.152026 199.4062       54.82141 209.6005       58.59908 127.9001       155.1970 40.63637 5.960375 32.44921 13.00307 8.187160       14.30405 
1 1 1 42  14 12 o 39.28236 7.758748 209.2362       56.92205 202.9794       60.26939 260.9161       173.2129 39.57106 6.295305 38.99366 14.18315 0.5773964      15.51750 
1 1 1 42  14 13 f 47.59459 7.921043 360.7273       64.13178 358.9439       68.14643 374.5390       189.6482 52.65473 5.349380 42.53445 14.91160 10.12029       15.84209 
1 1 1 42  16 0  o 93.59253 2.869490 1061.162       64.84904 1014.714       88.40575 1115.267       95.41568 91.38823 3.998416 95.79683 4.116862 -4.408600      5.738979 
1 1 1 42  16 1  o 28.59646 5.318773 100.8409       43.25637 16.03112       62.95909 176.6692       59.53214 19.80436 8.152694 37.38857 6.833080 -17.58421      10.63755 
1 1 1 42  16 2  o 26.91678 5.927801 89.12720       42.83675 79.48968       59.70995 99.34789       61.48989 25.71167 8.369809 28.12189 8.396523 -2.410221      11.85560 
1 1 1 42  16 3  o 18.27012 5.396796 2.891664       41.22239 32.28621       57.84478 -27.44094      58.76052 20.50263 8.026098 16.03761 7.216882 4.465021       10.79359 
1 1 1 42  16 4  o 155.4297 2.844317 2945.394       106.9161 3049.783       151.5980 2842.087       150.8096 158.1881 3.961112 152.6712 4.082909 5.516953       5.688634 
1 1 1 42  16 5  o 54.36362 3.784522 363.2137       49.77154 356.3143       70.02797 370.2567       70.75279 53.83810 5.376251 54.88915 5.327884 -1.051056      7.569043 
1 1 1 42  16 6  o 46.31174 4.354100 265.6572       48.75965 277.8698       70.00819 254.1517       67.95092 47.35305 6.110807 45.27044 6.204093 2.082615       8.708200 
1 1 1 42  16 7  o 100.9848 3.469383 1245.218       81.99166 1301.606       135.4601 1212.614       103.0033 102.5524 5.459629 99.41721 4.282399 3.135201       6.938767 
1 1 1 42  16 8  o 87.35069 5.136043 1019.399       69.38992 1037.140       74.29810 898.2748       194.1349 92.11415 3.333873 82.58724 9.716019 9.526909       10.27209 
1 1 1 42  16 9  o 33.01384 7.524032 67.15743       50.67329 34.58512       53.84945 319.0958       149.7628 19.80679 7.746643 46.22089 12.90092 -26.41410      15.04806 
1 1 1 42  16 10 o 52.52105 6.396432 345.3666       58.08533 330.4846       63.12967 427.4836       148.2926 51.33123 5.083345 53.71087 11.73955 -2.379635      12.79286 
1 1 1 42  16 11 o 52.79052 7.214271 387.5045       61.89056 380.9510       66.50608 429.8632       169.0825 54.87291 5.009577 50.70812 13.53096 4.164795       14.42854 
1 1 1 42  16 12 o 31.00870 6.971937 165.5679       58.85369 186.8055       62.31083 -10.04640      179.1804 36.53542 7.304623 25.48198 11.87746 11.05344       13.94387 
1 1 1 42  16 13 o 22.84295 7.460638 25.49254       61.84476 15.60749       65.30610 111.3980       192.5194 18.13564 7.908489 27.55026 12.65307 -9.414627      14.92128 
1 1 1 42  18 0  o 35.62324 5.521851 163.3247       46.33961 143.7610       64.72316 183.9005       66.37634 33.34828 8.102002 37.89819 7.504725 -4.549915      11.04370 
1 1 1 42  18 1  o 151.4739 3.974492 2796.596       145.6537 2796.596       145.6537 0.000000       0.000000 151.4739 3.974492 ?        ?        ?              ?        
1 1 1 42  18 2  o 21.16241 5.450757 15.39760       45.48148 -85.76039      67.90250 97.70943       61.25151 14.57099 6.946815 27.75384 8.401474 -13.18285      10.90151 
1 1 1 42  18 3  o 58.12132 3.770121 418.0385       52.64507 368.8168       75.39540 464.8698       73.54192 54.69391 5.697753 61.54873 4.938710 -6.854824      7.540242 
1 1 1 42  18 4  o 56.54934 3.876448 392.3080       52.88182 427.4644       78.40707 362.9706       71.62466 58.85530 5.506395 54.24338 5.457748 4.611927       7.752896 
1 1 1 42  18 5  f 62.36401 3.685398 478.4109       55.43216 502.0370       82.38150 458.8641       74.93267 63.73367 5.342671 60.99434 5.077844 2.739338       7.370796 
1 1 1 42  18 6  o 100.2545 2.990237 1235.236       72.52557 1222.276       102.6116 1248.173       102.5217 99.71999 4.253163 100.7891 4.204362 -1.069084      5.980473 
1 1 1 42  18 7  o 24.94225 6.257450 70.16281       49.68280 29.67892       71.86561 107.2248       68.76131 21.38551 8.745991 28.49899 8.951556 -7.113482      12.51490 
1 1 1 42  18 8  o 90.65479 4.368160 1023.880       93.79238 1131.826       151.5120 956.8115       119.4264 94.12589 6.653277 87.18369 5.661906 6.942200       8.736320 
1 1 1 42  18 9  o 51.14647 4.528986 334.0880       55.56944 279.3503       75.54800 398.6138       82.02509 46.45926 6.721225 55.83368 6.072229 -9.374420      9.057971 
1 1 1 42  18 10 o 35.24987 7.919395 166.2476       58.94943 155.1575       63.30233 238.6675       161.7643 33.22382 7.976234 37.27592 13.68382 -4.052105      15.83879 
1 1 1 42  18 11 o 25.13759 9.847216 84.40540       87.11773 84.40540       87.11773 0.000000       0.000000 25.13759 9.847216 ?        ?        ?              ?        
1 1 1 42  20 0  o 57.93227 3.952867 414.8846       54.85320 343.1122       76.28613 491.7173       78.92966 52.65055 5.988808 63.21399 5.160892 -10.56343      7.905734 
1 1 1 42  20 1  o 74.97297 3.383243 690.0764       61.31984 729.4968       88.04523 652.9442       85.45161 77.06548 4.722192 72.88046 4.846261 4.185013       6.766487 
1 1 1 42  20 2  o 88.27813 3.142123 953.9951       67.01176 1010.317       97.98174 904.4989       91.85276 90.71318 4.464497 85.84308 4.422671 4.870102       6.284246 
1 1 1 42  20 3  o 127.7759 4.075020 2002.256       125.9741 2002.256       125.9741 0.000000       0.000000 127.7759 4.075020 ?        ?        ?              ?        
1 1 1 42  20 4  o 25.13981 6.449829 71.32121       50.44412 82.84087       75.38829 61.98223       67.87872 26.38322 9.386860 23.89640 8.848051 2.486816       12.89966 
1 1 1 42  20 5  o 67.70232 3.680267 576.5657       59.59772 508.2382       87.29171 636.2252       81.56703 63.72990 5.661447 71.67474 4.703772 -7.944843      7.360533 
1 1 1 42  20 6  o 33.58784 6.101147 155.7182       49.85324 140.3728       75.22811 167.7344       66.56950 31.92672 9.222249 35.24896 7.990376 -3.322237      12.20229 
1 1 1 42  20 7  o 26.31225 5.948843 61.09163       52.98735 179.6001       78.32951 -38.89223      71.94748 35.79193 9.042441 16.83257 7.732349 18.95937       11.89769 
1 1 1 42  20 8  o 65.79607 5.622819 591.8253       83.69946 549.3159       142.1259 614.3962       103.5630 62.65536 9.375896 68.93679 6.209425 -6.281429      11.24564 
1 1 1 42  20 9  o 78.88424 6.430783 822.3677       122.7316 0.000000       0.000000 822.3677       122.7316 ?        ?        78.88424 6.430783 ?              ?        
1 1 1 42  22 0  o 55.79171 4.282073 385.0986       55.36762 554.2164       83.56861 252.7799       73.91951 66.84753 5.167203 44.73589 6.829686 22.11164       8.564146 
1 1 1 42  22 1  o 41.24548 5.457952 223.4368       52.62222 290.7529       75.74377 160.6323       73.16149 48.00434 6.521749 34.48661 8.753501 13.51773       10.91590 
1 1 1 42  22 2  o 25.21525 6.133076 68.81853       50.71912 1.036451       74.13541 128.4583       69.54025 19.60153 8.487406 30.82897 8.855644 -11.22744      12.26615 
1 1 1 42  22 3  o 30.05885 6.672447 120.1674       53.67600 141.4602       82.34162 104.4336       70.78175 32.04525 9.750145 28.07245 9.111578 3.972807       13.34489 
1 1 1 42  22 4  o 48.57117 6.806645 335.6107       70.24136 301.1303       131.7073 349.3159       83.03573 44.91034 11.92245 52.23201 6.570917 -7.321667      13.61329 
1 1 1 43  1  0  o 140.3362 3.692970 2384.873       125.3857 2384.873       125.3857 0.000000       0.000000 140.3362 3.692970 ?        ?        ?              ?        
1 1 1 43  1  1  f 174.0829 2.843485 3669.956       119.7449 3624.026       167.7546 3717.670       170.9811 172.9734 4.008601 175.1925 4.033948 -2.219116      5.686969 
1 1 1 43  1  2  o 16.99601 5.014150 -2.014589      36.30079 29.95691       49.84488 -38.12328      52.97183 19.45762 7.496363 14.53441 6.661180 4.923209       10.02830 
1 1 1 43  1  3  o 57.87706 3.228268 405.7644       45.15743 410.9424       65.54435 401.0857       62.30334 58.22618 4.652802 57.52794 4.476414 0.6982422      6.456535 
1 1 1 43  1  4  o 135.5402 3.215894 2261.063       100.4023 2345.075       125.5227 2111.838       167.2901 139.1354 3.728913 131.9451 5.240525 7.190353       6.431788 
1 1 1 43  1  5  o 86.34766 3.111102 929.4214       55.88018 955.4033       64.78288 853.8965       110.4511 88.82333 3.014609 83.87198 5.443157 4.951347       6.222204 
1 1 1 43  1  6  o 65.03723 3.559878 533.2418       48.59139 555.1077       56.79538 473.5277       93.85706 67.68244 3.468443 62.39202 6.217783 5.290417       7.119756 
1 1 1 43  1  7  o 215.0098 3.675539 5693.433       167.6570 5774.446       195.6317 5469.364       325.3512 218.1982 3.705833 211.8214 6.348633 6.376755       7.351077 
1 1 1 43  1  8  o 48.65127 5.149757 261.1535       55.90985 184.9180       67.47985 428.0785       99.85187 38.17649 7.573322 59.12605 6.980315 -20.94956      10.29951 
1 1 1 43  1  9  o 125.8658 3.053090 1929.962       79.25236 1930.761       90.87127 1927.424       161.9846 126.1376 2.977693 125.5940 5.330926 0.5435791      6.106179 
1 1 1 43  1  10 o 46.39869 4.931322 259.5227       44.13231 251.4677       49.57162 290.3034       96.90340 45.36861 4.516222 47.42878 8.767867 -2.060165      9.862644 
1 1 1 43  1  11 o 108.9817 2.654214 1449.660       69.96877 1486.754       99.15963 1412.878       98.74323 110.3806 3.713127 107.5828 3.793691 2.797760       5.308428 
1 1 1 43  1  12 o 53.99596 3.825274 363.2852       49.57287 411.2700       69.69804 314.1586       70.52248 57.72033 4.991021 50.27158 5.798326 7.448750       7.650548 
1 1 1 43  1  13 o 22.14785 6.020829 46.51851       45.83111 63.16660       65.24859 30.30572       64.38989 23.68366 8.691171 20.61205 8.334571 3.071615       12.04166 
1 1 1 43  1  14 o 50.85563 4.422451 330.0608       54.18978 292.1435       75.19131 371.0387       78.16712 47.70478 6.514836 54.00647 5.982408 -6.301682      8.844902 
1 1 1 43  1  15 o 37.02567 6.337855 198.5131       56.36867 224.3250       80.68109 173.8987       78.78732 39.62509 8.657901 34.42625 9.258207 5.198845       12.67571 
1 1 1 43  1  16 o 43.36574 5.987789 282.0213       61.04989 380.9167       87.34384 187.5556       85.36532 52.62550 6.860152 34.10597 9.815945 18.51953       11.97558 
1 1 1 43  3  0  o 156.3713 3.118895 3082.997       104.8538 3242.510       124.5482 2694.824       194.2903 163.6574 3.145572 149.0852 5.386595 14.57222       6.237791 
1 1 1 43  3  1  o 218.2417 3.713991 5767.394       169.3799 5760.142       195.2927 5789.411       340.2819 218.0898 3.701250 218.3936 6.440160 -0.3037872     7.427982 
1 1 1 43  3  2  o 82.22107 3.164789 854.1978       53.15492 887.3621       61.30261 753.7180       106.7045 85.61477 2.959566 78.82736 5.595045 6.787407       6.329578 
1 1 1 43  3  3  o 413.8065 6.205301 20617.30       528.8546 20394.83       604.3668 21344.44       1092.624 409.8794 6.094558 417.7336 10.81108 -7.854218      12.41060 
1 1 1 43  3  4  o 177.6879 3.320185 3830.837       123.1155 3833.505       141.9256 3822.725       247.4695 177.9163 3.297181 177.4595 5.763950 0.4568481      6.640371 
1 1 1 43  3  5  o 92.66885 3.127531 1005.422       58.64020 977.3762       66.22035 1107.317       126.2221 89.83578 3.046771 95.50191 5.462873 -5.666130      6.255061 
1 1 1 43  3  6  o 128.6904 3.107166 2034.890       82.13336 2058.384       94.25052 1960.738       167.4455 130.3558 2.988485 127.0249 5.448566 3.330849       6.214332 
1 1 1 43  3  7  o 188.6261 3.456665 4279.363       134.1039 4239.037       153.1852 4411.660       277.4569 186.9798 3.386256 190.2725 6.027223 -3.292679      6.913331 
1 1 1 43  3  8  o 199.4359 3.806071 4766.048       169.9587 4635.636       203.4552 5067.222       309.1844 195.2739 4.306478 203.5978 6.276858 -8.323853      7.612141 
1 1 1 43  3  9  o 63.30124 4.060052 517.3823       49.94509 537.6713       56.56203 445.5681       106.4142 66.51440 3.514852 60.08807 7.319966 6.426323       8.120104 
1 1 1 43  3  10 o 75.48981 3.551499 665.3918       53.35626 641.8668       59.79705 757.2874       118.1849 72.62911 3.403038 78.35049 6.234734 -5.721382      7.102997 
1 1 1 43  3  11 o 13.60697 4.631176 -72.64019      41.09152 -36.91366      46.07805 -211.4218      90.81647 13.17628 6.100952 14.03767 6.969186 -0.8613863     9.262352 
1 1 1 43  3  12 o 118.6761 3.257228 1726.641       78.40449 1720.062       89.21570 1748.959       164.3168 118.7569 3.105133 118.5952 5.726804 0.1616287      6.514456 
1 1 1 43  3  13 f 38.23744 6.525001 184.5949       50.69783 173.4874       56.74256 228.5544       112.8824 36.47052 6.676848 40.00436 11.21259 -3.533844      13.05000 
1 1 1 43  3  14 o 71.07802 3.541535 634.8162       60.78379 677.6390       85.86308 591.7970       86.05978 73.57699 4.823498 68.57906 5.186882 4.997932       7.083070 
1 1 1 43  3  15 o 23.58613 6.224347 48.78825       53.47463 129.2181       78.21510 -21.80337      73.27544 29.64311 9.573776 17.52915 7.956933 12.11396       12.44869 
1 1 1 43  3  16 o 41.14763 6.167180 257.4237       59.47565 245.9119       85.26470 268.3329       83.00341 39.89938 9.041922 42.39588 8.389285 -2.496506      12.33436 
1 1 1 43  5  0  o 297.3602 4.652727 10700.67       288.2143 10667.83       331.6781 10801.90       582.3850 296.7007 4.620574 298.0197 8.077237 -1.319000      9.305453 
1 1 1 43  5  1  o 238.8358 3.974624 6764.562       193.3699 6637.061       219.4367 7207.615       409.0539 234.0831 3.874690 243.5886 6.940989 -9.505493      7.949248 
1 1 1 43  5  2  o 214.0470 3.685256 5609.917       166.3231 5666.919       193.2046 5446.758       326.8714 216.3023 3.691935 211.7918 6.379189 4.510468       7.370511 
1 1 1 43  5  3  o 112.5950 3.015281 1502.364       69.37255 1473.881       78.82322 1600.238       146.1143 110.3331 2.952881 114.8569 5.258153 -4.523750      6.030562 
1 1 1 43  5  4  o 155.6975 3.242051 2994.620       104.7699 3049.066       121.0117 2831.648       209.3638 158.6736 3.152251 152.7215 5.666296 5.952087       6.484103 
1 1 1 43  5  5  o 156.1900 3.230879 2983.338       104.6417 3006.390       120.4817 2912.552       211.1238 157.5418 3.160990 154.8381 5.635819 2.703690       6.461758 
1 1 1 43  5  6  o 325.8920 5.040117 12963.00       343.4657 12965.13       396.4434 12956.57       687.7473 326.6662 5.016199 325.1179 8.743505 1.548248       10.08023 
1 1 1 43  5  7  o 127.8349 3.086662 2025.046       81.52697 2063.467       93.99833 1908.388       163.7928 130.4765 2.977731 125.1933 5.407684 5.283180       6.173324 
1 1 1 43  5  8  o 51.58559 4.946843 347.2886       47.02934 358.5301       52.87302 304.6996       102.9134 54.30839 4.024064 48.86279 9.038358 5.445602       9.893685 
1 1 1 43  5  9  o 46.14720 5.514679 281.3097       45.51711 288.7083       50.48029 249.1374       105.2656 48.66656 4.287350 43.62785 10.16196 5.038715       11.02936 
1 1 1 43  5  10 o 69.31966 4.183595 594.8894       52.97737 596.2021       58.32309 588.6972       126.6717 69.97442 3.445076 68.66489 7.625046 1.309532       8.367190 
1 1 1 43  5  11 o 58.25173 4.299191 393.2197       49.10448 374.7329       54.63530 470.9102       112.0024 55.33371 4.081138 61.16976 7.568122 -5.836048      8.598381 
1 1 1 43  5  12 o 78.23492 4.059179 814.4053       60.06012 851.1417       67.63129 677.3350       130.6387 83.45242 3.349704 73.01741 7.395082 10.43501       8.118359 
1 1 1 43  5  13 o 58.92968 4.931239 437.1745       55.09513 432.5936       61.23792 456.6330       126.2116 59.15096 4.279139 58.70841 8.885799 0.4425507      9.862477 
1 1 1 43  5  14 o 41.40444 7.030568 251.7176       58.08759 257.2338       63.97510 225.8180       138.6236 44.87738 5.892250 37.93151 12.76702 6.945869       14.06114 
1 1 1 43  5  15 o 46.81554 7.169868 281.2592       60.14812 257.4648       65.10640 419.8691       157.1389 44.32681 6.070926 49.30428 12.99122 -4.977470      14.33974 
1 1 1 43  5  16 o 33.92997 8.528150 169.9927       66.38069 142.8542       71.19284 350.6246       183.6712 29.86413 9.061528 37.99582 14.45012 -8.131689      17.05630 
1 1 1 43  7  0  o 214.2586 3.710481 5545.341       164.6931 5525.310       188.9897 5608.566       335.7640 213.5918 3.657222 214.9254 6.457199 -1.333572      7.420962 
1 1 1 43  7  1  f 128.6402 3.091582 1941.159       79.74998 1892.915       89.79314 2121.356       173.5395 125.0397 2.968199 132.2407 5.424141 -7.200989      6.183164 
1 1 1 43  7  2  f 206.7084 3.654602 5245.435       158.7856 5311.354       184.2691 5055.324       312.9336 209.4008 3.637240 204.0160 6.339949 5.384827       7.309204 
1 1 1 43  7  3  o 198.3829 3.555608 4820.056       147.9553 4867.361       171.3983 4681.737       293.0855 200.4517 3.534227 196.3141 6.170788 4.137650       7.111216 
1 1 1 43  7  4  o 108.1931 3.227368 1426.153       69.39304 1430.978       78.39328 1408.685       149.1594 108.7007 2.980878 107.6855 5.725205 1.015160       6.454735 
1 1 1 43  7  5  o 181.2469 3.429975 4008.138       128.8041 4026.503       148.1329 3951.219       260.7882 182.2789 3.359023 180.2148 5.981293 2.064041       6.859949 
1 1 1 43  7  6  o 190.6694 3.517897 4384.855       137.5642 4354.017       157.0308 4486.615       285.2540 189.4914 3.425256 191.8474 6.145732 -2.355927      7.035794 
1 1 1 43  7  7  f 78.54802 3.472270 756.7839       52.91864 760.7110       59.31450 741.4634       117.1546 79.20038 3.095504 77.89565 6.216470 1.304726       6.944540 
1 1 1 43  7  8  o 83.64718 3.602778 856.7426       59.02719 858.4922       66.33596 850.0892       129.3582 84.08171 3.260957 83.21265 6.425433 0.8690643      7.205555 
1 1 1 43  7  9  o 70.22919 4.160792 637.1060       53.23073 654.6261       58.95390 559.7858       123.8483 73.36819 3.321256 67.09019 7.630073 6.278000       8.321584 
1 1 1 43  7  10 o 69.59393 3.987944 539.0208       52.09685 508.0926       57.03014 694.9435       128.0506 64.54361 3.652153 74.64425 7.090598 -10.10064      7.975889 
1 1 1 43  7  11 o 64.10480 4.689702 520.7950       54.43461 524.4265       59.91634 503.6288       130.2692 65.47559 3.782366 62.73400 8.582944 2.741581       9.379404 
1 1 1 43  7  12 o 61.16485 4.220681 424.4258       53.10372 388.3160       59.81883 558.7151       115.3575 56.10258 4.407099 66.22711 7.199589 -10.12453      8.441362 
1 1 1 43  7  13 o 32.29863 7.059455 141.0709       53.41932 141.2078       59.59675 140.5116       120.4889 32.31029 7.727979 32.28696 11.81617 0.2332306E-01  14.11891 
1 1 1 43  7  14 o 35.81029 7.681741 156.8236       55.78391 138.5642       60.24384 266.6270       147.7327 31.53782 7.909534 40.08276 13.17102 -8.544939      15.36348 
1 1 1 43  7  15 o 24.00601 7.513793 36.23441       57.03958 27.79458       60.36277 106.6151       174.3128 19.03538 7.922292 28.97664 12.76972 -9.941256      15.02759 
1 1 1 43  9  0  o 105.0294 3.227705 1323.552       67.20402 1313.533       75.64098 1361.095       146.4290 104.1572 3.001687 105.9015 5.715085 -1.744255      6.455410 
1 1 1 43  9  1  o 134.1207 3.204442 2180.074       87.65653 2179.484       99.96900 2182.034       182.3186 134.1598 3.079928 134.0815 5.620306 0.7835388E-01  6.408884 
1 1 1 43  9  2  o 315.0189 4.895509 12170.08       325.3334 12275.28       377.9398 11869.13       639.2490 318.1040 4.910787 311.9337 8.470430 6.170380       9.791018 
1 1 1 43  9  3  o 124.8143 3.309815 1960.383       82.40489 2018.417       93.88245 1765.616       171.9896 129.0947 3.005894 120.5339 5.897805 8.560753       6.619630 
1 1 1 43  9  4  o 134.8447 3.360904 2316.703       91.37808 2414.580       104.9307 2009.518       185.8932 141.1735 3.072182 128.5160 5.978662 12.65749       6.721808 
1 1 1 43  9  5  o 138.0327 3.274034 2436.188       93.38058 2563.060       108.6882 2078.525       182.4885 145.4210 3.089250 130.6445 5.773536 14.77644       6.548068 
1 1 1 43  9  6  o 51.56818 5.368890 348.9230       47.02914 357.6475       51.61290 306.2463       114.1520 54.26910 3.931002 48.86726 9.992354 5.401836       10.73778 
1 1 1 43  9  7  o 21.01145 6.152216 0.2251308      40.57936 -14.27886      44.67635 68.60202       97.00376 14.52556 6.429747 27.49734 10.49082 -12.97178      12.30443 
1 1 1 43  9  8  o 95.95738 3.450441 1074.504       63.87951 1042.581       70.89027 1212.374       147.3227 92.63063 3.163222 99.28413 6.133204 -6.653503      6.900882 
1 1 1 43  9  9  o 43.02419 6.193526 322.2572       49.03885 366.5331       53.78306 103.9857       119.4155 54.78912 4.057410 31.25926 11.70370 23.52987       12.38705 
1 1 1 43  9  10 o 32.21474 6.855520 102.8865       44.51194 86.02447       48.15729 201.7847       116.6275 25.82587 7.353576 38.60361 11.57228 -12.77774      13.71104 
1 1 1 43  9  11 o 29.95148 6.751169 116.9653       46.57452 122.8349       50.45140 83.11719       121.1536 30.62939 6.965579 29.27357 11.56693 1.355820       13.50234 
1 1 1 43  9  12 o 73.28995 4.829497 734.2842       61.80616 760.8586       68.08794 609.8751       147.3213 78.71796 3.575149 67.86194 8.972985 10.85602       9.658994 
1 1 1 43  9  13 o 22.62377 5.800492 53.31568       51.22033 107.3896       55.47424 -259.2505      133.3731 28.02823 7.861850 17.21931 8.530777 10.80893       11.60098 
1 1 1 43  9  14 o 22.32429 6.447035 47.82304       55.87144 82.86552       59.65585 -202.3796      159.4049 24.62035 8.374813 20.02823 9.804059 4.592117       12.89407 
1 1 1 43  9  15 o 33.08682 7.026096 207.9539       64.08630 232.1434       68.47720 37.27543       181.8955 40.33947 7.284451 25.83418 12.01669 14.50529       14.05219 
1 1 1 43  11 0  o 105.0078 2.683266 1336.963       68.10744 1270.869       96.28526 1403.148       96.35170 102.4045 3.886319 107.6111 3.700837 -5.206612      5.366532 
1 1 1 43  11 1  o 197.5980 3.660408 4535.046       142.7920 4394.177       159.6230 5099.346       319.4791 190.4407 3.464442 204.7554 6.449185 -14.31465      7.320817 
1 1 1 43  11 2  o 175.3541 3.544843 3795.904       126.5936 3850.890       144.8501 3618.084       260.4850 178.2693 3.358456 172.4388 6.243750 5.830582       7.089686 
1 1 1 43  11 3  o 79.61279 4.035925 756.5938       58.51436 749.1367       64.12587 793.6943       143.0341 78.61407 3.371558 80.61153 7.333986 -1.997459      8.071850 
1 1 1 43  11 4  o 104.2561 3.461415 1369.813       70.42297 1405.626       79.52888 1239.738       151.5659 107.6888 3.052473 100.8233 6.213532 6.865562       6.922830 
1 1 1 43  11 5  o 109.4261 3.242013 1453.249       71.52384 1450.666       81.16403 1462.225       151.3106 109.3741 3.067234 109.4781 5.712677 -0.1040039     6.484027 
1 1 1 43  11 6  o 78.27130 4.095502 804.1677       57.75746 835.0508       63.97001 667.9358       134.3554 82.94187 3.187868 73.60074 7.545199 9.341133       8.191004 
1 1 1 43  11 7  o 77.59960 3.817627 751.9238       56.03283 760.9117       62.43117 714.6937       127.0625 79.12619 3.261211 76.07301 6.903738 3.053177       7.635254 
1 1 1 43  11 8  o 178.9218 3.602433 4016.647       132.0340 4099.816       151.8188 3758.477       267.4846 183.5045 3.419608 174.3392 6.341638 9.165329       7.204866 
1 1 1 43  11 9  o 85.30061 4.138553 983.1442       64.46333 1035.183       72.01591 773.3492       144.5973 92.18005 3.229157 78.42118 7.621222 13.75887       8.277105 
1 1 1 43  11 10 o 43.61587 6.532824 226.4656       49.05698 216.5956       52.74626 289.7085       133.5183 41.83246 5.211658 45.39928 11.98123 -3.566818      13.06565 
1 1 1 43  11 11 o 47.18046 6.521412 406.2664       54.76008 459.8832       60.03047 140.5116       133.6478 61.11112 4.060217 33.24981 12.39475 27.86131       13.04282 
1 1 1 43  11 12 o 46.98917 6.726468 361.7353       55.44870 389.9888       60.64874 217.8465       136.8670 56.00072 4.476368 37.97760 12.68635 18.02312       13.45294 
1 1 1 43  11 13 o 47.15453 7.301876 266.8844       57.67171 244.9254       61.46913 428.3165       166.6654 43.64316 5.821549 50.66590 13.39325 -7.022747      14.60375 
1 1 1 43  11 14 o 21.79163 6.463439 42.27233       58.50970 79.88565       62.22117 -245.0922      171.9824 23.96079 8.527509 19.62247 9.715234 4.338322       12.92688 
1 1 1 43  13 0  f 95.89946 2.782647 1115.696       64.54262 1130.713       90.57452 1100.204       91.99619 96.55888 3.877140 95.24003 3.992528 1.318855       5.565294 
1 1 1 43  13 1  o 76.50153 3.023136 710.4851       55.94437 717.0894       78.63069 703.7148       79.61302 76.86446 4.228285 76.13860 4.321923 0.7258606      6.046272 
1 1 1 43  13 2  o 51.07366 3.962017 319.0640       48.53693 369.3855       68.98618 269.7356       68.30211 55.10426 5.174574 47.04306 6.001173 8.061195       7.924033 
1 1 1 43  13 3  o 44.48024 4.223629 241.0962       45.42115 230.1446       63.00536 252.9467       65.54002 43.42841 5.996546 45.53207 5.949586 -2.103661      8.447257 
1 1 1 43  13 4  o 162.7244 3.458048 3189.842       111.5748 3163.147       125.6051 3289.708       242.9414 161.4560 3.215518 163.9929 6.123139 -2.536896      6.916097 
1 1 1 43  13 5  o 105.2188 3.454387 1346.490       69.03616 1343.617       76.72008 1358.715       158.2635 105.2124 3.013975 105.2252 6.216680 -0.1279449E-01 6.908774 
1 1 1 43  13 6  o 125.0285 3.389303 1936.993       82.87393 1955.737       93.27734 1866.746       180.5774 126.8789 3.038675 123.1782 6.059370 3.700783       6.778606 
1 1 1 43  13 7  o 63.70905 4.829686 484.3180       54.84311 475.0845       59.71421 534.0869       138.6355 62.39161 3.955935 65.02648 8.812153 -2.634872      9.659371 
1 1 1 43  13 8  o 48.86757 6.850700 393.9111       55.73753 428.4254       60.41222 196.4307       144.5064 59.15102 4.221436 38.58411 13.03487 20.56690       13.70140 
1 1 1 43  13 9  o 65.72095 4.994394 504.5617       55.30614 489.4380       59.38017 603.5693       151.9312 63.20654 3.883087 68.23536 9.203125 -5.028824      9.988788 
1 1 1 43  13 10 o 50.32597 6.830172 343.3119       54.28574 344.0982       58.09158 337.8941       152.4875 52.75714 4.551238 47.89478 12.87988 4.862362       13.66034 
1 1 1 43  13 11 o 67.06531 5.463873 612.4028       61.78269 624.6494       67.32347 547.0554       155.5157 71.13351 3.911920 62.99710 10.20355 8.136406       10.92775 
1 1 1 43  13 12 o 55.64246 6.808135 419.8682       61.22721 412.7945       66.00051 463.5336       163.9802 57.29705 4.761160 53.98786 12.75673 3.309193       13.61627 
1 1 1 43  13 13 o 28.78125 6.880658 136.8142       58.79560 162.5191       61.96683 -95.21713      186.1764 33.80142 7.743648 23.76109 11.37584 10.04033       13.76132 
1 1 1 43  13 14 o 48.74947 8.013595 294.1964       64.68533 251.9981       68.48321 643.3076       196.9782 42.62738 6.640383 54.87156 14.58685 -12.24417      16.02719 
1 1 1 43  15 0  o 146.8831 2.792787 2617.044       99.10716 2572.110       136.1157 2667.743       144.5847 145.5543 3.865280 148.2120 4.032153 -2.657654      5.585575 
1 1 1 43  15 1  o 99.66016 2.801169 1206.729       67.50610 1210.659       94.06818 1202.556       96.93233 99.83456 3.894570 99.48575 4.027222 0.3488159      5.602338 
1 1 1 43  15 2  o 181.4134 2.979405 4002.390       130.7378 3961.788       182.5941 4045.101       187.2772 180.4771 4.181793 182.3496 4.245001 -1.872574      5.958811 
1 1 1 43  15 3  o 18.63366 5.471035 7.346338       41.15916 30.52353       60.19857 -12.99986      56.40239 20.65048 8.155442 16.61684 7.295043 4.033638       10.94207 
1 1 1 43  15 4  o 108.3251 3.761724 1428.331       98.58670 1428.331       98.58670 0.000000       0.000000 108.3251 3.761724 ?        ?        ?              ?        
1 1 1 43  15 5  o 40.94717 4.754757 211.4883       45.71426 238.4353       64.56596 184.4009       64.73382 43.97568 6.068603 37.91867 7.321401 6.057014       9.509514 
1 1 1 43  15 6  o 54.41766 3.699003 359.8333       48.40264 411.1654       73.32609 320.1939       64.43577 57.81335 5.242374 51.02197 5.219964 6.791386       7.398007 
1 1 1 43  15 7  o 31.05924 7.345877 111.5302       52.35135 108.4164       56.95341 128.4949       132.9388 28.81512 7.923047 33.30336 12.37226 -4.488232      14.69175 
1 1 1 43  15 8  o 20.73565 6.507214 7.573946       52.48585 34.19787       55.23878 -239.7383      168.3569 20.08228 7.848272 21.38902 10.38171 -1.306738      13.01443 
1 1 1 43  15 9  o 36.49839 7.351461 146.1898       50.43414 130.3988       53.99724 254.1344       141.1779 31.36772 7.259002 41.62906 12.78604 -10.26133      14.70292 
1 1 1 43  15 10 o 85.70238 4.693192 968.9894       69.17654 982.7203       75.48316 896.9661       172.8768 89.39927 3.489907 82.00548 8.713480 7.393791       9.386383 
1 1 1 43  15 11 o 22.16489 6.930657 24.23725       54.94802 34.49900       58.47108 -53.30160      160.7275 19.92986 7.983086 24.39992 11.33165 -4.470058      13.86131 
1 1 1 43  15 12 o 20.30465 6.566251 3.051318       58.71458 25.01430       62.68394 -154.0750      167.6622 19.19921 8.038761 21.41008 10.38465 -2.210869      13.13250 
1 1 1 43  15 13 o 32.08532 8.178959 164.4944       64.25105 155.9946       68.07127 233.9084       194.5284 31.73555 8.635497 32.43510 13.89279 -0.6995487     16.35792 
1 1 1 43  17 0  o 68.51728 3.320284 571.1427       54.72343 490.8274       75.31478 660.9661       79.64813 63.40175 4.909945 73.63281 4.470972 -10.23106      6.640568 
1 1 1 43  17 1  o 67.04118 3.363026 548.3262       54.50542 533.2379       75.29958 564.9331       78.99796 66.07971 4.710013 68.00265 4.801620 -1.922935      6.726052 
1 1 1 43  17 2  o 90.42426 2.948380 992.5167       64.34371 914.3514       87.63301 1083.947       94.77790 86.57764 4.183692 94.27087 4.155538 -7.693237      5.896760 
1 1 1 43  17 3  o 181.1978 3.022863 4006.559       132.4142 3904.190       182.9216 4119.255       191.9269 178.7879 4.228871 183.6077 4.320585 -4.819778      6.045726 
1 1 1 43  17 4  o 48.17065 4.729320 310.0916       49.58760 185.9749       72.23043 420.7371       68.19808 37.78060 8.142225 58.56071 4.813528 -20.78012      9.458640 
1 1 1 43  17 5  o 35.38036 5.508950 158.2551       47.58419 227.9835       70.82310 100.8776       64.24518 42.71470 6.853230 28.04601 8.627130 14.66868       11.01790 
1 1 1 43  17 6  o 31.43822 6.139217 132.4275       48.91516 104.5153       72.69615 155.5202       66.12306 28.57257 9.230018 34.30387 8.097328 -5.731302      12.27843 
1 1 1 43  17 7  o 50.12193 4.338459 314.4354       52.50864 342.7783       75.97459 288.5162       72.65354 52.31816 6.002243 47.92569 6.265938 4.392471       8.676918 
1 1 1 43  17 8  o 74.89625 4.671318 718.0125       79.36897 698.6318       137.1033 727.7811       97.33758 73.46603 7.713632 76.32646 5.271122 -2.860428      9.342636 
1 1 1 43  17 9  o 51.07421 6.414592 283.0779       57.31314 250.4352       61.71585 487.6859       154.5128 44.46169 5.737311 57.68674 11.47481 -13.22505      12.82918 
1 1 1 43  17 10 o 23.69676 6.617294 59.73521       58.81591 98.59157       63.35546 -182.6294      158.2296 26.70700 8.615540 20.68652 10.04623 6.020473       13.23459 
1 1 1 43  17 11 o 32.90920 7.584833 169.9934       58.55002 174.3764       62.07755 134.6817       176.1988 35.18508 7.520476 30.63332 13.17426 4.551754       15.16967 
1 1 1 43  17 12 o 22.40321 9.528878 52.79547       90.36157 52.79547       90.36157 0.000000       0.000000 22.40321 9.528878 ?        ?        ?              ?        
1 1 1 43  19 0  o 32.97806 5.922630 143.0016       47.76423 117.0026       69.09839 166.7925       66.09902 30.11158 8.879247 35.84453 7.840229 -5.732952      11.84526 
1 1 1 43  19 1  o 86.29465 3.068185 909.2873       63.98168 958.8898       93.22093 865.1111       87.97436 88.51121 4.353242 84.07809 4.324849 4.433121       6.136370 
1 1 1 43  19 2  o 67.18559 3.583318 559.2507       57.78520 487.6040       82.67133 627.6938       80.80197 62.86322 5.435707 71.50795 4.670521 -8.644733      7.166636 
1 1 1 43  19 3  o 61.98846 3.777735 475.0206       56.62247 464.9727       80.88613 484.6760       79.29025 61.31836 5.452318 62.65857 5.230425 -1.340206      7.555470 
1 1 1 43  19 4  o 69.68176 3.581656 599.4843       59.72842 488.9079       82.33320 722.3265       86.77958 62.79794 5.419101 76.56558 4.684698 -13.76764      7.163313 
1 1 1 43  19 5  o 109.6715 2.941309 1478.627       78.00543 1452.410       108.3022 1506.888       112.4472 108.6796 4.118951 110.6634 4.199934 -1.983742      5.882619 
1 1 1 43  19 6  o 88.62599 3.121914 971.1228       66.92857 974.8935       95.60662 967.4992       93.72401 88.77891 4.451188 88.47308 4.378622 0.3058243      6.243829 
1 1 1 43  19 7  o 50.50771 4.606567 326.6587       56.17788 312.6918       80.73773 339.7672       78.21726 49.35451 6.761567 51.66091 6.258039 -2.306400      9.213134 
1 1 1 43  19 8  o 18.62161 5.884586 -14.77510      54.32108 -31.92878      81.61893 -1.134964      72.78158 18.29867 8.341450 18.94455 8.302627 -0.6458759     11.76917 
1 1 1 43  19 9  o 67.92612 5.590769 616.4606       89.49997 683.6407       146.3474 576.3236       113.1194 70.09843 8.629274 65.75380 7.110725 4.344635       11.18154 
1 1 1 43  21 0  o 79.31922 4.523485 774.0638       86.80682 774.0638       86.80682 0.000000       0.000000 79.31922 4.523485 ?        ?        ?              ?        
1 1 1 43  21 1  o 86.40667 3.203009 918.0873       66.86976 854.8187       92.61922 986.9763       96.64547 83.27942 4.596858 89.53392 4.461610 -6.254501      6.406018 
1 1 1 43  21 2  o 56.78764 4.239218 406.7462       57.64422 345.4082       82.13493 466.2848       80.92111 52.37411 6.481998 61.20116 5.465122 -8.827045      8.478436 
1 1 1 43  21 3  o 43.50321 5.396374 248.3290       54.89380 232.1806       82.11732 261.3750       73.80878 41.61605 8.444517 45.39037 6.721127 -3.774311      10.79275 
1 1 1 43  21 4  o 23.84939 6.465908 57.71861       52.07815 73.06502       78.45148 45.62814       69.63373 25.37079 9.488732 22.32799 8.786114 3.042809       12.93182 
1 1 1 43  21 5  o 62.26525 5.389626 506.4197       75.17623 505.7704       133.3492 506.7222       91.01875 61.33508 8.986263 63.19543 5.953096 -1.860352      10.77925 
1 1 1 43  23 0  o 49.69441 4.727358 311.3201       56.35472 373.7252       84.58229 261.5027       75.57191 54.20831 6.449280 45.18051 6.913643 9.027805       9.454717 
1 1 1 44  0  0  o 149.1207 2.662955 2696.648       135.6728 2696.648       135.6728 2696.648       135.6728 149.1207 3.765987 149.1207 3.765987 0.000000       0.000000 
1 1 1 44  0  1  o 240.1498 3.431455 6991.942       281.6940 6991.942       281.6940 6991.942       281.6940 240.1498 4.852811 240.1498 4.852811 0.000000       0.000000 
1 1 1 44  0  2  o 268.8519 3.719223 8764.593       341.8279 8764.593       341.8279 8764.593       341.8279 268.8519 5.259776 268.8519 5.259776 0.000000       0.000000 
1 1 1 44  0  3  o 128.6922 2.641014 2009.853       116.0678 2009.853       116.0678 2009.853       116.0678 128.6922 3.734958 128.6922 3.734958 0.000000       0.000000 
1 1 1 44  0  4  o 196.1734 3.042174 4666.716       203.9716 4666.716       203.9716 4666.716       203.9716 196.1734 4.302284 196.1734 4.302284 0.000000       0.000000 
1 1 1 44  0  5  o 13.01031 5.911106 1.237240       60.07921 1.237240       60.07921 1.237240       60.07921 13.01031 8.359566 13.01031 8.359566 0.000000       0.000000 
1 1 1 44  0  6  o 217.2947 3.228626 5729.088       239.8012 5729.088       239.8012 5729.088       239.8012 217.2947 4.565967 217.2947 4.565967 0.000000       0.000000 
1 1 1 44  0  7  o 28.83061 6.603280 128.4582       57.58420 128.4582       57.58420 128.4582       57.58420 28.83061 9.338448 28.83061 9.338448 0.000000       0.000000 
1 1 1 44  0  8  o 45.76521 7.660167 295.3004       104.1443 295.3004       104.1443 295.3004       104.1443 45.76521 10.83311 45.76521 10.83311 0.000000       0.000000 
1 1 1 44  0  9  o 30.60369 6.408342 140.7924       58.36187 140.7924       58.36187 140.7924       58.36187 30.60369 9.062764 30.60369 9.062764 0.000000       0.000000 
1 1 1 44  0  10 o 10.96856 5.219825 -22.92624      56.04607 -22.92624      56.04607 -22.92624      56.04607 10.96856 7.381947 10.96856 7.381947 0.000000       0.000000 
1 1 1 44  0  11 o 52.04857 3.903185 341.8932       67.72150 341.8932       67.72150 341.8932       67.72150 52.04857 5.519937 52.04857 5.519937 0.000000       0.000000 
1 1 1 44  0  12 o 26.99545 7.430148 124.6200       65.43570 124.6200       65.43570 124.6200       65.43570 26.99545 10.50782 26.99545 10.50782 0.000000       0.000000 
1 1 1 44  0  13 o 11.29457 5.451454 -35.53316      65.61243 -35.53316      65.61243 -35.53316      65.61243 11.29457 7.709520 11.29457 7.709520 0.000000       0.000000 
1 1 1 44  0  14 o 11.45204 5.560583 -41.83897      70.56906 -41.83897      70.56906 -41.83897      70.56906 11.45204 7.863851 11.45204 7.863851 0.000000       0.000000 
1 1 1 44  0  15 o 8.444952 4.343736 -146.3185      71.53209 -146.3185      71.53209 -146.3185      71.53209 8.444952 6.142971 8.444952 6.142971 0.000000       0.000000 
1 1 1 44  0  16 o 10.91865 5.449323 -76.93106      81.69843 -76.93106      81.69843 -76.93106      81.69843 10.91865 7.706507 10.91865 7.706507 0.000000       0.000000 
1 1 1 44  2  0  o 288.9661 4.515021 10214.95       276.0663 10302.26       321.1608 9967.876       540.2620 291.5845 4.552561 286.3477 7.798451 5.236786       9.030042 
1 1 1 44  2  1  o 239.7937 3.983566 6721.844       192.2487 6529.747       216.6034 7434.860       417.3053 232.1863 3.855906 247.4010 6.971885 -15.21463      7.967132 
1 1 1 44  2  2  o 193.3407 3.447247 4643.333       142.6250 4779.407       167.8768 4290.304       270.4008 198.6595 3.492845 188.0220 5.944249 10.63742       6.894495 
1 1 1 44  2  3  o 99.03854 3.038119 1179.538       62.29089 1171.107       71.39339 1206.425       127.4859 98.34893 3.000448 99.72816 5.283747 -1.379234      6.076238 
1 1 1 44  2  4  o 140.2376 3.068482 2348.712       88.95922 2316.875       101.7370 2452.112       183.3459 138.3228 3.040064 142.1524 5.331073 -3.829544      6.136964 
1 1 1 44  2  5  o 67.49002 3.455610 555.8268       47.94728 558.6512       54.95156 546.8174       98.14249 67.90724 3.344734 67.07281 6.047951 0.8344345      6.911220 
1 1 1 44  2  6  o 118.7463 2.974246 1706.627       73.67884 1702.516       84.85957 1719.215       148.5051 118.5462 2.958767 118.9465 5.160450 -0.4002533     5.948491 
1 1 1 44  2  7  o 121.7066 3.023928 1823.891       76.48811 1848.424       88.29937 1750.149       153.0881 123.4953 2.955322 119.9179 5.276611 3.577438       6.047855 
1 1 1 44  2  8  f 93.77762 3.449448 1029.734       73.28664 959.6273       87.91517 1189.411       132.6793 88.84686 4.089963 98.70837 5.555805 -9.861504      6.898896 
1 1 1 44  2  9  o 139.4137 3.141049 2387.412       90.72675 2403.889       104.4317 2336.704       183.2042 140.6956 3.067958 138.1318 5.482006 2.563843       6.282098 
1 1 1 44  2  10 o 95.92546 3.356739 1168.483       64.69218 1204.651       73.98623 1051.041       133.3201 99.53481 3.072371 92.31612 5.969197 7.218681       6.713477 
1 1 1 44  2  11 o 17.08133 5.595458 -36.03494      43.91273 -33.50062      49.17655 -46.00833      97.55474 13.93485 6.398070 20.22782 9.181574 -6.292967      11.19092 
1 1 1 44  2  12 o 52.58778 4.997082 352.1291       57.46537 355.6771       68.38694 343.6050       106.0001 53.54799 5.278709 51.62757 8.486375 1.920422       9.994164 
1 1 1 44  2  13 o 96.73951 2.883396 1155.101       67.43443 1208.407       95.51321 1102.120       95.22085 99.00718 3.987442 94.47184 4.166078 4.535339       5.766793 
1 1 1 44  2  14 o 62.42602 3.916058 494.0788       59.08407 525.9889       84.89328 464.1010       82.28284 64.42701 5.446319 60.42502 5.628468 4.001987       7.832116 
1 1 1 44  2  15 o 22.59627 6.288612 49.47202       52.87424 95.74903       75.89105 5.819468       73.70769 26.15332 9.406051 19.03921 8.349418 7.114109       12.57722 
1 1 1 44  2  16 o 17.04374 5.609204 -31.11558      55.77222 -25.55136      83.69368 -35.56020      74.80101 17.71321 8.208963 16.37427 7.646281 1.338938       11.21841 
1 1 1 44  4  0  o 170.0074 3.254206 3479.194       114.6191 3457.547       131.4441 3547.888       234.1514 168.9890 3.214996 171.0259 5.658906 -2.036987      6.508411 
1 1 1 44  4  1  o 218.1344 3.718740 5805.866       170.2481 5842.642       197.0983 5697.799       337.8730 219.6367 3.709160 216.6320 6.446568 3.004761       7.437479 
1 1 1 44  4  2  o 85.75378 3.168279 930.9005       56.07719 971.0123       65.05212 814.8721       110.6388 89.55486 3.002410 81.95271 5.580098 7.602158       6.336557 
1 1 1 44  4  3  o 217.5489 3.725271 5822.153       171.2066 5909.958       199.3384 5575.253       334.2662 220.8742 3.730300 214.2236 6.449453 6.650589       7.450542 
1 1 1 44  4  4  o 221.9871 3.761931 6069.369       177.0137 6167.970       206.5393 5796.550       343.5558 225.6157 3.783826 218.3585 6.503167 7.257156       7.523863 
1 1 1 44  4  5  o 51.19205 4.187978 253.4974       44.00568 205.1657       48.95070 457.1089       100.4718 41.11218 4.921371 61.27193 6.777666 -20.15975      8.375957 
1 1 1 44  4  6  o 35.14740 5.774909 151.3230       40.53086 150.4477       45.06667 155.0268       92.70083 35.17485 5.295669 35.11995 10.26422 0.5490875E-01  11.54982 
1 1 1 44  4  7  f 218.7337 3.735418 5939.037       173.8184 6070.745       203.5810 5584.771       333.8852 223.6470 3.762460 213.8205 6.454246 9.826462       7.470837 
1 1 1 44  4  8  o 153.5600 3.245789 2909.367       104.1408 2947.505       120.5445 2797.145       206.7808 155.8380 3.197216 151.2821 5.649636 4.555862       6.491577 
1 1 1 44  4  9  o 59.19023 5.125274 499.5275       50.12934 532.1300       55.43474 353.2421       117.4241 66.14831 3.463865 52.23215 9.647557 13.91616       10.25055 
1 1 1 44  4  10 o 34.15002 6.247428 143.7439       43.45288 139.6588       48.11584 161.8085       101.1818 33.09609 6.237893 35.20396 10.82636 -2.107864      12.49486 
1 1 1 44  4  11 o 36.07074 6.137655 183.3386       46.35382 196.3491       51.83053 131.3504       103.6073 39.86559 5.373845 32.27588 11.03653 7.589710       12.27531 
1 1 1 44  4  12 o 58.44874 4.795760 431.0797       52.80906 430.9182       58.68909 431.7668       121.0437 59.20766 4.097106 57.68982 8.672426 1.517838       9.591520 
1 1 1 44  4  13 o 47.49333 5.842710 213.5419       53.48891 163.1068       58.30793 481.3801       134.3684 35.07279 7.114841 59.91388 9.269740 -24.84109      11.68542 
1 1 1 44  4  14 o 58.20778 6.204145 471.0430       62.94464 474.6054       69.57019 454.9673       147.7879 61.50810 4.675075 54.90746 11.49388 6.600636       12.40829 
1 1 1 44  4  15 o 55.31464 6.801060 345.3034       75.54652 262.2922       83.65751 712.1951       175.8756 42.63958 8.408220 67.98969 10.69203 -25.35011      13.60212 
1 1 1 44  6  0  o 89.08755 3.208807 961.8193       57.29682 961.7888       64.88153 961.9274       122.1195 89.13057 3.008792 89.04453 5.668594 0.8603668E-01  6.417615 
1 1 1 44  6  1  o 145.5865 3.148388 2521.879       93.03177 2483.655       105.4971 2655.562       197.2914 143.2243 3.044538 147.9486 5.511820 -4.724319      6.296775 
1 1 1 44  6  2  o 56.34365 4.331295 384.5356       48.11705 383.8409       54.13221 387.1505       105.0270 56.28473 3.975236 56.40256 7.696620 -0.1178284     8.662589 
1 1 1 44  6  3  o 204.5237 3.589739 5249.957       158.0133 5479.406       187.3879 4685.307       293.9596 212.6692 3.641955 196.3782 6.187170 16.29097       7.179479 
1 1 1 44  6  4  o 182.0553 3.428813 4058.507       129.6749 4094.163       149.4748 3950.030       260.7194 183.8327 3.360801 180.2778 5.977628 3.554962       6.857625 
1 1 1 44  6  5  o 370.8944 5.603019 16989.66       440.7989 17186.80       514.1234 16442.59       856.4450 375.9365 5.652629 365.8523 9.675900 10.08420       11.20604 
1 1 1 44  6  6  f 49.94228 5.123171 326.3451       44.91663 335.7073       49.73722 284.9494       104.5849 52.59582 3.908661 47.28874 9.471530 5.307076       10.24634 
1 1 1 44  6  7  o 58.52922 3.846646 363.7170       44.65009 329.0388       49.43077 517.4301       104.0696 52.04446 3.925731 65.01398 6.616296 -12.96952      7.693292 
1 1 1 44  6  8  o 49.71560 5.119919 301.4499       47.40153 296.4264       52.77295 322.4271       107.8402 49.32188 4.422517 50.10932 9.235562 -0.7874374     10.23984 
1 1 1 44  6  9  o 32.40174 6.204035 144.9154       45.38883 159.4062       50.17648 79.66686       106.4726 36.00512 5.760148 28.79836 10.99004 7.206751       12.40807 
1 1 1 44  6  10 o 37.71481 6.154919 210.8031       46.46537 229.9760       51.39766 125.0446       108.7023 43.27235 4.909425 32.15727 11.28848 11.11507       12.30984 
1 1 1 44  6  11 o 45.51985 5.738569 256.4699       48.13634 249.4102       53.21025 288.2808       112.9516 44.97421 4.890233 46.06550 10.38317 -1.091297      11.47714 
1 1 1 44  6  12 o 58.36523 5.027853 437.2485       53.78038 439.3223       59.41278 427.8406       126.5455 59.73421 4.111066 56.99624 9.176949 2.737972       10.05571 
1 1 1 44  6  13 o 31.65075 7.305382 115.5970       50.51439 102.8131       54.87641 186.5556       129.2873 27.58226 7.848495 35.71925 12.32378 -8.136984      14.61076 
1 1 1 44  6  14 o 26.89784 7.558968 69.50837       54.23307 58.66268       58.26713 139.7977       148.3337 22.14354 8.197970 31.65214 12.70218 -9.508600      15.11794 
1 1 1 44  6  15 o 34.42416 8.258771 144.6054       62.39167 111.0629       67.41344 344.9138       164.7399 27.24649 8.894520 41.60183 13.91821 -14.35533      16.51754 
1 1 1 44  8  0  o 163.9970 3.309569 3382.401       114.3652 3520.639       133.9255 3010.113       219.7806 170.5091 3.246486 157.4849 5.768303 13.02417       6.619139 
1 1 1 44  8  1  o 103.8842 3.245771 1314.770       67.90875 1319.965       77.12473 1296.847       143.2565 104.4074 3.053234 103.3610 5.728689 1.046379       6.491541 
1 1 1 44  8  2  o 71.71696 3.907532 637.0334       53.13460 645.0243       59.22144 604.0452       120.3268 72.97392 3.354354 70.46002 7.058578 2.513893       7.815063 
1 1 1 44  8  3  o 155.6514 3.294153 2885.815       103.3432 2843.823       116.8769 3036.288       221.2448 153.2246 3.152811 158.0781 5.784942 -4.853516      6.588305 
1 1 1 44  8  4  o 140.5172 3.261312 2530.229       95.28104 2676.398       111.4057 2132.064       183.8704 148.6284 3.098158 132.4061 5.739863 16.22229       6.522623 
1 1 1 44  8  5  o 208.2830 3.691310 5282.135       159.4580 5287.354       183.3275 5265.913       323.1776 208.7887 3.629263 207.7773 6.428959 1.011368       7.382619 
1 1 1 44  8  6  o 29.19387 5.964487 115.4564       40.74358 129.2898       45.13162 54.51517       94.72643 32.03190 6.045290 26.35585 10.28372 5.676046       11.92897 
1 1 1 44  8  7  o 79.69752 3.573284 716.8391       54.30209 683.5697       59.82172 872.5759       129.4292 75.03454 3.295304 84.36050 6.341483 -9.325958      7.146567 
1 1 1 44  8  8  o 116.1992 3.406920 1690.171       78.53154 1721.681       89.05779 1580.012       166.5161 119.0451 3.092134 113.3533 6.071831 5.691734       6.813840 
1 1 1 44  8  9  o 60.02090 4.384351 423.1561       48.90702 411.1628       53.70842 481.3802       118.3378 58.05724 3.823699 61.98457 7.891101 -3.927338      8.768703 
1 1 1 44  8  10 o 27.59272 6.479424 93.13580       44.15461 96.99558       49.00393 76.47829       101.8017 27.31952 7.281800 27.86592 10.71948 -0.5464039     12.95885 
1 1 1 44  8  11 o 24.97198 5.704953 83.06431       46.03995 124.1811       51.35297 -85.36585      103.9360 30.77301 7.048967 19.17095 8.972069 11.60206       11.40991 
1 1 1 44  8  12 o 75.11342 4.766965 804.3113       61.69941 851.8521       68.26297 592.1475       144.2074 83.35014 3.385139 66.87669 8.912725 16.47345       9.533931 
1 1 1 44  8  13 o 19.28967 6.105497 -2.038955      52.20592 24.70797       56.95507 -142.6532      130.5901 19.01013 7.781589 19.56920 9.410380 -0.5590706     12.21099 
1 1 1 44  8  14 o 18.98692 6.078658 -7.283152      55.67785 30.67615       59.57712 -269.1255      156.4733 19.44616 7.959223 18.52769 9.189728 0.9184647      12.15732 
1 1 1 44  8  15 o 25.87193 6.755525 108.5944       61.05185 140.5696       64.67548 -153.0042      184.9913 30.29248 8.485992 21.45138 10.51363 8.841101       13.51105 
1 1 1 44  10 0  o 101.6942 3.468414 1303.257       69.06113 1339.979       78.11385 1171.802       147.7935 105.1896 3.069397 98.19887 6.220803 6.990707       6.936828 
1 1 1 44  10 1  o 106.7837 3.346387 1365.914       70.35905 1353.567       78.97072 1413.444       154.9421 105.7157 3.087625 107.8517 5.937996 -2.136070      6.692774 
1 1 1 44  10 2  o 95.41395 3.733178 1187.432       67.66416 1244.699       76.22794 974.6580       146.9338 101.3657 3.108285 89.46218 6.788596 11.90353       7.466356 
1 1 1 44  10 3  o 246.6810 4.123205 7436.235       211.9510 7467.314       244.4338 7342.059       425.5046 248.0961 4.072293 245.2659 7.170754 2.830185       8.246410 
1 1 1 44  10 4  o 230.2993 3.916572 6566.822       190.2823 6687.079       221.6307 6229.625       371.1233 234.7454 3.902388 225.8533 6.791871 8.892075       7.833144 
1 1 1 44  10 5  o 192.2743 3.572335 4543.418       142.2285 4583.963       163.7392 4418.798       287.0608 194.3638 3.482049 190.1848 6.238723 4.179016       7.144671 
1 1 1 44  10 6  o 68.95667 4.205890 636.6514       53.82855 673.0836       60.43135 496.7281       118.4306 74.45461 3.354814 63.45872 7.713835 10.99589       8.411779 
1 1 1 44  10 7  o 153.1592 3.357072 2917.214       104.8261 2964.040       120.0961 2767.400       214.8138 156.1936 3.178069 150.1248 5.914356 6.068756       6.714144 
1 1 1 44  10 8  o 69.06990 4.120067 546.8351       55.17773 521.3101       61.13990 658.8936       128.1043 65.38069 3.865208 72.75911 7.277360 -7.378418      8.240134 
1 1 1 44  10 9  o 86.57294 3.908838 971.5937       62.65982 1000.197       69.75792 852.1119       142.5735 90.62155 3.181703 82.52431 7.140925 8.097237       7.817676 
1 1 1 44  10 10 o 30.24450 5.852192 144.2807       47.03367 177.5508       50.90010 -50.08923      123.0286 37.81966 5.562868 22.66935 10.29792 15.15031       11.70438 
1 1 1 44  10 11 o 35.59363 7.091622 142.0500       49.36593 125.9623       53.45340 235.3361       128.7175 30.82238 7.283600 40.36488 12.17019 -9.542500      14.18324 
1 1 1 44  10 12 o 38.14579 6.206407 270.2566       55.52985 319.4583       60.53414 9.044616       139.4784 50.53622 4.951028 25.75536 11.38267 24.78085       12.41281 
1 1 1 44  10 13 o 34.34574 7.929756 111.8823       56.76901 78.41473       60.93742 331.7073       156.1745 24.38271 8.457983 44.30877 13.41591 -19.92606      15.85951 
1 1 1 44  10 14 o 25.07176 6.866783 87.66641       61.71050 120.2184       65.55271 -165.8537      182.9397 28.39056 8.711385 21.75295 10.61709 6.637611       13.73357 
1 1 1 44  12 0  f 181.7718 2.960786 3997.240       130.0216 4214.061       190.1541 3806.854       178.1854 186.3854 4.216884 177.1582 4.157273 9.227127       5.921573 
1 1 1 44  12 1  o 98.62869 2.728424 1178.582       65.06203 1121.354       90.50360 1239.789       93.59759 96.15138 3.890524 101.1060 3.826357 -4.954613      5.456847 
1 1 1 44  12 2  f 78.89613 3.920552 729.8012       54.57358 717.4323       59.24742 799.0482       140.1857 76.93325 3.183120 80.85902 7.165936 -3.925774      7.841104 
1 1 1 44  12 3  o 116.3990 3.381363 1722.320       77.70623 1781.965       88.32984 1518.144       163.4278 121.2435 3.011249 111.5545 6.055315 9.689072       6.762725 
1 1 1 44  12 4  o 92.99355 3.271961 919.8766       59.51785 839.8167       65.64462 1289.708       141.0891 83.19690 3.261292 102.7902 5.673349 -19.59330      6.543922 
1 1 1 44  12 5  o 72.41541 4.068564 640.3138       54.21396 639.5221       59.72214 644.0214       129.2444 72.56116 3.401957 72.26965 7.391857 0.2915192      8.137129 
1 1 1 44  12 6  o 68.60403 4.279113 578.9468       53.55059 579.1473       58.89358 577.9893       128.6683 69.00155 3.527823 68.20650 7.797287 0.7950439      8.558226 
1 1 1 44  12 7  o 170.7042 3.473788 3636.859       122.4810 3700.274       141.2234 3444.378       246.0388 174.3603 3.347780 167.0481 6.087791 7.312180       6.947577 
1 1 1 44  12 8  o 91.08481 3.965808 961.4888       65.47944 930.9529       71.37162 1123.855       164.5767 87.39486 3.375494 94.77475 7.177505 -7.379890      7.931616 
1 1 1 44  12 9  o 64.33743 6.161624 653.2240       58.19919 702.0292       63.33650 388.4593       147.5201 75.80991 3.453232 52.86495 11.82952 22.94497       12.32325 
1 1 1 44  12 10 f 26.92763 6.811400 92.61365       51.58160 111.3046       55.43382 -28.01904      140.8286 28.93518 7.759183 24.92007 11.19713 4.015110       13.62280 
1 1 1 44  12 11 o 21.94312 6.891359 -12.48852      49.06554 -25.42697      52.49674 76.89471       137.9810 14.79507 6.723198 29.09116 12.03171 -14.29609      13.78272 
1 1 1 44  12 12 o 22.70694 7.282800 5.175260       52.56586 0.4782487      55.28908 49.36348       169.5828 16.80187 7.302366 28.61201 12.60286 -11.81014      14.56560 
1 1 1 44  12 13 o 39.41862 8.287971 180.4738       59.92434 151.5587       63.56506 411.4218       179.6442 32.44368 8.117968 46.39355 14.45200 -13.94988      16.57594 
1 1 1 44  12 14 o 42.87756 8.283177 189.5792       62.13330 136.4935       65.66756 643.3076       191.9817 29.57676 8.637424 56.17837 14.13644 -26.60161      16.56635 
1 1 1 44  14 0  o 53.53255 3.927614 352.5134       48.65741 229.2951       66.60123 493.5672       71.25854 43.34167 6.351472 63.72344 4.622059 -20.38177      7.855229 
1 1 1 44  14 1  o 70.49847 3.141846 601.5677       53.47289 557.2953       72.98350 652.8763       78.56923 67.70916 4.455279 73.28780 4.431171 -5.578636      6.283692 
1 1 1 44  14 2  o 151.6578 2.813001 2780.946       102.8991 2623.037       139.0384 2972.172       153.0048 146.9329 3.911231 156.3827 4.044029 -9.449768      5.626002 
1 1 1 44  14 3  o 144.8165 2.785503 2550.369       97.58501 2556.861       137.1669 2543.716       138.8607 145.0088 3.909785 144.6243 3.968588 0.3845215      5.571006 
1 1 1 44  14 4  o 54.84187 3.623313 368.1087       48.01420 348.5215       68.12081 387.4467       67.68595 53.37313 5.275393 56.31060 4.968280 -2.937466      7.246625 
1 1 1 44  14 5  o 57.97594 5.583596 458.7939       51.24451 473.2569       55.61716 377.5134       131.8477 62.34012 3.687558 53.61177 10.54078 8.728355       11.16719 
1 1 1 44  14 6  o 74.96795 4.173234 688.1075       58.27296 684.9160       64.38728 702.5580       137.0065 74.96967 3.549868 74.96623 7.553936 0.3433228E-02  8.346467 
1 1 1 44  14 7  o 79.74999 4.410627 768.3101       63.15382 757.6617       68.97198 823.5574       157.1034 78.78354 3.618553 80.71645 8.044912 -1.932907      8.821255 
1 1 1 44  14 8  o 92.16928 4.239141 969.0385       68.03837 931.9839       73.38900 1195.717       181.5163 87.33176 3.473413 97.00681 7.734125 -9.675056      8.478283 
1 1 1 44  14 9  o 32.14310 6.149308 172.0391       50.05664 203.4528       53.14359 -75.03867      149.0418 40.39343 5.437983 23.89278 11.03106 16.50065       12.29862 
1 1 1 44  14 10 o 66.42140 5.943978 619.1675       61.50903 633.6071       66.60644 535.5146       160.3170 71.69154 3.840131 61.15125 11.25064 10.54029       11.88796 
1 1 1 44  14 11 o 47.78963 7.187492 305.0709       57.07536 296.7251       61.09656 362.2844       159.9670 48.45465 5.211695 47.12461 13.39695 1.330036       14.37498 
1 1 1 44  14 12 o 55.87728 7.315280 442.0926       63.17256 433.4926       67.46675 503.2719       179.9455 58.42455 4.773008 53.33002 13.83010 5.094528       14.63056 
1 1 1 44  14 13 o 22.76274 6.805090 57.41465       62.20619 87.33988       65.73692 -198.9292      192.3987 24.41629 8.757067 21.10918 10.41877 3.307116       13.61018 
1 1 1 44  16 0  o 127.3144 2.770447 1970.793       85.20738 1964.252       117.2442 1978.116       124.0462 127.1084 3.812543 127.5204 4.020698 -0.4120331     5.540893 
1 1 1 44  16 1  o 88.06623 2.951353 945.1691       62.83561 973.1049       88.11289 916.2613       89.63255 89.40522 4.073562 86.72724 4.271770 2.677979       5.902705 
1 1 1 44  16 2  o 62.71550 3.494414 485.0344       52.09238 378.6490       73.06907 594.9914       74.28548 55.59172 5.432768 69.83928 4.396447 -14.24756      6.988828 
1 1 1 44  16 3  o 117.8865 3.785946 1693.092       107.9794 1693.092       107.9794 0.000000       0.000000 117.8865 3.785946 ?        ?        ?              ?        
1 1 1 44  16 4  o 92.15790 2.867210 1036.277       63.84686 1111.151       91.57121 965.4421       89.06705 95.41348 3.966860 88.90231 4.140966 6.511177       5.734421 
1 1 1 44  16 5  f 150.5192 2.827628 2768.938       102.9634 2727.007       144.6267 2812.033       146.6183 149.3625 4.002253 151.6758 3.995485 -2.313293      5.655257 
1 1 1 44  16 6  o 101.0190 2.960060 1250.973       72.34356 1257.447       102.6360 1244.581       101.9855 101.2779 4.188735 100.7601 4.183577 0.5177917      5.920119 
1 1 1 44  16 7  o 81.34508 5.081272 875.8114       82.40170 909.9250       94.40700 766.6865       168.8503 85.92399 4.541376 76.76616 9.091380 9.157829       10.16254 
1 1 1 44  16 8  o 103.8392 4.133985 1329.007       103.8562 1329.007       103.8562 0.000000       0.000000 103.8392 4.133985 ?        ?        ?              ?        
1 1 1 44  16 9  o 85.63100 4.654563 887.0894       68.24398 865.8466       73.66446 1015.705       181.2589 83.86018 3.630780 87.40181 8.571889 -3.541626      9.309127 
1 1 1 44  16 10 o 23.68669 7.307612 22.47304       55.65610 14.49525       59.72238 75.14574       153.4577 18.42483 7.787354 28.94855 12.36778 -10.52371      14.61522 
1 1 1 44  16 11 f 29.37699 7.712937 115.1069       57.29923 112.5351       61.15157 133.6109       164.0306 27.97184 8.378310 30.78213 12.95228 -2.810289      15.42587 
1 1 1 44  16 12 o 28.09651 10.09073 126.7386       87.31255 126.7386       87.31255 0.000000       0.000000 28.09651 10.09073 ?        ?        ?              ?        
1 1 1 44  18 0  o 43.16328 4.732375 234.5476       47.99580 205.9183       67.92265 263.0988       67.83006 40.13514 7.262347 46.19143 6.069579 -6.056290      9.464749 
1 1 1 44  18 1  o 175.0404 2.989662 3735.744       126.4061 3606.264       172.9367 3884.281       185.2257 171.8189 4.160197 178.2620 4.294773 -6.443069      5.979324 
1 1 1 44  18 2  o 35.80594 5.301334 177.4027       48.49753 48.85494       71.28640 288.1626       66.17068 23.28130 8.966162 48.33059 5.659020 -25.04929      10.60267 
1 1 1 44  18 3  o 62.28470 3.603576 480.4854       53.58335 388.6536       75.15289 575.4390       76.41960 56.09603 5.537467 68.47337 4.612972 -12.37733      7.207153 
1 1 1 44  18 4  o 93.90402 3.026287 1077.023       68.48523 951.6921       93.79948 1220.112       100.2250 88.04041 4.403684 99.76763 4.152255 -11.72723      6.052574 
1 1 1 44  18 5  o 63.37502 3.660012 497.1808       56.10261 511.5214       80.41618 483.5822       78.30797 64.26602 5.172014 62.48401 5.180059 1.782009       7.320023 
1 1 1 44  18 6  o 25.51149 6.276003 79.74090       47.41264 76.39099       70.13039 82.56096       64.34568 25.34571 9.049776 25.67728 8.697955 -0.3315716     12.55201 
1 1 1 44  18 7  o 22.03388 6.191820 40.53600       49.75588 58.06462       71.06879 23.68450       69.68257 23.50985 8.977155 20.55791 8.530252 2.951937       12.38364 
1 1 1 44  18 8  o 64.19917 4.138184 524.3967       64.03445 470.7985       89.93661 579.5031       91.19324 60.72226 6.121901 67.67608 5.569614 -6.953815      8.276368 
1 1 1 44  18 9  f 48.02007 7.496519 418.0903       63.75781 445.8772       68.12582 222.0107       180.9706 59.49662 4.732789 36.54351 14.22645 22.95310       14.99304 
1 1 1 44  18 10 o 48.76911 7.892901 330.1532       93.12875 330.1532       93.12875 0.000000       0.000000 48.76911 7.892901 ?        ?        ?              ?        
1 1 1 44  20 0  o 59.18180 3.848730 433.3134       55.06592 417.2746       78.23472 449.0607       77.52014 58.06583 5.568991 60.29776 5.313872 -2.231926      7.697461 
1 1 1 44  20 1  o 61.21716 3.696533 459.6648       54.53198 516.3241       81.12649 412.9628       73.65368 64.64224 5.187331 57.79208 5.267734 6.850166       7.393066 
1 1 1 44  20 2  o 65.82922 3.683359 536.2783       58.61593 544.3224       84.85789 528.9375       81.06314 66.27664 5.292116 65.38179 5.124651 0.8948517      7.366719 
1 1 1 44  20 3  o 30.70614 6.408865 124.8762       50.60343 137.0849       76.60791 115.4256       67.40104 31.92043 9.331336 29.49186 8.787513 2.428568       12.81773 
1 1 1 44  20 4  o 56.16958 4.232203 395.7890       57.41994 410.2214       84.13426 383.2056       78.56013 57.08826 6.091493 55.25090 5.877066 1.837364       8.464407 
1 1 1 44  20 5  o 28.36656 6.499272 107.4625       50.87527 102.5165       76.40158 111.4028       68.19308 27.98348 9.477831 28.74964 8.895667 -0.7661591     12.99854 
1 1 1 44  20 6  o 17.56148 5.834222 -55.53624      57.94776 -131.5883      115.2886 -29.82748      67.03034 18.47511 8.873269 16.64785 7.577445 1.827263       11.66844 
1 1 1 44  20 7  o 52.01398 6.980108 405.7378       80.02171 324.4497       135.0374 449.7323       99.34355 45.49578 12.06955 58.53219 7.015241 -13.03641      13.96022 
1 1 1 44  22 0  o 86.93553 3.231452 932.3592       67.86169 885.6254       92.88610 985.8615       99.38503 84.61960 4.537091 89.25146 4.602602 -4.631866      6.462904 
1 1 1 44  22 1  o 54.47347 4.344162 374.2068       57.16428 403.9587       82.36336 346.5553       79.40291 56.60756 6.013916 52.33938 6.270548 4.268173       8.688323 
1 1 1 44  22 2  o 89.87613 4.283277 1011.640       91.28127 1076.978       145.9480 969.6609       116.9861 91.88657 6.565137 87.86570 5.503164 4.020866       8.566553 
1 1 1 45  1  0  f 503.4545 6.381716 30861.01       777.0733 31342.66       1116.027 30407.76       1082.629 507.2394 9.094096 499.6696 8.955592 7.569763       12.76343 
1 1 1 45  1  1  o 169.8580 2.799099 3493.549       115.0049 3411.619       160.7790 3579.390       164.5702 167.8195 3.959903 171.8965 3.957144 -4.077011      5.598198 
1 1 1 45  1  2  o 326.0743 4.338749 12860.78       341.3683 13539.20       505.6802 12292.74       462.7117 333.9221 6.259340 318.2266 6.009962 15.69547       8.677499 
1 1 1 45  1  3  o 36.11800 5.489059 166.9845       46.15555 183.4296       58.71796 140.3926       74.66646 38.86149 6.245241 33.37450 9.028625 5.486992       10.97812 
1 1 1 45  1  4  o 233.6930 3.898789 6649.142       190.9342 6668.178       220.7005 6592.504       380.6876 234.5719 3.888884 232.8140 6.758611 1.757950       7.797579 
1 1 1 45  1  5  o 228.5172 3.890408 6060.813       177.3777 5855.962       198.9622 6854.253       391.5693 219.7973 3.741502 237.2371 6.822189 -17.43974      7.780817 
1 1 1 45  1  6  o 162.3087 3.211718 3211.565       109.1610 3224.081       126.1679 3174.301       217.7042 163.0983 3.197400 161.5190 5.571101 1.579391       6.423437 
1 1 1 45  1  7  o 167.7424 3.255714 3376.260       112.6741 3335.992       128.8124 3507.436       232.4911 165.8592 3.210078 169.6256 5.665165 -3.766373      6.511429 
1 1 1 45  1  8  o 33.80428 7.268833 139.4688       64.90202 107.7335       85.79967 181.9155       99.22843 30.07057 10.04455 37.53799 10.50956 -7.467419      14.53767 
1 1 1 45  1  9  o 98.00156 3.289403 1214.417       65.61961 1252.498       75.44685 1096.133       132.9680 101.5366 3.071257 94.46650 5.817909 7.070107       6.578806 
1 1 1 45  1  10 o 67.08359 4.090715 569.8094       59.57879 590.4008       70.96648 520.6425       109.6596 69.49599 4.220766 64.67119 7.008632 4.824806       8.181430 
1 1 1 45  1  11 o 72.38908 3.093204 643.4354       54.13794 663.3685       76.10487 623.0156       77.02872 73.54741 4.277034 71.23074 4.469747 2.316666       6.186409 
1 1 1 45  1  12 o 73.50157 3.179053 665.7255       56.49319 633.9647       78.45451 699.9281       81.41456 71.67396 4.524329 75.32919 4.467211 -3.655228      6.358107 
1 1 1 45  1  13 o 53.84379 4.226014 370.3435       54.00604 451.9607       76.66348 289.9389       76.09188 60.05363 5.276513 47.63395 6.602666 12.41967       8.452028 
1 1 1 45  1  14 o 19.06350 5.908442 0.7442706E-01  52.23190 8.560935       73.07510 -8.790212      74.68535 19.50207 8.435424 18.62493 8.275409 0.8771420      11.81688 
1 1 1 45  1  15 o 29.97945 6.554984 135.9834       55.02184 87.33077       79.45115 180.8198       76.27148 25.24951 9.527561 34.70940 9.005379 -9.459883      13.10997 
1 1 1 45  3  0  o 91.40918 3.151276 1052.003       59.05666 1089.904       68.16238 937.8940       118.2715 94.88381 2.969275 87.93456 5.559277 6.949257       6.302551 
1 1 1 45  3  1  o 61.65157 3.583803 424.6731       46.02894 393.5477       52.19196 533.6110       97.64185 57.00005 3.784653 66.30310 6.086952 -9.303051      7.167606 
1 1 1 45  3  2  o 239.8912 3.982248 6792.480       194.4347 6637.113       220.3684 7338.489       413.1139 234.0621 3.891490 245.7203 6.949064 -11.65820      7.964495 
1 1 1 45  3  3  o 40.93314 5.532013 283.8231       43.55188 340.5672       49.40079 85.85366       92.27256 53.01740 3.851352 28.84887 10.37207 24.16853       11.06403 
1 1 1 45  3  4  o 133.3165 3.064586 2214.786       85.93916 2280.139       100.2260 2033.314       167.0145 137.2139 3.019116 129.4190 5.334012 7.794922       6.129171 
1 1 1 45  3  5  o 138.2371 3.081144 2329.723       88.47292 2340.627       101.8689 2296.252       178.4834 139.0027 3.029117 137.4715 5.366400 1.531250       6.162288 
1 1 1 45  3  6  f 57.86089 4.293908 437.8429       47.37833 459.2739       53.46211 359.4290       102.2638 61.53830 3.590859 54.18347 7.801046 7.354832       8.587816 
1 1 1 45  3  7  o 84.92422 3.280205 870.3246       55.88811 864.8995       63.22708 889.7085       119.5147 84.45296 3.094467 85.39550 5.784743 -0.9425430     6.560410 
1 1 1 45  3  8  o 94.05662 3.408048 1149.619       65.29537 1220.178       75.75655 945.7466       128.7724 100.2603 3.123121 87.85291 6.058489 12.40742       6.816096 
1 1 1 45  3  9  o 135.3393 3.199665 2248.187       88.88300 2258.069       101.8180 2216.538       182.2146 136.3167 3.087261 134.3619 5.605377 1.954773       6.399331 
1 1 1 45  3  10 o 37.35117 5.986414 222.7554       46.04999 253.6195       51.04588 87.82867       106.7292 45.48936 4.638191 29.21299 11.03793 16.27637       11.97283 
1 1 1 45  3  11 o 48.31870 5.491148 294.0421       48.86808 290.2797       54.30692 310.0536       112.0315 48.58244 4.620336 48.05497 9.963098 0.5274734      10.98230 
1 1 1 45  3  12 o 54.05900 4.785990 349.6751       51.94618 334.1904       58.40202 408.3283       113.6639 51.99168 4.642925 56.12631 8.370547 -4.134624      9.571980 
1 1 1 45  3  13 o 78.51041 4.039522 762.1611       60.83694 751.8820       67.76247 804.8781       138.1373 78.17007 3.582997 78.85075 7.241069 -0.6806793     8.079043 
1 1 1 45  3  14 o 102.3260 3.057917 1308.243       75.48090 1447.070       108.5711 1178.374       105.0102 107.6954 4.166915 96.95661 4.476634 10.73882       6.115835 
1 1 1 45  3  15 o 21.43490 6.255335 40.61398       53.88148 9.330875       77.84963 69.37910       74.65083 19.42977 8.549264 23.44003 9.133836 -4.010267      12.51067 
1 1 1 45  5  0  f 230.2451 3.871472 6386.533       184.5928 6345.687       211.6484 6516.359       377.3301 228.8809 3.822109 231.6094 6.733844 -2.728485      7.742944 
1 1 1 45  5  1  o 196.1150 3.540729 4497.148       139.9879 4369.329       157.8323 4968.471       303.0807 189.9428 3.434558 202.2872 6.192806 -12.34445      7.081457 
1 1 1 45  5  2  o 236.7509 3.932183 6856.561       196.1787 6913.994       227.7223 6691.255       386.3398 238.8785 3.940273 234.6233 6.806064 4.255219       7.864366 
1 1 1 45  5  3  o 224.9350 3.803815 6218.769       180.8870 6303.364       210.6176 5980.964       353.1278 228.0759 3.816919 221.7940 6.580818 6.281937       7.607630 
1 1 1 45  5  4  o 62.49715 4.165358 487.5778       48.38643 495.1317       53.66229 454.7293       111.9031 63.92402 3.469787 61.07029 7.573732 2.853733       8.330716 
1 1 1 45  5  5  o 212.8275 3.700936 5592.863       166.3335 5688.313       193.7536 5325.402       324.3329 216.5891 3.697523 209.0659 6.412178 7.523254       7.401872 
1 1 1 45  5  6  o 27.09226 6.050437 56.79776       38.98566 31.02164       43.56716 160.3807       87.33625 18.68736 7.054311 35.49715 9.831983 -16.80979      12.10087 
1 1 1 45  5  7  o 155.0689 3.209383 3009.493       104.4852 3100.164       121.7899 2756.692       203.3603 159.8578 3.149017 150.2799 5.593233 9.577942       6.418766 
1 1 1 45  5  8  o 83.42723 3.530496 823.9050       58.36371 805.0534       65.47269 896.8471       128.7880 81.40149 3.324493 85.45297 6.229394 -4.051483      7.060992 
1 1 1 45  5  9  o 105.2067 3.362099 1365.255       69.48268 1373.076       78.25202 1336.109       151.0592 106.2845 3.043149 104.1288 5.996173 2.155739       6.724199 
1 1 1 45  5  10 o 73.15106 3.951633 648.7585       56.10981 640.8196       62.67945 680.7853       125.8938 72.47953 3.574436 73.82259 7.048761 -1.343056      7.903267 
1 1 1 45  5  11 o 61.30084 4.762116 480.3931       53.28561 485.3168       58.83912 457.9417       125.6440 62.94589 3.863638 59.65579 8.705359 3.290104       9.524232 
1 1 1 45  5  12 o 55.46755 5.927214 455.1646       55.16204 484.1065       61.18839 329.5657       127.4671 62.70407 4.033397 48.23103 11.14716 14.47304       11.85443 
1 1 1 45  5  13 o 28.56488 7.236613 92.12887       51.66251 82.10861       56.82129 139.9167       124.0882 25.00636 8.166044 32.12340 11.94948 -7.117046      14.47323 
1 1 1 45  5  14 o 18.18214 5.914261 -22.70144      54.83344 16.89038       58.90930 -279.4765      150.0229 18.36778 7.747109 17.99650 8.938470 0.3712845      11.82852 
1 1 1 45  5  15 o 25.99152 7.710950 66.86209       60.14996 50.71587       64.78960 167.6383       161.8635 21.13011 8.423925 30.85294 12.91791 -9.722832      15.42190 
1 1 1 45  7  0  o 294.1769 4.616681 10605.53       286.9078 10705.13       333.5816 10322.43       562.3945 297.1624 4.639870 291.1914 7.982892 5.971008       9.233361 
1 1 1 45  7  1  o 151.2145 3.226866 2816.235       101.6269 2860.313       117.4946 2685.306       202.5007 153.6880 3.159916 148.7409 5.627219 4.947113       6.453732 
1 1 1 45  7  2  o 54.23672 4.611572 355.7845       47.61293 354.6462       52.92287 360.6187       109.0594 54.09338 4.043868 54.38006 8.289363 -0.2866783     9.223145 
1 1 1 45  7  3  o 104.5696 3.460981 1459.264       71.31664 1577.460       82.15320 1097.799       143.6673 114.1258 2.975351 95.01341 6.249868 19.11243       6.921962 
1 1 1 45  7  4  o 215.2176 3.732846 5798.148       171.7443 6006.887       202.4530 5262.344       324.3585 222.5778 3.759585 207.8574 6.449967 14.72041       7.465692 
1 1 1 45  7  5  o 192.5453 3.548443 4554.927       142.0869 4601.222       163.9483 4415.229       284.7977 194.7881 3.478901 190.3025 6.185711 4.485657       7.096885 
1 1 1 45  7  6  o 108.4342 3.193161 1492.686       70.29221 1550.700       80.87475 1313.504       142.1336 113.0938 2.955779 103.7746 5.661137 9.319199       6.386322 
1 1 1 45  7  7  o 146.9597 3.193775 2715.698       97.93420 2805.327       113.9062 2461.630       191.7775 152.0324 3.096769 141.8871 5.586663 10.14537       6.387549 
1 1 1 45  7  8  o 15.82274 5.324850 -46.46117      42.14386 -27.35341      45.59687 -158.4771      110.4002 13.73798 6.251692 17.90749 8.621627 -4.169503      10.64970 
1 1 1 45  7  9  o 79.25459 3.834355 717.9189       57.08209 687.9161       62.68317 863.6526       138.1496 75.14973 3.447634 83.35946 6.850031 -8.209732      7.668710 
1 1 1 45  7  10 o 30.64266 6.131155 138.8871       46.88824 163.1725       50.98073 5.583581       119.4411 36.28211 5.807794 25.00321 10.79971 11.27890       12.26231 
1 1 1 45  7  11 o 40.32434 6.448121 205.1576       48.78232 200.0208       53.34195 231.4099       120.5874 40.09777 5.498526 40.55090 11.66530 -0.4531326     12.89624 
1 1 1 45  7  12 o 40.26448 6.399904 268.7462       52.20317 300.9177       57.65728 122.4271       122.9613 49.17906 4.845869 31.34990 11.84705 17.82916       12.79981 
1 1 1 45  7  13 o 32.77670 7.442585 106.7693       52.92695 77.21024       57.62963 266.0321       133.7697 24.33401 8.231582 41.21940 12.40199 -16.88539      14.88517 
1 1 1 45  7  14 o 14.09016 4.963074 -126.4407      54.32740 -74.95463      58.48919 -450.0893      146.6451 13.01627 6.268920 15.16406 7.696041 -2.147785      9.926147 
1 1 1 45  7  15 o 22.48895 6.640254 57.33225       62.10717 93.30612       66.19473 -207.2576      179.5215 24.88383 8.802030 20.09407 9.944654 4.789759       13.28051 
1 1 1 45  9  0  o 86.90202 3.756209 998.4008       62.56147 1060.124       70.96492 783.1053       132.5374 93.56113 3.135061 80.24291 6.826992 13.31821       7.512418 
1 1 1 45  9  1  o 188.0693 3.535479 4490.177       141.9927 4744.235       168.2735 3861.987       264.6031 197.8834 3.514827 178.2552 6.135507 19.62823       7.070958 
1 1 1 45  9  2  o 53.08772 5.674889 411.4781       50.54730 446.1826       56.20277 264.6044       115.6211 60.66874 3.829045 45.50670 10.68438 15.16204       11.34978 
1 1 1 45  9  3  o 89.88062 3.484235 971.6653       60.85478 965.1805       68.03347 997.6205       136.1093 89.24802 3.150807 90.51323 6.215464 -1.265213      6.968470 
1 1 1 45  9  4  o 160.0327 3.334984 3100.497       108.2109 3090.735       123.0321 3133.849       227.4117 159.6768 3.184742 160.3885 5.860537 -0.7116547     6.669968 
1 1 1 45  9  5  f 196.1685 3.601629 4707.793       145.8810 4728.615       167.5272 4642.475       296.7144 197.4051 3.507717 194.9318 6.291491 2.473297       7.203259 
1 1 1 45  9  6  o 167.4400 3.347979 3350.294       113.4073 3297.104       128.4465 3538.370       241.5324 164.8129 3.221283 170.0672 5.870196 -5.254349      6.695959 
1 1 1 45  9  7  o 105.7609 3.282526 1338.977       68.57308 1319.890       76.98738 1412.255       150.8490 104.2477 3.052466 107.2742 5.812259 -3.026535      6.565052 
1 1 1 45  9  8  o 47.79031 6.096586 310.1401       49.68946 318.7775       54.32531 265.9131       122.9290 51.06612 4.397106 44.51450 11.37273 6.551628       12.19317 
1 1 1 45  9  9  o 40.66700 6.318181 242.6921       48.25759 259.2822       53.01612 162.5223       116.5437 45.94621 4.769314 35.38778 11.70176 10.55843       12.63636 
1 1 1 45  9  10 o 28.55424 6.991757 89.42345       45.65900 85.73621       49.22596 112.1356       122.1723 25.71542 7.469353 31.39305 11.82148 -5.677629      13.98351 
1 1 1 45  9  11 o 27.76450 6.998114 89.37772       47.50048 89.88155       51.30467 86.35336       125.6996 26.12737 7.635914 29.40162 11.72976 -3.274242      13.99623 
1 1 1 45  9  12 o 32.32857 7.350449 138.5508       53.25412 138.4039       57.48284 139.4408       141.4622 31.99957 7.547352 32.65757 12.61562 -0.6580029     14.70090 
1 1 1 45  9  13 o 50.10937 7.248694 441.1456       71.75813 495.7278       80.92481 240.3331       155.2213 62.36964 5.362980 37.84909 13.46895 24.52054       14.49739 
1 1 1 45  9  14 o 30.75673 7.040192 163.4507       60.07357 183.9973       64.01698 11.92148       173.8494 35.91874 7.603621 25.59472 11.85083 10.32403       14.08038 
1 1 1 45  11 0  o 115.2638 3.470403 1741.933       79.24824 1854.968       91.00481 1387.270       161.2004 123.7469 3.039679 106.7807 6.239803 16.96619       6.940806 
1 1 1 45  11 1  o 67.11176 4.531507 609.1859       55.75911 648.3280       62.50943 456.7520       123.3573 73.13194 3.532939 61.09159 8.346049 12.04034       9.063013 
1 1 1 45  11 2  o 157.3306 3.383306 3034.848       108.2579 3058.583       123.5868 2956.573       224.4289 158.8528 3.215695 155.8083 5.953683 3.044479       6.766612 
1 1 1 45  11 3  o 224.3845 3.866123 6206.521       182.0988 6285.328       211.2454 5978.584       359.2639 227.5694 3.836818 221.1997 6.713156 6.369659       7.732246 
1 1 1 45  11 4  o 32.98690 6.556848 117.1865       43.29516 106.5319       47.20778 173.5872       108.6144 28.92284 6.851666 37.05096 11.18140 -8.128120      13.11370 
1 1 1 45  11 5  o 242.1968 4.108104 7130.176       203.7451 7088.677       232.5800 7267.103       422.4689 241.4217 3.981931 242.9719 7.186814 -1.550171      8.216208 
1 1 1 45  11 6  o 53.95251 5.137384 393.9898       48.24672 411.0838       53.59937 320.9994       110.7570 58.11257 3.812302 49.79245 9.541344 8.320126       10.27477 
1 1 1 45  11 7  o 37.21330 6.474554 182.3929       47.71017 187.0833       52.28840 159.0720       116.5925 39.00605 5.540781 35.42056 11.70381 3.585499       12.94911 
1 1 1 45  11 8  f 60.11707 4.715675 393.8610       54.49960 361.8090       59.86668 548.9590       131.6923 54.32231 4.555170 65.91183 8.258377 -11.58952      9.431350 
1 1 1 45  11 9  o 43.11533 6.425372 241.5333       50.04434 240.6467       54.62625 246.1630       124.8305 44.13877 5.115391 42.09189 11.78874 2.046883       12.85074 
1 1 1 45  11 10 o 29.51896 6.792806 119.9991       49.52487 133.5932       53.29724 34.03926       134.0226 31.85482 7.097237 27.18310 11.58439 4.671726       13.58561 
1 1 1 45  11 11 o 37.17757 6.921175 104.0514       52.51779 54.68093       56.80750 394.4081       137.7647 22.03783 8.106150 52.31731 11.22056 -30.27948      13.84235 
1 1 1 45  11 12 o 61.57608 5.658017 429.7311       59.89335 399.2128       64.20879 634.1464       166.1770 56.41336 4.704464 66.73879 10.29177 -10.32543      11.31603 
1 1 1 45  11 13 o 48.72365 7.516843 370.4378       64.24749 372.7310       69.48772 356.9304       168.6421 53.79663 5.338887 43.65067 14.05375 10.14596       15.03369 
1 1 1 45  11 14 o 38.41873 8.618869 166.2349       62.81976 121.7574       66.54318 530.6365       190.4687 27.89497 8.811935 48.94250 14.81517 -21.04753      17.23774 
1 1 1 45  13 0  f 112.3200 2.707748 1528.937       73.52363 1615.728       105.8794 1448.112       102.1757 115.3980 3.792371 109.2420 3.865945 6.155991       5.415497 
1 1 1 45  13 1  o 42.39148 4.503394 222.9145       44.63265 264.3493       64.14063 184.0158       62.14679 46.57335 5.692374 38.20961 6.979907 8.363735       9.006788 
1 1 1 45  13 2  o 113.4911 2.663958 1564.386       73.12459 1599.448       103.0597 1528.839       103.7716 114.7783 3.711304 112.2039 3.822683 2.574486       5.327916 
1 1 1 45  13 3  o 93.03825 3.764524 1161.325       65.08940 1231.919       73.16686 893.5157       142.5098 100.7718 3.001050 85.30473 6.905090 15.46703       7.529048 
1 1 1 45  13 4  o 29.99338 6.628017 110.4616       44.17020 114.7186       47.90440 86.30578       114.1133 29.95578 6.769257 30.03099 11.39735 -0.7521439E-01 13.25603 
1 1 1 45  13 5  o 91.65888 3.748984 1025.239       63.53373 1022.824       70.06627 1036.407       150.6846 91.73960 3.156820 91.57816 6.801031 0.1614380      7.497968 
1 1 1 45  13 6  o 47.02856 6.027922 242.5158       48.72239 225.5159       52.46099 349.1969       131.4185 42.87012 5.058007 51.18700 10.94349 -8.316883      12.05584 
1 1 1 45  13 7  o 100.8479 3.622185 1210.999       70.13526 1185.418       77.88824 1320.642       161.2533 98.64127 3.263705 103.0545 6.467545 -4.413208      7.244371 
1 1 1 45  13 8  o 46.30107 7.358772 268.5187       53.31989 263.8659       56.26827 309.4586       166.9089 46.23221 5.030563 46.36994 13.83111 -0.1377296     14.71754 
1 1 1 45  13 9  o 72.50693 4.528473 594.8719       57.49371 566.7763       62.00755 767.0435       153.4990 67.96562 3.770969 77.04823 8.234566 -9.082603      9.056947 
1 1 1 45  13 10 o 44.44247 6.588329 207.1523       53.90594 173.0587       58.52922 397.7394       138.3832 36.23632 6.928680 52.64861 11.20793 -16.41230      13.17666 
1 1 1 45  13 11 o 28.99053 7.640697 96.26657       52.66613 92.67673       55.85447 125.0446       158.1435 26.13981 8.044600 31.84126 12.99251 -5.701448      15.28139 
1 1 1 45  13 12 o 28.86434 7.955586 92.19782       56.64763 81.72717       60.06958 176.3236       170.2677 24.50049 8.403284 33.22818 13.51111 -8.727688      15.91117 
1 1 1 45  13 13 o 43.10417 8.000208 303.5330       65.52083 297.1024       69.73775 351.9334       191.3228 47.06065 6.125023 39.14769 14.78166 7.912960       16.00042 
1 1 1 45  15 0  o 198.4949 3.124216 4785.192       149.8801 5035.098       217.8980 4560.776       206.4869 203.4010 4.427900 193.5887 4.408696 9.812363       6.248431 
1 1 1 45  15 1  o 78.22424 3.000099 744.7285       56.76065 740.3230       79.19968 749.3809       81.38841 77.99161 4.197332 78.45686 4.287748 -0.4652557     6.000198 
1 1 1 45  15 2  o 51.13136 3.921590 320.5726       48.18548 274.4199       67.24412 369.2829       69.08217 47.30546 5.875444 54.95726 5.195634 -7.651794      7.843179 
1 1 1 45  15 3  o 37.02898 5.211204 176.3387       45.55716 122.8155       64.46945 229.7230       64.38573 30.85565 8.407203 43.20231 6.159995 -12.34666      10.42241 
1 1 1 45  15 4  o 37.60624 5.191498 178.1075       46.08498 232.4807       67.96613 131.8339       62.69992 43.35574 6.479533 31.85674 8.113092 11.49900       10.38300 
1 1 1 45  15 5  o 110.2114 2.785449 1483.588       74.25950 1474.062       105.7817 1492.844       104.2721 109.8517 3.980172 110.5712 3.897838 -0.7195663     5.570899 
1 1 1 45  15 6  o 77.41063 4.215552 658.6597       60.83648 615.4019       66.38317 885.5443       152.0296 70.94337 3.867621 83.87790 7.491665 -12.93453      8.431105 
1 1 1 45  15 7  o 50.06660 7.168429 354.0088       65.38093 365.0078       72.09039 303.0339       155.1953 54.23013 5.494578 45.90306 13.24217 8.327072       14.33686 
1 1 1 45  15 8  o 57.29552 5.581929 410.0675       77.37618 410.0675       77.37618 0.000000       0.000000 57.29552 5.581929 ?        ?        ?              ?        
1 1 1 45  15 9  f 48.40820 6.943823 281.7190       55.93776 266.1379       59.85190 389.2921       157.2642 46.06116 5.370821 50.75525 12.80707 -4.694088      13.88765 
1 1 1 45  15 10 o 56.01078 6.458037 425.6049       60.01692 422.3364       65.22216 443.6645       153.3128 58.09318 4.640532 53.92837 12.05365 4.164810       12.91607 
1 1 1 45  15 11 o 21.98785 6.778551 35.27021       52.79495 49.81124       55.60059 -98.00119      168.3257 20.90831 7.950712 23.06740 10.98095 -2.159092      13.55710 
1 1 1 45  15 12 o 26.27162 7.977815 63.13467       61.59679 47.79433       65.30925 186.6746       185.3365 20.90370 8.414411 31.63955 13.55654 -10.73585      15.95563 
1 1 1 45  17 0  o 50.99172 3.874968 318.9520       47.77848 316.9062       66.38783 321.1501       68.81551 50.83278 5.398118 51.15067 5.560741 -0.3178864     7.749937 
1 1 1 45  17 1  o 65.18930 3.494337 522.8414       54.55081 434.0143       76.49376 614.7664       77.81622 59.46595 5.316862 70.91266 4.535697 -11.44671      6.988675 
1 1 1 45  17 2  o 18.40823 5.509375 -2.655690      43.19564 31.44936       64.78835 -29.94750      57.95671 21.13004 8.423862 15.68643 7.102916 5.443602       11.01875 
1 1 1 45  17 3  o 123.9898 2.774988 1874.926       83.06763 1835.247       113.3501 1920.957       122.0865 122.6061 3.821269 125.3736 4.024940 -2.767464      5.549976 
1 1 1 45  17 4  o 73.28471 3.272259 658.9589       57.67963 567.4680       79.89828 758.5355       83.35406 67.92004 4.862249 78.64939 4.380555 -10.72935      6.544519 
1 1 1 45  17 5  o 46.03770 4.997048 283.6074       50.80700 169.2971       72.62677 393.1664       71.10140 35.69172 8.527296 56.38368 5.212216 -20.69197      9.994097 
1 1 1 45  17 6  o 40.78751 5.231654 218.3758       49.58920 159.1717       69.88682 278.4101       70.37515 34.46120 8.447614 47.11382 6.174030 -12.65261      10.46331 
1 1 1 45  17 7  o 116.4271 2.851167 1661.372       80.09382 1536.116       108.6745 1810.307       118.5020 111.6542 4.023004 121.2001 4.041295 -9.545914      5.702335 
1 1 1 45  17 8  o 47.15947 7.918596 250.7751       59.83712 230.5718       63.01320 436.1689       190.8835 42.57287 6.117815 51.74607 14.60784 -9.173206      15.83719 
1 1 1 45  17 9  o 26.08844 7.068379 86.25845       56.19614 104.8100       59.83061 -52.67103      163.7307 27.52193 8.297228 24.65496 11.44570 2.866970       14.13676 
1 1 1 45  17 10 o 54.21371 6.970258 393.3156       91.42400 393.3156       91.42400 0.000000       0.000000 54.21371 6.970258 ?        ?        ?              ?        
1 1 1 45  17 11 o 36.42527 9.832049 212.8547       88.66270 212.8547       88.66270 0.000000       0.000000 36.42527 9.832049 ?        ?        ?              ?        
1 1 1 45  19 0  o 33.70956 5.553549 146.9843       48.30175 67.84605       68.12946 226.9622       68.48997 24.73005 8.910197 42.68907 6.631441 -17.95902      11.10710 
1 1 1 45  19 1  o 128.0895 2.864970 2008.401       88.76434 2018.752       124.4134 1997.668       126.6808 128.4434 4.003623 127.7357 4.099173 0.7077255      5.729940 
1 1 1 45  19 2  o 53.61915 3.995344 353.8400       51.56330 382.6372       77.87323 331.3570       68.80827 55.51234 5.798242 51.72596 5.498317 3.786388       7.990688 
1 1 1 45  19 3  o 125.5202 2.887244 1931.878       87.62440 1883.624       121.3155 1984.509       126.6989 123.8990 4.047122 127.1415 4.118921 -3.242493      5.774488 
1 1 1 45  19 4  o 42.14897 5.503354 233.4766       53.95484 238.5361       79.05710 229.0654       73.81924 42.50346 7.981104 41.79448 7.579549 0.7089844      11.00671 
1 1 1 45  19 5  o 55.34615 4.274649 389.6046       56.61931 348.7267       83.22957 424.8182       77.24816 52.42041 6.562584 58.27187 5.479323 -5.851460      8.549298 
1 1 1 45  19 6  o 27.65365 6.219757 102.1312       49.91849 50.55080       75.85017 141.5409       66.30044 23.16762 9.152895 32.13968 8.424132 -8.972067      12.43951 
1 1 1 45  19 7  o 84.78051 4.851193 983.3583       93.13895 715.0506       144.7632 1172.873       121.6644 73.13322 8.181656 96.42780 5.215055 -23.29459      9.702386 
1 1 1 45  19 8  o 64.15485 5.715986 556.1818       84.68203 574.8959       142.5881 545.9846       105.2547 63.89914 9.223290 64.41055 6.754326 -0.5114098     11.43197 
1 1 1 45  21 0  o 64.15797 3.702450 511.3134       57.44814 501.8415       81.84210 520.5134       80.65869 63.54414 5.323521 64.77181 5.147102 -1.227669      7.404900 
1 1 1 45  21 1  o 57.83778 4.127226 416.2939       57.12670 507.3778       84.21992 338.6738       77.74651 63.78559 5.457452 51.88998 6.192915 11.89561       8.254452 
1 1 1 45  21 2  o 27.82150 6.564086 98.95329       52.24662 121.7112       75.89823 78.45644       72.02926 30.07717 9.397712 25.56582 9.166894 4.511354       13.12817 
1 1 1 45  21 3  o 48.10856 4.804585 294.9511       55.72827 330.9398       81.34954 263.1274       76.49741 50.93674 6.601182 45.28038 6.982875 5.656353       9.609170 
1 1 1 46  0  0  o 18.84396 6.906087 62.85480       57.54563 62.85480       57.54563 62.85480       57.54563 18.84396 9.766683 18.84396 9.766683 0.000000       0.000000 
1 1 1 46  0  1  o 44.89837 4.190888 256.6811       61.25869 256.6811       61.25869 256.6811       61.25869 44.89837 5.926810 44.89837 5.926810 0.000000       0.000000 
1 1 1 46  0  2  o 350.3734 4.611550 14897.56       552.4027 14897.56       552.4027 14897.56       552.4027 350.3734 6.521717 350.3734 6.521717 0.000000       0.000000 
1 1 1 46  0  3  o 231.2075 3.352668 6482.921       264.9705 6482.921       264.9705 6482.921       264.9705 231.2075 4.741389 231.2075 4.741389 0.000000       0.000000 
1 1 1 46  0  4  o 220.8053 3.265056 5913.802       246.4272 5913.802       246.4272 5913.802       246.4272 220.8053 4.617486 220.8053 4.617486 0.000000       0.000000 
1 1 1 46  0  5  o 292.9543 3.980675 10420.49       398.6685 10420.49       398.6685 10420.49       398.6685 292.9543 5.629524 292.9543 5.629524 0.000000       0.000000 
1 1 1 46  0  6  o 228.5810 3.329737 6343.238       260.1664 6343.238       260.1664 6343.238       260.1664 228.5810 4.708959 228.5810 4.708959 0.000000       0.000000 
1 1 1 46  0  7  o 151.3204 3.785493 2791.196       195.4352 2791.196       195.4352 2791.196       195.4352 151.3204 5.353496 151.3204 5.353496 0.000000       0.000000 
1 1 1 46  0  8  o 16.70913 7.337439 24.52112       84.13337 24.52112       84.13337 24.52112       84.13337 16.70913 10.37671 16.70913 10.37671 0.000000       0.000000 
1 1 1 46  0  9  o 32.53480 6.263637 155.2522       60.27538 155.2522       60.27538 155.2522       60.27538 32.53480 8.858120 32.53480 8.858120 0.000000       0.000000 
1 1 1 46  0  10 o 39.42827 5.308007 209.9973       64.06610 209.9973       64.06610 209.9973       64.06610 39.42827 7.506655 39.42827 7.506655 0.000000       0.000000 
1 1 1 46  0  11 o 10.09390 4.937344 -45.04988      58.14819 -45.04988      58.14819 -45.04988      58.14819 10.09390 6.982459 10.09390 6.982459 0.000000       0.000000 
1 1 1 46  0  12 o 72.87106 3.281483 657.4379       81.05603 657.4379       81.05603 657.4379       81.05603 72.87106 4.640718 72.87106 4.640718 0.000000       0.000000 
1 1 1 46  0  13 o 46.04988 4.874079 280.6657       71.72495 280.6657       71.72495 280.6657       71.72495 46.04988 6.892989 46.04988 6.892989 0.000000       0.000000 
1 1 1 46  0  14 o 13.86500 6.362073 5.149731       71.92915 5.149731       71.92915 5.149731       71.92915 13.86500 8.997331 13.86500 8.997331 0.000000       0.000000 
1 1 1 46  0  15 o 25.00217 8.140869 126.6948       76.46313 126.6948       76.46313 126.6948       76.46313 25.00217 11.51293 25.00217 11.51293 0.000000       0.000000 
1 1 1 46  2  0  o 381.2585 5.803833 17196.18       446.0788 16811.05       503.7152 18596.07       960.3588 372.2607 5.592881 390.2564 10.17141 -17.99570      11.60767 
1 1 1 46  2  1  o 127.2716 2.948306 1942.717       79.09116 1922.340       91.37865 2003.569       157.9129 126.0061 2.997443 128.5371 5.077929 -2.531021      5.896611 
1 1 1 46  2  2  o 298.9356 4.672730 10871.78       292.9454 10885.27       338.6233 10831.65       584.0366 299.6385 4.671076 298.2327 8.094360 1.405823       9.345460 
1 1 1 46  2  3  o 155.7399 3.152966 2992.400       103.8428 3049.397       121.0956 2834.027       201.8568 158.6801 3.154305 152.7998 5.460324 5.880371       6.305932 
1 1 1 46  2  4  o 276.3660 4.435708 9105.349       250.2948 8951.512       284.4899 9632.362       526.5593 271.6839 4.328133 281.0480 7.743984 -9.364044      8.871416 
1 1 1 46  2  5  o 83.46577 3.149848 790.7900       54.59355 743.6981       61.96291 954.1940       115.4224 78.33677 3.269368 88.59478 5.384925 -10.25801      6.299697 
1 1 1 46  2  6  o 97.85049 2.974304 1129.653       60.58764 1099.334       69.31350 1227.841       124.7359 95.23726 3.008213 100.4637 5.131918 -5.226479      5.948607 
1 1 1 46  2  7  o 44.49090 4.448738 218.0434       41.82008 195.9010       47.56075 293.5158       87.80719 40.10539 4.901664 48.87640 7.425548 -8.771011      8.897476 
1 1 1 46  2  8  o 92.23817 3.667042 1059.044       74.59232 1088.380       89.51368 992.3855       134.9327 94.57259 3.912207 89.90377 6.203502 4.668816       7.334085 
1 1 1 46  2  9  o 160.0611 3.297542 3223.271       111.2161 3323.815       129.9651 2948.245       214.9485 165.3127 3.249512 154.8096 5.738972 10.50305       6.595084 
1 1 1 46  2  10 o 22.98076 6.386649 26.77158       43.47224 10.56279       48.59413 91.73112       97.28143 17.12118 7.115437 28.84035 10.60791 -11.71917      12.77330 
1 1 1 46  2  11 o 107.1089 3.199303 1406.814       70.67786 1402.488       81.02430 1420.583       144.5464 107.2379 3.122948 106.9799 5.584742 0.2580338      6.398605 
1 1 1 46  2  12 o 22.94599 5.880301 54.13939       45.22377 6.986304       66.97665 93.65170       61.31046 19.12536 8.170832 26.76662 8.458680 -7.641266      11.76060 
1 1 1 46  2  13 o 29.76381 6.380267 122.3393       49.93969 124.6307       70.06506 119.9732       71.19936 30.02227 8.962662 29.50536 9.083055 0.5169086      12.76053 
1 1 1 46  2  14 o 53.10266 4.986386 385.5545       58.28149 538.4483       83.48601 240.2108       81.39858 64.95034 5.312880 41.25499 8.439757 23.69535       9.972773 
1 1 1 46  2  15 o 22.43613 6.256856 47.97927       54.16309 111.0339       77.65973 -11.74176      75.57900 26.98616 9.535133 17.88610 8.103965 9.100067       12.51371 
1 1 1 46  4  0  o 266.5755 4.314764 8393.560       233.1871 8207.091       263.8998 9057.704       498.0442 260.2530 4.191226 272.8980 7.543367 -12.64499      8.629529 
1 1 1 46  4  1  o 284.9519 4.500084 9932.243       270.2744 10006.63       313.7084 9718.025       532.3725 287.3212 4.512905 282.5826 7.786959 4.738586       9.000169 
1 1 1 46  4  2  o 90.61842 3.065566 958.9434       56.96568 928.5432       64.64323 1064.604       120.5154 87.56816 3.051227 93.66868 5.317969 -6.100517      6.131132 
1 1 1 46  4  3  o 84.92078 3.445939 940.3670       57.95756 996.8333       66.44547 760.7377       118.5112 90.72587 3.027136 79.11569 6.191481 11.61018       6.891879 
1 1 1 46  4  4  o 38.04578 5.439243 165.0447       42.02140 152.3905       47.48826 210.7079       90.20964 35.41322 5.542664 40.67835 9.360574 -5.265137      10.87849 
1 1 1 46  4  5  o 48.19637 5.333310 328.3851       45.23044 353.5364       50.69473 230.2201       100.1523 53.98491 3.881397 42.40783 9.935369 11.57708       10.66662 
1 1 1 46  4  6  o 162.0112 3.253282 3165.694       108.3241 3143.438       123.7684 3238.549       223.9338 161.0115 3.177244 163.0108 5.678071 -1.999313      6.506564 
1 1 1 46  4  7  o 108.5324 3.058810 1433.597       67.92738 1433.938       77.60417 1432.481       140.4706 108.7281 2.950130 108.3367 5.359293 0.3913193      6.117620 
1 1 1 46  4  8  o 71.50709 3.810330 624.7084       55.56609 623.5145       63.38190 628.6734       115.5073 71.59238 3.659284 71.42179 6.684616 0.1705933      7.620659 
1 1 1 46  4  9  o 83.81110 3.697489 875.0651       59.85477 883.8085       67.10741 841.0470       132.3684 85.22890 3.254478 82.39330 6.640336 2.835602       7.394977 
1 1 1 46  4  10 o 66.66180 4.262392 555.1519       52.48194 557.5767       58.00155 544.1999       123.2669 67.59914 3.546469 65.72446 7.752064 1.874680       8.524783 
1 1 1 46  4  11 o 30.84857 6.556080 127.4276       46.80511 133.9827       51.85559 98.60797       108.7302 32.04948 6.892366 29.64766 11.15455 2.401821       13.11216 
1 1 1 46  4  12 o 110.0616 3.433936 1536.310       75.93475 1563.252       86.60741 1446.758       157.8979 113.0278 3.167142 107.0955 6.094004 5.932274       6.867873 
1 1 1 46  4  13 o 42.11546 7.017228 208.3816       55.38227 184.1503       60.31509 338.6080       139.8259 37.19330 6.958636 47.03762 12.18784 -9.844318      14.03446 
1 1 1 46  4  14 o 72.36131 5.285003 740.1630       67.17901 761.2344       74.20126 644.3784       158.2021 78.08823 3.927566 66.63438 9.813219 11.45384       10.57001 
1 1 1 46  4  15 o 25.53733 6.488341 86.91135       53.80921 153.0472       81.54142 35.89548       71.61639 30.76024 9.758588 20.31442 8.553610 10.44583       12.97668 
1 1 1 46  6  0  o 297.1508 4.651042 10825.76       292.2108 10931.71       339.9356 10525.88       571.8893 300.2808 4.679149 294.0208 8.039549 6.260040       9.302085 
1 1 1 46  6  1  o 172.3852 3.348782 3549.213       118.3082 3502.457       134.7867 3706.127       246.9231 170.0583 3.276022 174.7120 5.841665 -4.653656      6.697565 
1 1 1 46  6  2  o 142.9799 3.178658 2455.833       92.76091 2436.122       105.6224 2522.308       193.9645 141.8293 3.078137 144.1306 5.562421 -2.301300      6.357316 
1 1 1 46  6  3  o 135.4240 3.150358 2276.982       88.49189 2328.979       102.3100 2122.546       176.3219 138.6647 3.049648 132.1833 5.513500 6.481430       6.300717 
1 1 1 46  6  4  o 89.79874 3.371698 964.9323       58.72652 955.4441       65.56187 1003.450       132.0962 88.80133 3.051614 90.79614 6.013406 -1.994812      6.743396 
1 1 1 46  6  5  o 203.3297 3.598952 5134.390       154.8429 5253.378       180.8676 4807.853       299.6240 208.1105 3.592234 198.5490 6.237442 9.561478       7.197905 
1 1 1 46  6  6  o 148.4226 3.212274 2719.988       98.27679 2758.113       113.0478 2602.023       198.8535 150.8030 3.098487 146.0421 5.627984 4.760956       6.424549 
1 1 1 46  6  7  o 88.34001 3.348539 970.4064       59.46813 986.0804       67.73114 917.6681       124.2399 90.12942 3.106129 86.55061 5.933197 3.578804       6.697079 
1 1 1 46  6  8  o 77.99596 4.028674 769.0744       58.45944 782.2632       64.92260 712.5521       134.4009 80.20289 3.345828 75.78904 7.329823 4.413849       8.057348 
1 1 1 46  6  9  o 92.10326 3.459585 1028.023       62.80127 1018.706       70.56018 1063.534       137.7567 91.48804 3.187815 92.71846 6.141071 -1.230415      6.919170 
1 1 1 46  6  10 o 78.23459 3.967697 787.8524       57.75250 806.4537       64.28699 710.0535       131.4734 81.32271 3.267450 75.14647 7.231477 6.176239       7.935394 
1 1 1 46  6  11 o 63.46250 4.726814 499.9489       55.13261 495.4553       60.70266 521.1184       131.7547 63.51923 3.950028 63.40577 8.588851 0.1134529      9.453629 
1 1 1 46  6  12 o 45.02869 6.532736 307.5490       53.32451 325.5756       58.72517 222.8436       127.2982 51.16195 4.744330 38.89543 12.17366 12.26653       13.06547 
1 1 1 46  6  13 o 37.11388 7.230853 130.4887       53.39559 90.25078       57.88241 360.2617       138.3178 25.81682 8.225238 48.41095 11.89481 -22.59412      14.46171 
1 1 1 46  6  14 o 22.38722 6.980812 29.10251       56.73900 30.24063       61.40962 22.46282       148.3257 19.49047 8.040930 25.28397 11.41360 -5.793499      13.96162 
1 1 1 46  6  15 o 25.79986 7.773656 81.25676       65.65109 68.90205       70.92768 155.1458       173.4561 22.57048 8.871885 29.02923 12.76748 -6.458752      15.54731 
1 1 1 46  8  0  f 317.5917 4.925741 12318.18       328.6221 12368.18       380.4796 12171.33       652.0305 319.3079 4.925150 315.8756 8.531974 3.432281       9.851481 
1 1 1 46  8  1  o 165.2367 3.331239 3381.078       115.3816 3453.755       134.0346 3173.111       226.7337 168.8556 3.280946 161.6178 5.798621 7.237839       6.662478 
1 1 1 46  8  2  o 122.6658 3.229188 1896.091       81.31728 1964.288       93.91721 1691.850       162.5302 127.3437 3.048355 117.9880 5.693694 9.355667       6.458375 
1 1 1 46  8  3  o 108.7689 3.264259 1420.303       70.35503 1408.508       79.16836 1464.604       153.4342 107.8199 3.034941 109.7178 5.780198 -1.897881      6.528519 
1 1 1 46  8  4  f 164.3051 3.345011 3187.699       110.2765 3117.044       124.2877 3449.137       239.0793 160.3522 3.203693 168.2581 5.873051 -7.905869      6.690021 
1 1 1 46  8  5  o 96.03587 3.325519 1193.134       64.55146 1260.328       74.52120 991.1957       129.1883 101.9535 3.021172 90.11826 5.925270 11.83522       6.651038 
1 1 1 46  8  6  o 136.8477 3.216545 2303.452       89.50108 2322.992       102.1976 2239.143       185.4029 138.3620 3.052965 135.3334 5.662514 3.028534       6.433091 
1 1 1 46  8  7  o 96.72556 3.351342 1167.235       63.92091 1185.906       72.27433 1100.178       136.9663 98.81655 3.023097 94.63455 5.982211 4.181999       6.702683 
1 1 1 46  8  8  o 115.4837 3.299316 1587.502       75.80839 1554.331       85.22145 1713.266       165.9387 113.0520 3.115790 117.9153 5.816682 -4.863205      6.598631 
1 1 1 46  8  9  o 69.63133 4.165933 605.7168       53.96734 608.9284       59.77333 591.5527       125.5285 70.65572 3.496695 68.60694 7.562613 2.048782       8.331866 
1 1 1 46  8  10 o 29.81131 6.567146 120.5770       47.04551 131.5996       51.58809 66.12730       114.6578 31.77192 6.908182 27.85070 11.17079 3.921223       13.13429 
1 1 1 46  8  11 o 125.0423 3.390842 1913.638       85.18214 1893.344       96.42959 1985.723       181.7439 124.4064 3.203799 125.6782 5.977199 -1.271782      6.781683 
1 1 1 46  8  12 o 23.46508 6.920064 41.70131       50.93541 43.23089       55.18840 32.90899       132.3164 20.63951 7.903749 26.29065 11.36133 -5.651138      13.84013 
1 1 1 46  8  13 o 47.72474 6.714839 258.1240       58.96418 221.8023       64.10551 457.7038       150.2694 41.23952 6.425093 54.20995 11.79298 -12.97042      13.42968 
1 1 1 46  8  14 o 26.37175 7.793547 75.31207       61.93924 65.05968       66.50284 142.4152       170.1371 22.61047 8.671983 30.13302 12.95200 -7.522551      15.58709 
1 1 1 46  10 0  o 151.2417 3.291886 2760.037       100.7694 2747.221       114.4363 2804.283       212.6332 150.5924 3.140932 151.8910 5.786243 -1.298676      6.583773 
1 1 1 46  10 1  o 134.0088 3.231320 2179.182       88.55119 2178.677       101.1132 2180.845       183.4341 134.0966 3.116647 133.9210 5.661469 0.1756592      6.462640 
1 1 1 46  10 2  o 166.3993 3.393750 3418.782       116.3492 3470.493       133.8361 3258.775       235.4235 169.2094 3.269237 163.5892 5.948298 5.620178       6.787500 
1 1 1 46  10 3  o 124.5174 3.301498 1913.572       81.55256 1936.042       92.28012 1833.432       174.2728 126.3837 3.017969 122.6512 5.872940 3.732529       6.602996 
1 1 1 46  10 4  o 81.26556 3.877892 865.3314       58.94822 904.9696       66.07598 710.7674       130.4790 86.37940 3.161776 76.15171 7.082044 10.22769       7.755784 
1 1 1 46  10 5  f 77.68947 4.011338 832.6458       58.09751 901.8608       65.84682 589.4111       123.4376 86.20105 3.157329 69.17788 7.375269 17.02317       8.022676 
1 1 1 46  10 6  o 93.35538 3.419119 1026.071       62.13699 1000.692       69.23775 1131.112       140.8590 90.76080 3.153133 95.94994 6.067887 -5.189140      6.838238 
1 1 1 46  10 7  o 100.1731 3.468601 1336.293       69.31630 1437.288       80.13481 1036.169       138.1412 108.7350 3.046139 91.61127 6.232640 17.12370       6.937201 
1 1 1 46  10 8  o 116.8117 3.511316 1677.164       78.96220 1677.358       88.21324 1676.383       177.1216 117.3879 3.106047 116.2356 6.298398 1.152344       7.022632 
1 1 1 46  10 9  o 25.75300 6.470542 82.26275       47.64857 102.1805       51.56522 -34.11065      124.6418 27.95383 7.478263 23.55216 10.56159 4.401672       12.94108 
1 1 1 46  10 10 o 67.00653 4.821985 582.9745       57.46761 590.7184       63.12797 545.5086       138.8536 69.38616 3.760509 64.62691 8.880581 4.759254       9.643970 
1 1 1 46  10 11 o 44.94400 6.809613 340.3836       55.62178 370.5033       60.47874 175.1339       141.6602 54.61388 4.577174 35.27412 12.82703 19.33976       13.61923 
1 1 1 46  10 12 o 17.57558 6.106654 -73.12236      49.69595 -73.11296      52.83419 -73.19453      146.3748 12.33214 5.944156 22.81902 10.66920 -10.48688      12.21331 
1 1 1 46  10 13 o 49.66524 7.237407 338.7509       61.88543 323.7095       66.84855 428.9114       163.6651 50.03145 5.522638 49.29902 13.37986 0.7324295      14.47481 
1 1 1 46  10 14 o 28.57013 8.181461 101.9564       61.32856 83.60449       64.99088 251.1600       185.3113 23.87041 8.686957 33.26985 13.86658 -9.399437      16.36292 
1 1 1 46  12 0  o 112.5829 3.640290 1538.765       87.46587 1535.916       101.9727 1546.698       170.1383 112.5241 3.745724 112.6417 6.243107 -0.1175079     7.280580 
1 1 1 46  12 1  o 187.0309 3.556401 4352.339       139.1207 4454.384       161.5510 4059.489       273.6766 191.6381 3.484380 182.4237 6.200891 9.214401       7.112802 
1 1 1 46  12 2  o 59.41164 5.406485 526.9160       53.24752 579.8409       59.58520 317.0732       118.6466 69.12467 3.562895 49.69861 10.20912 19.42606       10.81297 
1 1 1 46  12 3  o 39.10925 6.288103 167.9975       46.32179 155.1077       50.53271 235.8120       115.9070 35.62581 5.862807 42.59270 11.12603 -6.966892      12.57621 
1 1 1 46  12 4  o 70.86667 4.004443 536.2379       52.22091 499.1160       56.71514 743.0101       133.8536 64.07757 3.658396 77.65576 7.124493 -13.57819      8.008886 
1 1 1 46  12 5  o 70.12808 4.818524 686.4338       64.23038 752.0787       73.57578 476.1452       131.6868 78.58548 3.869815 61.67069 8.825940 16.91479       9.637048 
1 1 1 46  12 6  o 57.11541 4.737041 398.8253       50.00653 395.8439       55.10735 412.7305       119.0108 56.95681 3.999094 57.27401 8.588683 -0.3172035     9.474082 
1 1 1 46  12 7  o 178.9961 3.605685 4031.102       133.0402 4118.938       153.4787 3765.616       266.8272 183.8149 3.451159 174.1773 6.331932 9.637573       7.211370 
1 1 1 46  12 8  o 98.14098 4.174835 1282.062       73.41950 1330.255       81.27117 1068.174       171.2122 104.4398 3.216387 91.84220 7.705312 12.59756       8.349669 
1 1 1 46  12 9  o 59.49850 5.157204 394.3082       54.43412 370.1022       58.75086 541.1065       144.6814 54.78801 4.432272 64.20900 9.313537 -9.420990      10.31441 
1 1 1 46  12 10 o 60.92623 5.158894 421.7444       56.17776 396.3667       60.78486 570.3748       147.1033 56.56301 4.441817 65.28946 9.312733 -8.726452      10.31779 
1 1 1 46  12 11 o 19.75797 6.290673 1.735711       52.31089 26.04432       55.78316 -175.4908      150.6217 18.99465 7.729644 20.52129 9.926877 -1.526634      12.58135 
1 1 1 46  12 12 o 32.34975 8.054902 122.0733       57.64799 103.3129       61.71310 250.5651       161.5080 27.01211 8.479701 37.68739 13.69746 -10.67527      16.10980 
1 1 1 46  12 13 o 32.07684 8.181723 65.36887       60.39510 16.40096       64.30193 432.0048       175.9486 18.39732 7.935270 45.75636 14.31062 -27.35903      16.36345 
1 1 1 46  14 0  o 176.2071 2.926486 3757.349       124.4264 3551.895       168.5978 4003.101       184.3919 170.9532 4.076358 181.4609 4.200069 -10.50768      5.852972 
1 1 1 46  14 1  o 119.7996 2.711317 1744.257       78.58215 1744.790       110.7006 1743.715       111.5683 119.8203 3.818717 119.7788 3.849981 0.4146576E-01  5.422633 
1 1 1 46  14 2  o 48.70306 3.843611 289.9768       45.28260 286.0810       63.36313 294.0434       64.73753 48.37086 5.414402 49.03527 5.456890 -0.6644096     7.687223 
1 1 1 46  14 3  o 99.91411 2.683001 1215.160       64.79523 1147.072       91.05331 1285.015       92.22655 97.06480 3.877321 102.7634 3.709497 -5.698631      5.366003 
1 1 1 46  14 4  o 101.3605 3.584440 1246.251       68.03582 1238.953       75.23597 1279.001       159.3720 100.9621 3.080102 101.7589 6.473470 -0.7968979     7.168880 
1 1 1 46  14 5  o 34.10416 7.141563 107.5760       47.75986 86.59350       51.39887 240.2142       129.2288 26.05213 7.651217 42.15618 12.06095 -16.10405      14.28313 
1 1 1 46  14 6  o 28.57065 7.323204 30.19949       49.36935 2.875496       52.85234 217.2516       138.2845 17.09875 7.280479 40.04255 12.70873 -22.94379      14.64641 
1 1 1 46  14 7  o 42.90366 6.865774 246.4079       53.93099 248.4649       58.63056 235.0982       137.4797 44.78516 5.411125 41.02214 12.62043 3.763020       13.73155 
1 1 1 46  14 8  o 111.3794 3.946263 1524.069       106.3392 1524.069       106.3392 0.000000       0.000000 111.3794 3.946263 ?        ?        ?              ?        
1 1 1 46  14 9  o 71.06278 4.635046 613.9464       58.92187 599.9264       64.23856 688.2808       147.9164 69.80476 3.803719 72.32081 8.453776 -2.516052      9.270093 
1 1 1 46  14 10 o 64.00053 6.262096 567.8806       62.31848 572.6112       67.24261 539.0839       165.9049 67.93401 4.091241 60.06707 11.83711 7.866940       12.52419 
1 1 1 46  14 11 o 36.32604 8.163096 140.7660       56.60006 114.6640       60.03008 349.7918       169.8762 28.44983 8.244042 44.20225 14.09185 -15.75242      16.32619 
1 1 1 46  14 12 f 38.89108 7.136605 283.4513       62.48200 303.8297       66.53305 131.2314       181.8396 48.04678 5.723621 29.73537 13.07535 18.31141       14.27321 
1 1 1 46  16 0  o 110.8246 2.787226 1496.684       74.62734 1516.047       103.2312 1475.487       108.0088 111.5978 3.823431 110.0515 4.056587 1.546280       5.574452 
1 1 1 46  16 1  o 122.6614 2.759023 1825.402       81.67694 1724.124       110.8617 1945.641       120.7936 118.9672 3.851697 126.3557 3.951363 -7.388519      5.518047 
1 1 1 46  16 2  o 44.37743 4.486118 242.6903       48.08216 263.5170       69.76176 223.8438       66.36240 46.20155 6.241064 42.55332 6.445940 3.648224       8.972237 
1 1 1 46  16 3  o 102.8102 2.806851 1290.269       69.80872 1266.565       97.93269 1314.755       99.53571 101.8493 3.974361 103.7711 3.964607 -1.921806      5.613702 
1 1 1 46  16 4  o 65.01640 3.424506 519.6111       53.83414 500.5961       76.30782 538.4528       75.95931 63.81074 4.942799 66.22207 4.741066 -2.411327      6.849012 
1 1 1 46  16 5  o 115.9790 2.853721 1642.469       79.94964 1549.741       109.5024 1748.333       117.0016 112.4884 4.023589 119.4697 4.047917 -6.981346      5.707442 
1 1 1 46  16 6  o 58.98283 5.263312 319.3893       52.94942 278.3260       56.15408 648.6615       159.0129 47.45625 4.890864 70.50940 9.321442 -23.05315      10.52662 
1 1 1 46  16 7  o 32.75134 7.460911 46.80865       53.80863 5.160953       57.54861 336.3474       151.7374 17.76397 7.581187 47.73870 12.85248 -29.97474      14.92182 
1 1 1 46  16 8  o 25.65959 8.001824 26.26347       55.94705 21.83907       58.27913 78.25105       199.7724 19.07001 7.846344 32.24918 13.94818 -13.17917      16.00365 
1 1 1 46  16 9  o 34.81433 6.908498 197.1348       57.14787 218.6104       61.11887 47.79298       161.1735 41.29173 6.118008 28.33693 12.38868 12.95480       13.81700 
1 1 1 46  16 10 o 30.06209 7.851614 116.6078       57.86842 112.1089       61.66660 149.7918       167.4775 28.06035 8.415484 32.06383 13.25786 -4.003479      15.70323 
1 1 1 46  16 11 o 29.34161 10.08809 136.2039       86.59686 136.2039       86.59686 0.000000       0.000000 29.34161 10.08809 ?        ?        ?              ?        
1 1 1 46  18 0  o 124.2586 2.810743 1885.706       84.47808 1943.820       120.1439 1828.877       118.8074 126.1636 3.936095 122.3536 4.013509 3.809944       5.621485 
1 1 1 46  18 1  o 134.7660 2.835931 2217.171       92.31588 2168.397       126.4531 2272.829       135.0825 133.2116 3.923603 136.3203 4.095774 -3.108734      5.671863 
1 1 1 46  18 2  o 104.7649 2.892478 1342.382       73.27785 1298.301       101.7490 1389.881       105.6204 102.9819 4.083825 106.5479 4.097328 -3.566025      5.784957 
1 1 1 46  18 3  o 57.96366 3.839561 414.7309       53.74514 437.4071       78.99641 395.1894       73.33334 59.41800 5.495244 56.50932 5.363880 2.908680       7.679122 
1 1 1 46  18 4  o 41.73095 5.436211 234.9561       52.16025 154.8727       75.93285 306.5076       71.77417 33.92662 9.074246 49.53529 5.988956 -15.60867      10.87242 
1 1 1 46  18 5  o 36.95258 5.870076 185.9831       51.25563 154.4351       76.05136 212.2389       69.37996 33.69643 9.110403 40.20872 7.404844 -6.512295      11.74015 
1 1 1 46  18 6  o 74.12207 3.422013 684.0215       61.32125 657.2858       86.97369 710.4491       86.47119 72.63364 4.949345 75.61049 4.727016 -2.976845      6.844027 
1 1 1 46  18 7  o 31.70072 6.364015 136.3735       52.68657 189.8012       77.82257 91.16402       71.58746 36.93501 8.828853 26.46643 9.168101 10.46858       12.72803 
1 1 1 46  18 8  o 57.62066 6.490389 431.5208       90.47972 431.5208       90.47972 0.000000       0.000000 57.62066 6.490389 ?        ?        ?              ?        
1 1 1 46  20 0  o 67.04459 3.584978 557.9482       57.91420 517.1762       83.48013 595.7784       80.41211 64.59398 5.341814 69.49519 4.782603 -4.901215      7.169956 
1 1 1 46  20 1  o 70.65965 3.519083 618.5490       60.06723 655.4846       84.79624 581.3481       85.10036 72.83090 4.812366 68.48841 5.135847 4.342491       7.038167 
1 1 1 46  20 2  o 85.69217 3.229940 907.0952       66.94774 904.6749       93.61876 909.6281       95.77484 85.59343 4.520851 85.79092 4.614322 -0.1974869     6.459880 
1 1 1 46  20 3  o 96.73102 3.111731 1156.925       72.80481 1132.053       103.2360 1181.535       102.6892 95.66823 4.460271 97.79381 4.340215 -2.125580      6.223463 
1 1 1 46  20 4  o 52.16828 4.495911 344.5946       56.22424 357.5517       86.09028 334.9579       74.24451 52.86566 6.730978 51.47090 5.962114 1.394760       8.991822 
1 1 1 46  20 5  o 74.51295 4.832529 717.8634       82.26247 714.3367       140.8113 719.6907       101.3575 73.56743 7.911334 75.45847 5.551950 -1.891037      9.665058 
1 1 1 47  1  0  o 132.5674 3.193016 2152.458       97.09959 2203.008       120.3743 2058.299       164.2879 134.8618 3.689286 130.2729 5.212541 4.588989       6.386032 
1 1 1 47  1  1  o 111.8010 3.190762 1534.622       82.09729 1581.309       102.3376 1450.327       137.5100 114.2546 3.702195 109.3474 5.197845 4.907150       6.381524 
1 1 1 47  1  2  o 99.78952 3.218486 1305.235       66.18587 1414.246       77.68305 1016.538       126.4190 108.0728 2.971034 91.50626 5.710304 16.56653       6.436973 
1 1 1 47  1  3  o 158.1509 3.181166 3055.514       105.3450 3078.093       121.8513 2988.697       209.6132 159.4170 3.159318 156.8847 5.522499 2.532288       6.362333 
1 1 1 47  1  4  o 161.4841 3.198174 3146.669       108.0782 3129.379       124.5765 3199.286       217.3194 160.7156 3.203876 162.2527 5.536105 -1.537094      6.396349 
1 1 1 47  1  5  o 65.28703 3.836945 562.8977       50.12625 604.8221       57.96360 438.5485       99.82598 70.63242 3.391946 59.94165 6.883551 10.69076       7.673889 
1 1 1 47  1  6  o 171.2372 3.297162 3657.432       120.3696 3767.569       141.4450 3368.233       229.2029 176.2495 3.317091 166.2250 5.699298 10.02444       6.594323 
1 1 1 47  1  7  o 15.50041 4.702898 -28.16069      38.25385 30.21993       43.65115 -221.4158      79.41946 18.56128 7.047963 12.43953 6.228579 6.121744       9.405795 
1 1 1 47  1  8  f 18.77628 7.574644 20.52911       53.04988 20.52911       53.04988 0.000000       0.000000 18.77628 7.574644 ?        ?        ?              ?        
1 1 1 47  1  9  o 152.8554 3.219546 2817.281       100.6479 2781.184       114.6339 2938.727       210.2656 151.2121 3.133459 154.4987 5.625241 -3.286575      6.439092 
1 1 1 47  1  10 o 21.10886 5.704165 36.56158       41.61306 11.78761       57.31920 64.17038       60.50985 18.45496 7.703647 23.76276 8.414498 -5.307798      11.40833 
1 1 1 47  1  11 o 60.29309 3.531318 449.9386       51.40988 485.5288       73.14110 415.1856       72.27573 62.69614 4.821901 57.89003 5.160436 4.806114       7.062636 
1 1 1 47  1  12 o 46.27570 4.475203 271.7425       50.00409 283.8099       69.74915 258.9817       71.72515 47.41494 6.080251 45.13647 6.568128 2.278469       8.950405 
1 1 1 47  1  13 o 56.88437 4.172508 412.5792       57.17462 462.2166       81.93491 365.4703       79.82077 60.35946 5.610756 53.40928 6.177274 6.950176       8.345016 
1 1 1 47  1  14 o 16.60098 5.429079 -38.26667      51.36735 -34.70330      73.18474 -41.72672      72.11586 16.83457 7.757383 16.36738 7.597540 0.4671879      10.85816 
1 1 1 47  1  15 o 26.43582 6.553252 102.9064       56.05256 43.72330       79.85905 160.3759       78.69434 21.33648 9.010774 31.53516 9.517688 -10.19868      13.10650 
1 1 1 47  3  0  o 208.6485 3.642684 5225.626       157.1779 5176.102       179.9641 5384.890       322.7267 206.7240 3.598261 210.5731 6.334754 -3.849136      7.285368 
1 1 1 47  3  1  o 62.63153 3.659565 476.7626       47.95675 477.6820       55.37374 474.0036       95.92360 62.79632 3.644747 62.46674 6.347085 0.3295860      7.319130 
1 1 1 47  3  2  o 202.1489 3.582812 4768.754       146.1160 4623.760       164.7228 5303.986       316.4814 195.3711 3.484906 208.9268 6.261117 -13.55571      7.165623 
1 1 1 47  3  3  o 63.09470 4.030042 534.9818       49.84760 580.4774       57.39727 395.3600       100.5502 69.21860 3.427411 56.97081 7.295053 12.24779       8.060083 
1 1 1 47  3  4  o 230.5576 3.890757 6441.337       186.3541 6422.212       214.1952 6500.893       377.9875 230.1401 3.846938 230.9752 6.764098 -0.8351135     7.781513 
1 1 1 47  3  5  o 66.05183 3.664899 550.7513       49.60300 570.0814       57.23775 492.4450       99.40878 68.56675 3.450378 63.53691 6.466903 5.029842       7.329799 
1 1 1 47  3  6  o 85.60555 3.216009 892.4366       56.47282 893.6094       64.60411 888.6378       116.2758 85.84345 3.110646 85.36765 5.629808 0.4758072      6.432019 
1 1 1 47  3  7  o 61.51598 3.719411 435.4225       46.87037 413.7907       52.98401 513.2659       100.5101 58.34653 3.753422 64.68543 6.422451 -6.338902      7.438821 
1 1 1 47  3  8  o 31.84011 6.693671 140.6835       56.25252 171.6136       64.64909 44.27127       114.1398 36.55800 7.558969 27.12222 11.04911 9.435780       13.38734 
1 1 1 47  3  9  o 121.0906 3.219851 1827.764       79.57808 1857.397       91.23214 1733.492       162.7218 123.5782 3.051432 118.6030 5.670847 4.975243       6.439701 
1 1 1 47  3  10 o 47.39571 5.022704 243.7218       47.83022 217.3710       53.16443 355.6217       109.5568 41.97177 5.235541 52.81964 8.573175 -10.84787      10.04541 
1 1 1 47  3  11 o 97.66365 3.404267 1123.941       65.86711 1084.975       73.73702 1277.811       146.5278 94.24269 3.233967 101.0846 5.991460 -6.841919      6.808534 
1 1 1 47  3  12 o 33.92513 6.769111 145.0931       48.18168 137.2223       53.14311 181.4396       114.2004 32.17017 7.024821 35.68008 11.57304 -3.509907      13.53822 
1 1 1 47  3  13 o 35.74035 6.738849 209.7983       67.10902 265.2486       77.21323 38.54848       135.6922 45.04302 7.085359 26.43767 11.46499 18.60535       13.47770 
1 1 1 47  3  14 o 22.00329 6.315759 46.88143       52.74325 61.27181       75.34828 33.05595       73.85458 23.13584 9.128204 20.87074 8.731044 2.265095       12.63152 
1 1 1 47  3  15 o 21.37943 6.282964 37.96173       55.79363 93.31710       81.99795 -9.761894      76.13596 24.96880 9.616180 17.79005 8.088983 7.178753       12.56593 
1 1 1 47  5  0  o 205.7258 3.604319 5323.826       160.1492 5582.188       190.5884 4703.153       295.4018 214.6659 3.669704 196.7856 6.204653 17.88028       7.208637 
1 1 1 47  5  1  f 207.2133 3.652023 5168.050       156.4030 5130.135       179.1243 5289.708       320.8631 205.7852 3.597809 208.6415 6.356481 -2.856308      7.304045 
1 1 1 47  5  2  o 36.47718 5.819931 188.2557       43.23969 207.0841       48.53953 115.8834       95.16443 41.31422 4.856168 31.64014 10.57847 9.674078       11.63986 
1 1 1 47  5  3  o 222.8098 3.797639 6117.347       178.8919 6212.417       208.4161 5851.279       348.6620 226.3784 3.805344 219.2412 6.573249 7.137207       7.595278 
1 1 1 47  5  4  o 118.0759 3.232394 1754.608       76.56924 1806.977       87.43949 1582.391       158.5655 122.1220 2.959451 114.0298 5.747620 8.092224       6.464788 
1 1 1 47  5  5  o 145.9404 3.186774 2696.058       97.67506 2817.765       114.3502 2367.638       187.8419 152.4590 3.100140 139.4218 5.568773 13.03722       6.373548 
1 1 1 47  5  6  o 152.7407 3.179931 2888.514       101.3288 2939.537       117.3364 2738.846       200.9615 155.6689 3.115507 149.8126 5.544497 5.856293       6.359861 
1 1 1 47  5  7  o 30.77299 6.149699 117.7439       41.58181 118.1843       46.54351 116.0024       92.55430 30.44938 6.514915 31.09660 10.43221 -0.6472263     12.29940 
1 1 1 47  5  8  o 49.25446 6.053608 348.8750       51.89890 371.6020       57.57315 250.3272       119.8871 55.17041 4.313318 43.33852 11.31282 11.83188       12.10722 
1 1 1 47  5  9  o 75.99530 3.764258 684.0677       56.14028 665.6420       62.72706 758.2391       125.8524 73.89561 3.508601 78.09499 6.660951 -4.199371      7.528516 
1 1 1 47  5  10 o 68.72526 3.950790 527.1459       52.45321 492.4169       57.85297 687.5670       124.3399 63.44835 3.768799 74.00217 6.944864 -10.55381      7.901581 
1 1 1 47  5  11 o 31.82432 6.915662 115.8976       48.17575 102.1656       53.23709 177.9893       113.2045 27.79046 7.667971 35.85817 11.51120 -8.067705      13.83132 
1 1 1 47  5  12 o 53.14351 4.999943 312.7330       52.32592 279.9461       57.80474 461.5110       123.1353 47.32442 5.048657 58.96261 8.631846 -11.63819      9.999886 
1 1 1 47  5  13 o 27.70373 7.503603 73.04407       56.23703 53.16678       61.88445 167.2814       134.7456 21.94644 8.377780 33.46102 12.45107 -11.51458      15.00721 
1 1 1 47  5  14 o 25.66206 7.544621 63.96384       58.18573 53.23621       62.84454 128.3760       153.9925 21.50839 8.380672 29.81573 12.54789 -8.307343      15.08924 
1 1 1 47  7  0  o 263.3453 4.218617 8694.051       241.7897 9078.491       288.7994 7792.980       442.1412 273.6458 4.362195 253.0448 7.222061 20.60100       8.437234 
1 1 1 47  7  1  o 163.0392 3.282294 3303.479       113.2439 3392.774       132.3972 3060.083       218.5851 167.3575 3.269877 158.7209 5.692251 8.636551       6.564589 
1 1 1 47  7  2  o 145.3566 3.277498 2715.852       99.89175 2893.855       117.5557 2253.421       189.4753 154.5570 3.143783 136.1562 5.751921 18.40085       6.554995 
1 1 1 47  7  3  o 30.30530 6.370925 119.3905       43.90182 129.8475       48.08635 67.03153       107.6007 32.08656 6.418527 28.52403 11.00715 3.562525       12.74185 
1 1 1 47  7  4  o 88.02843 3.515519 1023.213       60.97253 1093.264       69.96456 802.0226       124.3232 94.97371 3.044896 81.08315 6.337517 13.89056       7.031039 
1 1 1 47  7  5  o 74.91750 3.540118 638.0937       52.58567 607.1470       58.67399 764.4260       118.5484 70.73679 3.428451 79.09821 6.194792 -8.361420      7.080235 
1 1 1 47  7  6  o 124.0516 3.141225 1934.731       80.29957 1994.214       92.78754 1757.287       160.2597 128.1996 2.991580 119.9037 5.524457 8.295921       6.282450 
1 1 1 47  7  7  o 70.56357 4.161267 688.0139       53.97015 740.3653       60.81305 493.8727       117.1092 78.05256 3.220382 63.07458 7.674224 14.97798       8.322535 
1 1 1 47  7  8  o 108.4496 3.528694 1450.092       73.49148 1455.047       82.09574 1430.101       164.8974 109.3780 3.102332 107.5213 6.338947 1.856750       7.057387 
1 1 1 47  7  9  o 34.33540 6.410807 160.3401       46.79721 169.0412       51.43240 118.4890       112.7981 36.95936 5.751884 31.71145 11.45904 5.247906       12.82161 
1 1 1 47  7  10 o 35.54183 6.516589 173.2655       47.94558 180.3154       52.52136 138.0131       117.4466 38.06896 5.702466 33.01471 11.71945 5.054249       13.03318 
1 1 1 47  7  11 o 37.05402 6.607867 190.3461       51.39323 196.1128       57.07157 165.6157       118.1873 39.47857 5.975251 34.62947 11.78779 4.849091       13.21573 
1 1 1 47  7  12 o 26.77169 6.908588 89.42258       50.62617 96.06770       55.45594 56.18085       124.0334 26.67241 7.976225 26.87098 11.28247 -0.1985683     13.81718 
1 1 1 47  7  13 o 20.39711 6.283110 18.35415       53.55382 46.45029       57.92682 -146.9364      140.5013 20.84554 8.067222 19.94867 9.634824 0.8968716      12.56622 
1 1 1 47  7  14 o 57.93964 6.762842 440.7320       65.35092 411.9229       70.49233 616.8947       174.3145 56.33028 5.172466 59.54898 12.49759 -3.218700      13.52568 
1 1 1 47  9  0  o 151.1944 3.311248 2780.035       101.3367 2785.146       115.2696 2762.641       212.6302 151.6298 3.142157 150.7591 5.829605 0.8706665      6.622496 
1 1 1 47  9  1  o 126.3704 3.281698 1958.538       83.21838 1974.760       94.48732 1902.439       175.7117 127.6720 3.058972 125.0689 5.806965 2.603142       6.563395 
1 1 1 47  9  2  o 171.0500 3.454285 3481.707       117.9360 3426.817       132.8449 3685.901       256.2250 168.1429 3.265609 173.9571 6.088031 -5.814240      6.908569 
1 1 1 47  9  3  o 105.9069 3.438746 1419.050       70.85063 1459.773       79.98441 1270.672       152.6767 109.7442 3.012461 102.0697 6.182635 7.674538       6.877492 
1 1 1 47  9  4  o 192.6940 3.532043 4637.833       143.9675 4770.626       168.4013 4277.216       277.5113 198.2680 3.510675 187.1201 6.129964 11.14792       7.064085 
1 1 1 47  9  5  o 58.70132 4.296761 373.9189       47.39265 348.9462       51.79282 502.4390       117.4958 53.56648 3.996448 63.83616 7.607696 -10.26968      8.593522 
1 1 1 47  9  6  o 61.13671 4.116323 440.6040       49.45660 428.2488       55.26318 490.3034       110.8372 59.31285 3.851100 62.96058 7.276363 -3.647728      8.232645 
1 1 1 47  9  7  o 100.1180 3.360587 1220.487       66.44305 1215.665       74.78897 1238.548       144.7383 99.99348 3.091460 100.2425 5.968003 -0.2490616     6.721174 
1 1 1 47  9  8  o 37.79400 6.679935 162.8137       49.37410 147.6388       54.23365 236.2879       119.3366 33.85464 6.856451 41.73336 11.46626 -7.878719      13.35987 
1 1 1 47  9  9  o 105.0214 3.575866 1444.995       73.03358 1510.583       82.92933 1218.323       154.1686 111.3241 3.079048 98.71860 6.454977 12.60555       7.151731 
1 1 1 47  9  10 o 78.10281 4.065283 756.4459       59.51122 752.8513       65.92170 772.2784       138.3490 78.41017 3.474991 77.79544 7.350548 0.6147308      8.130567 
1 1 1 47  9  11 o 54.67439 6.175225 432.8060       58.24636 451.9286       64.63372 350.1487       134.3774 60.36441 4.425638 48.98438 11.53028 11.38003       12.35045 
1 1 1 47  9  12 o 20.66261 6.721044 -10.27297      52.67270 -10.70408      56.40924 -7.338489      147.1718 16.18958 7.192710 25.13565 11.35582 -8.946075      13.44209 
1 1 1 47  9  13 o 40.07696 7.430202 251.4685       61.77161 253.8485       67.22088 238.5485       156.6180 43.84030 6.337651 36.31362 13.44120 7.526684       14.86040 
1 1 1 47  9  14 o 28.03071 8.060134 109.8154       63.09598 100.4608       66.67470 190.0060       195.2138 25.55607 8.848199 30.50536 13.47488 -4.949287      16.12027 
1 1 1 47  11 0  f 167.4856 3.458056 3365.614       115.9028 3332.508       130.8699 3486.020       249.5831 165.8101 3.262320 169.1611 6.098350 -3.351013      6.916111 
1 1 1 47  11 1  o 148.5249 3.353350 2666.847       99.69135 2655.733       112.7317 2706.722       213.5294 148.0143 3.148039 149.0354 5.921966 -1.021042      6.706700 
1 1 1 47  11 2  o 86.72213 3.713510 918.1409       60.08056 919.5250       66.46530 911.9572       140.4861 87.08246 3.154729 86.36180 6.723713 0.7206573      7.427021 
1 1 1 47  11 3  o 38.58923 6.329868 162.4613       45.45549 150.4269       49.35347 229.7442       116.6969 35.09369 5.812813 42.08478 11.24634 -6.991089      12.65974 
1 1 1 47  11 4  o 47.10415 6.165870 385.4046       49.44088 438.8101       54.50521 137.4182       117.4516 60.07954 3.749809 34.12877 11.74780 25.95078       12.33174 
1 1 1 47  11 5  o 60.38220 4.901308 494.0046       58.84974 536.4540       68.22565 370.6127       116.3201 66.33222 4.251291 54.43217 8.832769 11.90005       9.802616 
1 1 1 47  11 6  o 116.4887 3.385861 1701.149       77.94000 1731.990       88.25922 1591.910       166.1049 119.3603 3.056315 113.6171 6.042778 5.743187       6.771723 
1 1 1 47  11 7  o 65.37482 5.008557 609.2839       56.13175 650.7027       62.13086 425.3421       130.9330 73.05420 3.515280 57.69543 9.380052 15.35877       10.01711 
1 1 1 47  11 8  o 34.75601 7.586855 84.06425       59.85738 36.91032       65.48146 323.7359       147.6277 21.52386 8.504054 47.98816 12.56672 -26.46429      15.17371 
1 1 1 47  11 9  o 72.33890 4.619747 650.4546       58.34601 646.6364       63.47279 671.2671       148.1901 72.65713 3.610830 72.02068 8.504713 0.6364517      9.239493 
1 1 1 47  11 10 o 36.35433 6.529771 213.5310       53.74350 241.1576       58.88823 75.82391       131.4749 43.84032 5.552039 28.86834 11.82060 14.97198       13.05954 
1 1 1 47  11 11 o 62.31769 6.183506 557.0428       60.57948 570.6472       65.78493 481.1422       155.3853 67.85118 4.007437 56.78419 11.69972 11.06699       12.36701 
1 1 1 47  11 12 f 29.08132 7.383201 117.4318       54.45164 121.7666       58.00401 85.25877       158.0226 29.34902 7.965273 28.81362 12.43387 0.5354042      14.76640 
1 1 1 47  11 13 o 24.92996 7.796097 19.46499       60.22747 -5.990647      64.04838 213.9203       177.0215 16.93925 7.585320 32.92067 13.62275 -15.98141      15.59219 
1 1 1 47  13 0  o 50.97726 3.853680 315.7734       47.36246 280.6005       65.15921 355.1737       68.96389 47.96518 5.614969 53.98934 5.279727 -6.024155      7.707360 
1 1 1 47  13 1  o 48.90588 5.939885 277.2318       56.57024 260.3680       63.31615 343.9619       125.9498 46.17470 5.667717 51.63706 10.44059 -5.462360      11.87977 
1 1 1 47  13 2  o 101.6370 3.713955 1382.631       71.72194 1472.576       81.25700 1065.437       152.5932 110.1565 3.048936 93.11751 6.773317 17.03902       7.427909 
1 1 1 47  13 3  o 117.7072 3.447682 1676.605       78.05522 1666.558       87.00878 1718.025       176.6611 117.1511 3.069830 118.2632 6.174316 -1.112122      6.895364 
1 1 1 47  13 4  o 68.95470 4.531850 578.5326       54.85629 574.9203       59.67817 598.2153       139.3046 68.72737 3.589082 69.18202 8.322809 -0.4546509     9.063701 
1 1 1 47  13 5  o 26.99098 6.214167 99.28712       47.27587 126.6842       51.01614 -67.26949      125.7873 31.35715 6.910879 22.62481 10.32973 8.732336       12.42833 
1 1 1 47  13 6  o 66.78702 4.657470 549.5781       56.72364 546.6939       62.33301 563.4741       136.8196 66.89735 3.851296 66.67669 8.481488 0.2206573      9.314940 
1 1 1 47  13 7  o 88.21957 4.252877 953.0972       67.58742 945.4466       73.98683 991.6716       166.1338 87.98585 3.475676 88.45329 7.763216 -0.4674454     8.505754 
1 1 1 47  13 8  o 24.34070 8.726463 68.66734       65.27208 68.66734       65.27208 0.000000       0.000000 24.34070 8.726463 ?        ?        ?              ?        
1 1 1 47  13 9  o 67.40732 5.307941 600.8384       59.76960 607.4523       64.79800 563.1172       154.7478 70.25744 3.812123 64.55720 9.907809 5.700241       10.61588 
1 1 1 47  13 10 o 43.92471 7.186469 234.0718       55.72018 217.8158       59.81957 340.6306       153.1548 41.34860 5.979710 46.50081 13.06998 -5.152206      14.37294 
1 1 1 47  13 11 o 42.26077 7.635790 209.5323       57.56866 183.7672       61.55879 389.1731       162.5460 36.70474 7.189318 47.81680 13.47349 -11.11205      15.27158 
1 1 1 47  13 12 o 24.86454 7.684340 48.55090       59.11876 39.72464       62.59425 121.4753       179.9214 20.17594 8.196624 29.55313 13.00045 -9.377184      15.36868 
1 1 1 47  15 0  o 36.78841 5.279769 173.6199       45.35473 158.1834       64.98820 188.2772       63.32662 35.07402 7.853952 38.50280 7.058279 -3.428776      10.55954 
1 1 1 47  15 1  o 28.64459 4.376596 74.38313       43.46423 -83.86845      61.33757 233.9847       61.59865 13.63226 6.527360 43.65693 5.831977 -30.02467      8.753193 
1 1 1 47  15 2  o 55.25832 3.824567 375.8383       50.87571 333.0819       71.92934 418.6418       71.96893 52.05861 5.710988 58.45804 5.088602 -6.399433      7.649134 
1 1 1 47  15 3  o 50.19685 4.007053 310.7104       48.58611 298.0999       69.70015 322.6296       67.76305 49.17434 5.858586 51.21937 5.468352 -2.045025      8.014107 
1 1 1 47  15 4  o 46.91389 6.449971 331.0431       50.79816 351.9651       55.29372 217.8465       128.6147 53.63367 4.261240 40.19410 12.17581 13.43957       12.89994 
1 1 1 47  15 5  o 115.6403 3.750559 1738.103       81.42399 1795.582       91.09980 1509.816       181.5523 121.4096 3.101430 109.8710 6.829928 11.53859       7.501119 
1 1 1 47  15 6  o 37.17074 7.030303 202.5445       51.38260 214.4580       54.56381 109.2207       152.7149 41.58563 5.423243 32.75585 12.97263 8.829777       14.06061 
1 1 1 47  15 7  o 55.15700 6.587946 374.1893       70.66457 350.4625       79.23704 466.3891       156.1974 52.79471 6.203481 57.51929 11.62415 -4.724579      13.17589 
1 1 1 47  15 8  o 28.45158 7.951945 78.98743       55.71497 77.38707       58.58876 94.11065       180.1060 24.67914 8.300036 32.22402 13.56625 -7.544884      15.90389 
1 1 1 47  15 9  o 19.99539 6.600764 -16.95633      52.42700 -9.895083      55.67852 -72.17133      155.6953 16.20817 7.176075 23.78261 11.08081 -7.574434      13.20153 
1 1 1 47  15 10 f 29.66631 7.752080 110.0781       55.09081 106.5590       58.40314 138.4890       165.9442 27.54545 8.173675 31.78717 13.17460 -4.241718      15.50416 
1 1 1 47  15 11 o 22.91239 9.346194 57.67991       81.80127 57.67991       81.80127 0.000000       0.000000 22.91239 9.346194 ?        ?        ?              ?        
1 1 1 47  17 0  o 86.60428 2.999640 914.2948       62.75710 849.7012       86.54950 985.9088       91.13157 83.37666 4.290597 89.83189 4.193108 -6.455223      5.999281 
1 1 1 47  17 1  o 30.61086 5.935844 122.5108       45.45700 108.6720       66.31381 134.7774       62.43334 29.08309 8.727865 32.13863 8.047443 -3.055540      11.87169 
1 1 1 47  17 2  o 50.89490 4.162662 327.6615       49.90446 250.7360       72.08751 398.4555       69.15492 44.87341 6.640009 56.91638 5.022079 -12.04297      8.325323 
1 1 1 47  17 3  o 60.23001 3.779070 454.7192       53.86235 349.7748       76.47237 558.0354       75.87685 53.07926 5.954939 67.38075 4.654480 -14.30149      7.558140 
1 1 1 47  17 4  o 60.58194 3.802351 456.8677       55.44666 414.0513       79.56860 497.2848       77.30712 57.72152 5.697727 63.44236 5.036604 -5.720848      7.604701 
1 1 1 47  17 5  o 52.36403 4.344578 338.5147       53.32954 469.7255       80.71507 236.8582       71.04562 61.43804 5.430189 43.29002 6.783396 18.14802       8.689156 
1 1 1 47  17 6  o 47.21660 7.496108 357.2485       71.60257 391.3075       79.76638 215.9429       162.4739 55.77377 5.911362 38.65942 13.77760 17.11435       14.99222 
1 1 1 47  17 7  o 24.74656 7.278006 53.42415       55.74343 62.49815       59.36411 -14.22963      162.0954 22.99654 8.312546 26.49659 11.94902 -3.500042      14.55601 
1 1 1 47  17 8  o 33.74326 6.669938 196.9859       59.83422 230.4117       63.27151 -85.81796      184.0391 42.33761 6.177028 25.14890 11.82356 17.18871       13.33988 
1 1 1 47  17 9  o 64.85234 5.945322 545.8975       93.28317 545.8975       93.28317 0.000000       0.000000 64.85234 5.945322 ?        ?        ?              ?        
1 1 1 47  19 0  o 45.41778 4.893549 261.4196       52.16616 305.5115       75.72208 221.5899       71.96909 49.48713 6.324527 41.34843 7.469113 8.138695       9.787098 
1 1 1 47  19 1  o 86.08737 3.145793 910.4217       65.44193 850.2344       91.05278 974.7339       94.12119 83.12231 4.527654 89.05244 4.368569 -5.930122      6.291586 
1 1 1 47  19 2  o 67.53069 3.662745 570.9822       59.10736 479.2913       84.69831 658.0280       82.52492 62.03955 5.642919 73.02184 4.671217 -10.98228      7.325490 
1 1 1 47  19 3  o 54.32708 4.482150 385.3050       56.16383 265.5510       81.44526 493.8862       77.55293 45.59090 7.383892 63.06327 5.082993 -17.47237      8.964299 
1 1 1 47  19 4  o 50.38099 4.550787 326.4856       54.50984 270.1808       79.11648 377.3660       75.20898 45.92473 7.120624 54.83725 5.668807 -8.912521      9.101575 
1 1 1 47  19 5  o 76.71364 3.432142 730.2850       63.45012 778.2297       94.96742 691.6257       85.27680 78.91710 4.973948 74.51019 4.730564 4.406914       6.864285 
1 1 1 47  19 6  o 29.28139 7.392249 118.0662       65.42597 71.75491       123.5611 136.1095       77.12526 27.51585 11.38337 31.04694 9.433997 -3.531088      14.78450 
1 1 1 47  21 0  f 39.93739 5.620146 210.3895       53.23996 307.7650       78.35381 126.8722       72.56438 49.25708 6.574900 30.61770 9.116735 18.63938       11.24029 
1 1 1 47  21 1  o 33.91385 6.017721 152.6059       52.48133 238.2919       77.22023 79.05405       71.54399 42.30536 7.833031 25.52234 9.137587 16.78302       12.03544 
1 1 1 48  0  0  o 102.6782 2.655971 1281.360       93.02470 1281.360       93.02470 1281.360       93.02470 102.6782 3.756111 102.6782 3.756111 0.000000       0.000000 
1 1 1 48  0  1  o 93.66608 2.750371 1067.637       87.79807 1067.637       87.79807 1067.637       87.79807 93.66608 3.889611 93.66608 3.889611 0.000000       0.000000 
1 1 1 48  0  2  o 297.2785 4.035425 10723.21       410.1181 10723.21       410.1181 10723.21       410.1181 297.2785 5.706953 297.2785 5.706953 0.000000       0.000000 
1 1 1 48  0  3  o 257.1754 3.623225 8024.884       318.5320 8024.884       318.5320 8024.884       318.5320 257.1754 5.124014 257.1754 5.124014 0.000000       0.000000 
1 1 1 48  0  4  f 247.9442 3.525141 7461.668       298.7800 7461.668       298.7800 7461.668       298.7800 247.9442 4.985303 247.9442 4.985303 0.000000       0.000000 
1 1 1 48  0  5  o 246.8791 3.517002 7401.234       296.8085 7401.234       296.8085 7401.234       296.8085 246.8791 4.973792 246.8791 4.973792 0.000000       0.000000 
1 1 1 48  0  6  o 119.4756 2.569381 1734.643       104.8129 1734.643       104.8129 1734.643       104.8129 119.4756 3.633654 119.4756 3.633654 0.000000       0.000000 
1 1 1 48  0  7  o 28.95205 6.086370 125.9559       52.46674 125.9559       52.46674 125.9559       52.46674 28.95205 8.607428 28.95205 8.607428 0.000000       0.000000 
1 1 1 48  0  8  o 169.6359 2.896992 3501.193       167.9228 3501.193       167.9228 3501.193       167.9228 169.6359 4.096966 169.6359 4.096966 0.000000       0.000000 
1 1 1 48  0  9  o 105.0432 2.689076 1345.889       96.35965 1345.889       96.35965 1345.889       96.35965 105.0432 3.802927 105.0432 3.802927 0.000000       0.000000 
1 1 1 48  0  10 o 10.89645 5.227003 -28.78514      58.42077 -28.78514      58.42077 -28.78514      58.42077 10.89645 7.392098 10.89645 7.392098 0.000000       0.000000 
1 1 1 48  0  11 o 105.6593 2.739184 1365.910       98.72334 1365.910       98.72334 1365.910       98.72334 105.6593 3.873791 105.6593 3.873791 0.000000       0.000000 
1 1 1 48  0  12 o 26.02644 7.654949 121.4048       67.99352 121.4048       67.99352 121.4048       67.99352 26.02644 10.82573 26.02644 10.82573 0.000000       0.000000 
1 1 1 48  0  13 o 15.07888 6.719384 21.08822       73.32450 21.08822       73.32450 21.08822       73.32450 15.07888 9.502645 15.07888 9.502645 0.000000       0.000000 
1 1 1 48  0  14 o 16.41522 7.107323 40.81503       76.34302 40.81503       76.34302 40.81503       76.34302 16.41522 10.05127 16.41522 10.05127 0.000000       0.000000 
1 1 1 48  2  0  f 209.0981 3.628180 5320.371       159.6399 5338.175       184.9259 5268.293       316.2736 209.9261 3.641069 208.2701 6.276734 1.656006       7.256361 
1 1 1 48  2  1  o 81.12625 3.355491 835.1707       57.06455 876.8233       66.82660 723.0220       109.6541 85.08801 3.246225 77.16449 5.873611 7.923523       6.710982 
1 1 1 48  2  2  o 86.38571 3.244843 873.8851       56.69817 849.5439       64.02085 962.4033       122.0864 83.75122 3.159570 89.02020 5.668611 -5.268974      6.489686 
1 1 1 48  2  3  o 142.8086 3.107139 2509.760       93.34377 2547.814       108.4451 2400.952       183.3748 145.0276 3.090698 140.5896 5.391181 4.437988       6.214277 
1 1 1 48  2  4  o 77.70726 3.477059 778.0875       54.76255 820.3471       63.24736 651.5170       109.4576 82.27569 3.177376 73.13883 6.185794 9.136856       6.954119 
1 1 1 48  2  5  o 92.05371 3.254374 1077.549       61.35152 1124.083       70.93837 939.4409       122.2096 96.29942 3.044775 87.80799 5.752664 8.491432       6.508748 
1 1 1 48  2  6  o 127.0419 3.062794 2002.696       81.48196 2044.648       94.61034 1882.213       160.3335 129.8430 3.011741 124.2407 5.334064 5.602364       6.125588 
1 1 1 48  2  7  o 172.3954 3.311130 3593.071       118.2299 3563.499       135.5541 3687.091       241.7025 171.2881 3.271019 173.5026 5.758018 -2.214462      6.622260 
1 1 1 48  2  8  o 65.47844 3.816715 522.3710       60.46309 522.3710       60.46309 0.000000       0.000000 65.47844 3.816715 ?        ?        ?              ?        
1 1 1 48  2  9  o 45.62969 5.224993 235.6561       46.60052 215.0644       52.02661 319.2148       104.8033 41.82159 5.141888 49.43779 9.097428 -7.616192      10.44999 
1 1 1 48  2  10 o 76.92686 3.896821 766.8977       58.65073 793.7690       66.54796 673.4087       124.1283 80.63804 3.411085 73.21568 7.007522 7.422356       7.793642 
1 1 1 48  2  11 o 14.71044 5.031005 -68.97974      43.75968 -50.04443      48.64417 -149.3159      100.1959 12.82955 6.046152 16.59133 8.042891 -3.761783      10.06201 
1 1 1 48  2  12 o 27.34810 5.636015 89.85011       47.25572 174.5475       66.30738 2.430557       67.36452 35.97303 7.840142 18.72316 8.098816 17.24987       11.27203 
1 1 1 48  2  13 o 31.06150 6.451723 136.2046       53.27831 95.25288       74.49049 179.0953       76.23355 26.64598 9.345228 35.47703 8.897508 -8.831051      12.90345 
1 1 1 48  2  14 o 20.93882 6.140599 31.59066       52.48704 68.72199       75.31981 -3.462886      73.18210 23.55809 9.176102 18.31954 8.162537 5.238550       12.28120 
1 1 1 48  4  0  o 229.4015 4.110035 6361.281       213.2732 6311.197       258.6818 6467.579       376.8625 228.1431 4.686583 230.6599 6.753185 -2.516800      8.220071 
1 1 1 48  4  1  o 252.9251 4.147630 7701.213       217.0113 7638.350       248.6082 7902.439       444.7956 251.0367 4.093322 254.8136 7.214988 -3.776855      8.295260 
1 1 1 48  4  2  o 49.32070 5.071179 343.8433       45.05706 375.4465       51.16836 234.7412       95.07197 55.65768 3.799917 42.98372 9.403619 12.67396       10.14236 
1 1 1 48  4  3  o 273.2466 4.422469 8896.820       245.9823 8739.368       279.1851 9443.188       520.0676 268.3954 4.299469 278.0978 7.729651 -9.702393      8.844938 
1 1 1 48  4  4  o 159.1839 3.225899 3128.278       107.5037 3180.885       124.6571 2975.610       212.3593 162.0009 3.180514 156.3669 5.613378 5.634003       6.451797 
1 1 1 48  4  5  o 179.5035 3.393296 3921.812       126.2236 3924.589       145.0497 3913.147       256.1967 179.8848 3.332883 179.1222 5.911829 0.7625885      6.786592 
1 1 1 48  4  6  o 22.45389 5.820198 53.02755       40.64175 72.94527       45.73302 -21.78465      88.63314 24.21912 7.243500 20.68867 9.112108 3.530445       11.64040 
1 1 1 48  4  7  o 42.71312 5.147482 210.7957       43.40137 196.5199       48.78664 264.9613       95.03059 40.09899 5.028810 45.32725 8.983171 -5.228256      10.29496 
1 1 1 48  4  8  o 114.7739 3.784833 1605.535       105.0975 1605.535       105.0975 0.000000       0.000000 114.7739 3.784833 ?        ?        ?              ?        
1 1 1 48  4  9  o 86.80165 3.710105 979.2161       62.99443 1020.043       71.58189 839.0244       132.6443 91.51423 3.233048 82.08907 6.678840 9.425156       7.420209 
1 1 1 48  4  10 o 49.36582 5.336096 289.1584       48.34739 275.4565       53.27455 353.1231       115.1068 47.29649 4.655737 51.43515 9.603114 -4.138657      10.67219 
1 1 1 48  4  11 o 21.11165 6.458747 6.208612       47.82420 -0.6661199     52.87170 37.14456       112.1572 16.65468 7.189536 25.56862 10.73183 -8.913940      12.91749 
1 1 1 48  4  12 o 28.97989 6.946288 108.8603       50.52850 110.3264       55.99091 102.4271       117.2863 28.52484 7.860997 29.43494 11.45462 -0.9101048     13.89258 
1 1 1 48  4  13 o 34.56746 6.932597 190.5145       58.46684 209.6385       63.91819 92.52826       144.6831 40.05714 6.595417 29.07779 12.19607 10.97935       13.86519 
1 1 1 48  4  14 o 35.29601 7.907173 133.7357       57.09602 96.11871       61.38571 375.0149       155.4658 25.72772 8.491884 44.86430 13.34097 -19.13658      15.81435 
1 1 1 48  6  0  o 123.9728 3.064780 1953.401       80.73379 2065.283       95.42500 1671.624       151.4385 130.5921 3.020250 117.3535 5.333816 13.23861       6.129560 
1 1 1 48  6  1  o 175.0183 3.371786 3845.892       125.9035 4004.957       148.4584 3438.430       237.6080 181.8184 3.374927 168.2183 5.838291 13.60017       6.743573 
1 1 1 48  6  2  o 188.2185 3.521841 4213.445       134.3106 4142.447       152.1541 4464.010       285.8370 184.8892 3.401495 191.5478 6.167923 -6.658554      7.043681 
1 1 1 48  6  3  o 29.45987 6.319700 108.6551       43.05080 115.5547       47.70684 78.39381       99.91075 30.19887 6.704409 28.72087 10.71473 1.477991       12.63940 
1 1 1 48  6  4  o 80.29385 3.355953 738.5551       53.57174 707.0192       59.89951 864.6044       119.7542 76.36274 3.242198 84.22497 5.876890 -7.862228      6.711905 
1 1 1 48  6  5  o 119.9580 3.104224 1775.700       76.11791 1798.942       87.21013 1701.368       155.9604 121.8017 2.959452 118.1143 5.457698 3.687386       6.208448 
1 1 1 48  6  6  o 68.52361 3.913245 611.7424       51.17199 638.4807       57.68013 512.9090       110.8949 72.51051 3.287933 64.53671 7.102355 7.973801       7.826490 
1 1 1 48  6  7  o 106.1333 3.195941 1430.711       69.38754 1483.827       80.07858 1270.672       139.0005 110.5241 2.994727 101.7424 5.646925 8.781624       6.391882 
1 1 1 48  6  8  o 28.48813 6.689528 105.2742       54.06183 131.3745       61.22725 12.93278       115.1650 31.76801 7.977453 25.20826 10.74055 6.559753       13.37906 
1 1 1 48  6  9  o 53.25115 5.559024 384.8259       51.64674 397.6442       57.26719 328.9709       119.5422 56.98220 4.153979 49.52010 10.31288 7.462101       11.11805 
1 1 1 48  6  10 o 62.39011 4.291931 425.3157       51.92733 388.8792       57.17194 597.0256       124.1113 56.24957 4.201084 68.53066 7.485559 -12.28110      8.583862 
1 1 1 48  6  11 o 45.44733 6.061674 265.1656       51.97667 258.5311       57.83248 293.0399       118.5407 45.50542 5.252988 45.38925 10.92619 0.1161652      12.12335 
1 1 1 48  6  12 o 33.20316 7.264201 119.3840       51.35977 95.11561       56.16848 243.1886       126.8646 26.51467 8.049565 39.89166 12.09458 -13.37700      14.52840 
1 1 1 48  6  13 o 20.91031 6.505480 19.13735       56.37159 42.29438       61.20669 -110.3034      144.7082 20.67551 8.204992 21.14510 10.09768 -0.4695892     13.01096 
1 1 1 48  6  14 o 33.02270 8.124245 164.2330       62.61732 152.6631       66.95984 244.8543       176.7558 31.76084 8.532371 34.28456 13.82794 -2.523720      16.24849 
1 1 1 48  8  0  o 247.8109 4.134868 7329.246       208.7850 7216.316       237.1776 7718.024       440.0700 243.9632 4.018343 251.6587 7.227824 -7.695511      8.269735 
1 1 1 48  8  1  o 69.51698 3.787581 471.6288       51.10558 407.3076       55.87887 800.5949       126.3707 57.95222 3.985430 81.08173 6.442004 -23.12951      7.575161 
1 1 1 48  8  2  o 22.95694 6.393099 42.11837       43.26955 48.05207       47.48608 13.08745       105.0350 21.17157 7.458741 24.74231 10.38528 -3.570738      12.78620 
1 1 1 48  8  3  o 74.46805 3.602986 667.5463       53.23372 662.3082       59.94414 687.0910       115.7918 73.90303 3.352603 75.03307 6.378563 -1.130035      7.205971 
1 1 1 48  8  4  o 195.2183 3.552938 4732.780       145.8573 4831.760       169.7318 4453.302       285.2091 199.5293 3.516044 190.9073 6.175023 8.621948       7.105876 
1 1 1 48  8  5  o 157.6206 3.267859 3019.566       105.4769 3013.020       120.4828 3041.047       218.2408 157.5558 3.160737 157.6854 5.720606 -0.1296539     6.535717 
1 1 1 48  8  6  o 167.0988 3.347228 3493.402       117.0481 3581.683       136.0641 3242.118       229.5580 171.6747 3.275932 162.5229 5.838152 9.151794       6.694457 
1 1 1 48  8  7  o 34.77473 5.953144 153.6959       43.06441 154.5526       48.31798 150.3867       94.96615 35.44252 5.634843 34.10695 10.48848 1.335575       11.90629 
1 1 1 48  8  8  o 56.60876 6.243347 445.5718       63.65075 467.7499       71.44694 360.2617       140.1270 61.72026 4.784688 51.49725 11.53362 10.22301       12.48669 
1 1 1 48  8  9  o 64.76514 4.590740 525.8278       52.21247 526.4060       56.95663 522.7841       130.6739 65.62360 3.587417 63.90668 8.451627 1.716927       9.181479 
1 1 1 48  8  10 o 41.27374 6.520798 242.1603       51.69869 251.6156       57.07296 198.9292       122.0372 44.97369 5.245292 37.57379 11.94027 7.399899       13.04160 
1 1 1 48  8  11 o 23.70377 6.855245 44.28803       50.86492 42.45621       56.09142 52.76621       120.6719 20.71111 7.959339 26.69644 11.16362 -5.985332      13.71049 
1 1 1 48  8  12 o 44.52559 6.776899 353.1241       56.73616 388.2180       61.77196 163.8311       143.4640 55.65762 4.587377 33.39356 12.75388 22.26406       13.55380 
1 1 1 48  8  13 o 23.36606 6.952541 55.38292       58.50118 72.56954       62.87024 -55.53837      159.7193 23.43415 8.541635 23.29797 10.97232 0.1361809      13.90508 
1 1 1 48  8  14 o 21.81631 6.900178 38.43866       63.86953 56.09630       68.27493 -85.29447      180.7332 21.38413 8.604910 22.24848 10.78913 -0.8643456     13.80036 
1 1 1 48  10 0  o 56.89457 4.766085 385.6151       49.92952 380.6985       54.84792 409.3992       120.6345 56.01350 4.047298 57.77564 8.630275 -1.762135      9.532170 
1 1 1 48  10 1  o 165.4911 3.401409 3356.249       114.6364 3380.119       130.9225 3277.811       237.3290 166.9778 3.240807 164.0044 5.981264 2.973404       6.802819 
1 1 1 48  10 2  o 143.5996 3.322720 2644.327       98.31744 2785.967       114.3477 2242.713       192.5483 151.5854 3.117940 135.6138 5.868588 15.97160       6.645440 
1 1 1 48  10 3  o 156.8526 3.319655 3116.982       108.8088 3250.517       126.9971 2748.364       211.0008 163.6864 3.206853 150.0188 5.813478 13.66759       6.639310 
1 1 1 48  10 4  o 71.46805 3.749665 562.8315       51.88525 526.4608       57.24710 730.1606       122.7901 65.82253 3.594815 77.11356 6.581584 -11.29104      7.499330 
1 1 1 48  10 5  o 122.9880 3.351882 1926.484       81.70760 1990.957       93.00962 1708.507       171.0190 128.0423 3.002425 117.9338 5.993821 10.10849       6.703763 
1 1 1 48  10 6  o 23.65713 6.379439 30.28901       41.90512 12.77383       46.46450 106.6270       97.00282 17.05488 7.010308 30.25938 10.66042 -13.20450      12.75888 
1 1 1 48  10 7  o 63.28745 5.280789 580.4333       55.68979 622.8542       61.89491 400.1190       127.6086 71.46535 3.579786 55.10955 9.936401 16.35580       10.56158 
1 1 1 48  10 8  f 45.08249 6.182226 253.1157       67.43029 253.1157       67.43029 0.000000       0.000000 45.08249 6.182226 ?        ?        ?              ?        
1 1 1 48  10 9  o 18.06345 5.797874 -14.61363      46.81050 8.278974       51.03434 -135.9905      117.5122 17.14765 7.220436 18.97925 9.073406 -1.831598      11.59575 
1 1 1 48  10 10 o 32.81671 7.433111 123.6866       51.08954 112.6994       55.02354 192.3855       137.5875 28.98060 7.712083 36.65282 12.70938 -7.672222      14.86622 
1 1 1 48  10 11 o 36.01397 6.842849 199.8260       54.25645 214.3872       58.98696 119.8096       138.2760 41.00112 5.946454 31.02683 12.32631 9.974291       13.68570 
1 1 1 48  10 12 o 46.14777 7.174959 280.0952       59.41743 263.0208       64.36209 378.5842       154.5794 45.05606 5.904384 47.23947 13.07893 -2.183411      14.34992 
1 1 1 48  10 13 o 23.34511 7.430254 28.68650       59.73966 18.82365       63.62158 102.1892       173.6820 18.51609 7.938398 28.17413 12.56250 -9.658041      14.86051 
1 1 1 48  12 0  o 104.9461 3.520190 1348.875       70.58379 1354.290       78.69349 1326.591       159.6410 105.6850 3.077677 104.2072 6.332051 1.477829       7.040381 
1 1 1 48  12 1  o 110.2043 3.543108 1555.961       74.89550 1609.946       84.31149 1353.956       163.0904 115.2164 3.024617 105.1923 6.408288 10.02405       7.086217 
1 1 1 48  12 2  o 41.25286 5.781353 315.2213       59.24226 423.0985       67.51350 -45.90125      123.5245 58.92532 4.735723 23.58040 10.54842 35.34492       11.56271 
1 1 1 48  12 3  o 87.03318 3.842499 934.2568       61.65607 938.4498       68.05424 915.0506       145.6518 87.90416 3.199952 86.16220 6.987096 1.741959       7.684999 
1 1 1 48  12 4  o 97.92548 3.679351 1282.521       69.55225 1368.903       79.26998 993.5753       144.9785 106.1439 3.086821 89.70707 6.679972 16.43681       7.358702 
1 1 1 48  12 5  o 34.85878 6.369970 172.8659       47.22145 187.9011       51.73407 97.78703       115.6063 39.09200 5.469990 30.62557 11.50588 8.466423       12.73994 
1 1 1 48  12 6  o 59.17486 5.478070 466.6308       56.03458 478.7122       61.87456 411.5408       132.1262 62.57003 4.087365 55.77969 10.16516 6.790337       10.95614 
1 1 1 48  12 7  o 81.00491 4.148069 787.7612       62.62126 772.6268       68.98235 858.6555       149.3001 79.52463 3.585371 82.48521 7.481379 -2.960579      8.296139 
1 1 1 48  12 8  o 19.96472 8.234375 21.17263       64.37851 21.17263       64.37851 0.000000       0.000000 19.96472 8.234375 ?        ?        ?              ?        
1 1 1 48  12 9  o 26.68656 6.930574 -9.243010      47.31321 -45.29390      50.69628 234.1463       131.7252 13.39739 6.268779 39.97573 12.36260 -26.57833      13.86115 
1 1 1 48  12 10 o 32.44719 7.560135 128.5004       53.18560 120.2339       57.21374 181.0827       144.2975 29.68206 7.847600 35.21232 12.92431 -5.530256      15.12027 
1 1 1 48  12 11 o 36.19531 7.793397 164.9677       56.57145 148.9993       60.76262 268.8876       155.0081 32.69984 7.791324 39.69077 13.49976 -6.990929      15.58679 
1 1 1 48  12 12 o 37.44750 7.419209 233.3242       60.46644 239.8253       64.56259 186.9126       172.5050 42.44046 6.287797 32.45454 13.44032 9.985920       14.83842 
1 1 1 48  14 0  o 115.8291 2.735458 1632.349       76.59372 1714.344       108.6229 1551.262       108.0193 118.7371 3.781228 112.9210 3.953888 5.816025       5.470915 
1 1 1 48  14 1  o 178.9395 2.973048 3900.329       128.6591 3871.751       179.1823 3930.745       184.8532 178.2781 4.154270 179.6008 4.254186 -1.322617      5.946096 
1 1 1 48  14 2  o 123.9735 3.456796 1881.717       81.88018 1883.035       91.23779 1876.264       185.6094 124.5018 3.028984 123.4453 6.214742 1.056480       6.913592 
1 1 1 48  14 3  o 49.20843 6.150585 296.4326       51.16809 290.6649       55.38491 330.0417       133.6950 48.73620 4.697183 49.68065 11.36905 -0.9444466     12.30117 
1 1 1 48  14 4  o 19.67286 6.424009 -78.67152      44.75750 -96.61079      47.71706 52.63534       129.0966 10.75175 5.283669 28.59397 11.71129 -17.84222      12.84802 
1 1 1 48  14 5  o 92.73233 4.113633 1057.388       68.54208 1053.799       75.04964 1075.431       168.2799 92.97590 3.336383 92.48877 7.520402 0.4871292      8.227266 
1 1 1 48  14 6  o 61.78611 5.713336 517.6854       58.54591 530.7748       64.08506 451.6359       143.9566 65.80560 4.025239 57.76661 10.69422 8.038990       11.42667 
1 1 1 48  14 7  o 69.95915 5.288779 612.7077       72.28979 604.4566       81.06862 644.7353       159.7194 69.90420 4.793439 70.01411 9.429088 -0.1099167     10.57756 
1 1 1 48  14 8  o 47.73155 6.993933 449.1512       60.21954 498.6608       64.25770 91.96907       172.5940 63.54819 4.179455 31.91491 13.34888 31.63328       13.98787 
1 1 1 48  14 9  o 36.76186 7.147996 204.4447       54.85270 214.9060       58.57640 129.9227       156.3402 41.12177 5.887739 32.40196 13.02728 8.719814       14.29599 
1 1 1 48  14 10 o 39.10941 7.493876 211.1485       55.56347 205.9417       59.24904 249.1374       160.0381 39.88756 6.139620 38.33125 13.67252 1.556309       14.98775 
1 1 1 48  14 11 o 25.50463 8.598330 93.10915       62.87716 93.10915       62.87716 0.000000       0.000000 25.50463 8.598330 ?        ?        ?              ?        
1 1 1 48  14 12 o 23.25137 9.534263 71.19286       85.68681 71.19286       85.68681 0.000000       0.000000 23.25137 9.534263 ?        ?        ?              ?        
1 1 1 48  16 0  o 36.38862 5.406900 171.0515       45.99568 167.2033       67.39192 174.4072       62.93226 35.92348 7.963116 36.85376 7.316219 -0.9302788     10.81380 
1 1 1 48  16 1  o 26.86605 5.904753 91.22322       42.89724 72.95362       64.00025 106.1263       57.80361 25.06011 8.669353 28.67199 8.019148 -3.611881      11.80951 
1 1 1 48  16 2  o 80.19394 3.050972 784.6520       58.94022 688.3820       81.15728 892.0999       85.73945 74.96939 4.474466 85.41850 4.148838 -10.44910      6.101943 
1 1 1 48  16 3  o 37.90823 5.403282 186.1667       47.71021 193.3510       70.64633 180.1425       64.69114 38.53360 7.844553 37.28286 7.432686 1.250744       10.80656 
1 1 1 48  16 4  o 77.91498 3.216611 744.1471       60.54553 795.0064       88.39819 699.2058       83.09618 80.41678 4.543540 75.41318 4.554404 5.003601       6.433223 
1 1 1 48  16 5  o 24.94905 7.305377 30.37334       51.25723 20.93751       54.97752 93.09935       141.7486 18.80589 7.665574 31.09222 12.43837 -12.28634      14.61075 
1 1 1 48  16 6  o 19.09650 6.472888 -84.53489      50.88616 -97.71358      54.47925 5.602618       142.4780 11.80340 5.768066 26.38960 11.58976 -14.58621      12.94578 
1 1 1 48  16 7  o 47.39312 7.585529 309.1261       59.96849 307.1021       63.92551 323.9738       173.1364 49.49433 5.338465 45.29190 14.20077 4.202423       15.17106 
1 1 1 48  16 8  o 38.59150 8.083168 185.7775       58.33261 174.0289       61.80042 281.7371       176.6217 35.92187 7.358450 41.26112 14.39457 -5.339249      16.16634 
1 1 1 48  16 9  o 33.21577 9.248600 161.0356       77.06638 161.0356       77.06638 0.000000       0.000000 33.21577 9.248600 ?        ?        ?              ?        
1 1 1 48  18 0  o 113.7262 2.833658 1575.466       77.79118 1468.177       105.9021 1701.198       114.6439 109.5435 3.995911 117.9088 4.018853 -8.365379      5.667317 
1 1 1 48  18 1  o 39.04527 5.341163 200.7667       48.81136 144.5331       70.31810 253.0598       67.80959 33.01924 8.685723 45.07130 6.218545 -12.05206      10.68233 
1 1 1 48  18 2  o 89.31020 3.112398 980.4454       67.23984 956.3219       94.32284 1005.372       95.87926 88.18716 4.420884 90.43324 4.382221 -2.246078      6.224795 
1 1 1 48  18 3  o 72.56158 3.470130 652.0021       60.86145 676.1196       85.45296 627.1740       86.70281 73.96761 4.775109 71.15556 5.036421 2.812050       6.940260 
1 1 1 48  18 4  o 26.25294 6.437795 85.56576       49.98748 79.40003       72.25541 91.22559       69.22768 25.72972 9.185973 26.77615 9.022122 -1.046425      12.87559 
1 1 1 48  18 5  o 47.08569 4.812836 290.4487       52.25735 228.1186       74.53474 350.7095       73.28715 41.38803 7.727781 52.78334 5.738900 -11.39531      9.625672 
1 1 1 48  18 6  o 26.91781 6.257399 92.60047       48.39107 131.3832       71.43719 59.71445       65.78259 30.74928 9.017200 23.08634 8.678149 7.662945       12.51480 
1 1 1 48  18 7  o 28.17576 11.84787 76.85902       137.1055 76.85902       137.1055 0.000000       0.000000 28.17576 11.84787 ?        ?        ?              ?        
1 1 1 48  20 0  o 66.77602 3.700522 554.2790       59.21322 459.0705       81.96817 658.1896       85.63223 60.65323 5.585847 72.89882 4.855282 -12.24559      7.401044 
1 1 1 48  20 1  o 23.97299 6.302205 56.11919       50.98382 98.65898       73.36501 16.38770       70.90205 27.68018 9.288001 20.26580 8.520809 7.414373       12.60441 
1 1 1 48  20 2  o 43.33810 5.428064 243.7743       55.23632 297.0219       82.31496 200.1571       74.50025 48.14354 7.067054 38.53265 8.240890 9.610889       10.85613 
1 1 1 48  20 3  o 74.73108 4.754548 704.0573       81.92426 755.8596       140.4361 677.3350       100.8651 76.18251 7.619405 73.27965 5.689251 2.902863       9.509096 
1 1 1 49  1  0  o 175.2549 3.321025 3749.287       122.2958 3775.053       141.6864 3674.004       242.1902 176.5490 3.317116 173.9608 5.754438 2.588181       6.642049 
1 1 1 49  1  1  o 147.5493 3.137801 2727.792       98.43295 2832.813       115.7417 2453.302       187.1171 152.9395 3.128008 142.1590 5.440472 10.78046       6.275601 
1 1 1 49  1  2  o 279.1348 4.453674 9393.389       257.4413 9317.248       295.0959 9635.932       526.6858 277.1674 4.400668 281.1022 7.744352 -3.934753      8.907349 
1 1 1 49  1  3  o 183.9410 3.414959 4173.928       133.0956 4247.203       155.3223 3971.446       258.1953 187.1988 3.429482 180.6832 5.906474 6.515656       6.829917 
1 1 1 49  1  4  o 171.2279 3.325973 3464.045       115.9454 3383.891       131.4280 3745.390       246.2313 167.0781 3.251368 175.3777 5.803187 -8.299591      6.651945 
1 1 1 49  1  5  o 143.3104 3.103115 2525.397       93.85670 2557.128       109.1643 2435.455       183.7902 145.2225 3.107022 141.3982 5.372496 3.824249       6.206230 
1 1 1 49  1  6  o 58.19258 3.881539 431.8466       45.49320 448.1040       52.17030 380.2498       92.94148 60.74095 3.550091 55.64422 6.903784 5.096729       7.763078 
1 1 1 49  1  7  o 16.28511 5.186985 -20.85181      38.08584 -19.15441      44.32602 -25.63950      74.44389 14.07431 6.305790 18.49591 8.237491 -4.421605      10.37397 
1 1 1 49  1  8  o 95.05261 3.421397 1142.145       66.48790 1175.595       76.55891 1039.500       134.1105 98.30605 3.218942 91.79917 6.038398 6.506874       6.842794 
1 1 1 49  1  9  o 59.41804 3.524104 435.9023       50.40484 413.2534       73.86026 455.6447       68.95836 57.90977 5.271773 60.92631 4.678210 -3.016544      7.048208 
1 1 1 49  1  10 o 58.93988 3.641764 431.0107       51.56033 370.2403       72.44171 493.4036       73.40243 54.62994 5.480948 63.24982 4.796770 -8.619884      7.283529 
1 1 1 49  1  11 o 71.20609 3.243110 627.1892       55.85285 616.6356       77.81289 638.4053       80.21772 70.59921 4.555640 71.81297 4.617056 -1.213753      6.486221 
1 1 1 49  1  12 o 33.17583 6.003703 152.5436       49.51809 194.0899       69.86568 110.6061       70.19378 37.85132 7.885195 28.50034 9.055468 9.350983       12.00741 
1 1 1 49  1  13 o 52.73130 4.678498 364.8042       59.55897 388.6007       83.99252 340.7376       84.46771 54.61948 6.356100 50.84311 6.866830 3.776375       9.356996 
1 1 1 49  1  14 o 17.66898 5.576953 -43.30902      52.89183 53.23747       77.93694 -125.7395      72.01432 22.25088 9.104842 13.08708 6.442939 9.163797       11.15391 
1 1 1 49  3  0  o 150.5601 3.159978 2826.641       100.9395 2917.435       118.3388 2584.176       193.3857 155.2100 3.151413 145.9103 5.478179 9.299698       6.319957 
1 1 1 49  3  1  o 409.2411 6.095592 20652.14       529.9977 20884.11       618.6008 20011.90       1027.723 414.5205 6.168252 403.9617 10.51559 10.55881       12.19118 
1 1 1 49  3  2  o 69.26645 3.829377 601.4941       53.02809 616.9516       60.40550 549.5538       110.7286 71.35288 3.499151 67.18002 6.812669 4.172867       7.658754 
1 1 1 49  3  3  o 82.72797 3.269922 826.1227       56.32219 821.5082       64.75901 840.4521       114.1174 82.33321 3.251044 83.12274 5.674528 -0.7895355     6.539844 
1 1 1 49  3  4  o 179.2451 3.391596 3883.761       125.6750 3864.093       144.0439 3946.460       257.1857 178.5199 3.335077 179.9702 5.906687 -1.450241      6.783192 
1 1 1 49  3  5  o 140.0015 3.147017 2465.731       92.82743 2559.105       108.6285 2212.969       178.7257 145.2694 3.090775 134.7336 5.482879 10.53577       6.294033 
1 1 1 49  3  6  o 39.66248 5.376921 222.4722       42.49129 246.1493       49.06612 151.4575       84.97526 44.95437 4.511360 34.37059 9.761800 10.58379       10.75384 
1 1 1 49  3  7  o 43.47715 5.641431 324.5667       47.45863 398.1266       54.69399 100.4045       95.47727 57.17086 3.954235 29.78344 10.56726 27.38742       11.28286 
1 1 1 49  3  8  o 75.36530 3.501180 691.8287       63.83930 691.8287       63.83930 0.000000       0.000000 75.36530 3.501180 ?        ?        ?              ?        
1 1 1 49  3  9  o 50.38019 4.750846 288.3322       48.00165 268.0302       53.62831 370.1368       107.6500 46.70623 4.745883 54.05415 8.231571 -7.347919      9.501693 
1 1 1 49  3  10 o 37.50520 6.047879 188.6774       47.33105 193.4946       53.79182 172.1594       99.60829 39.44518 5.636636 35.56521 10.70214 3.879967       12.09576 
1 1 1 49  3  11 o 24.84338 5.521129 80.19563       48.48930 137.7288       54.14680 -152.7662      108.9573 32.25855 7.127779 17.42821 8.433636 14.83034       11.04226 
1 1 1 49  3  12 o 31.02806 5.529193 162.1444       53.02454 225.4726       59.07172 -100.5235      120.3052 42.15019 5.792657 19.90594 9.419821 22.24425       11.05839 
1 1 1 49  3  13 o 61.63801 4.108958 488.1870       60.06793 622.7815       88.28477 372.1734       81.96465 69.89323 5.220936 53.38280 6.346335 16.51043       8.217916 
1 1 1 49  3  14 o 24.49574 6.403381 78.92708       54.00566 24.87046       78.15993 128.3144       74.70805 20.23629 8.738517 28.75520 9.362236 -8.518913      12.80676 
1 1 1 49  5  0  o 321.4982 4.976460 12576.21       334.6173 12572.38       386.1546 12587.75       670.4241 321.8936 4.958457 321.1027 8.629851 0.7908630      9.952921 
1 1 1 49  5  1  o 205.9585 3.652363 5147.611       156.2796 5145.142       179.7307 5155.265       316.4218 206.0507 3.605336 205.8664 6.352997 0.1843109      7.304726 
1 1 1 49  5  2  o 260.3703 4.239817 8284.016       231.0781 8320.280       267.0927 8176.086       460.7784 261.8866 4.215474 258.8540 7.357579 3.032623       8.479633 
1 1 1 49  5  3  o 150.6371 3.205023 2743.299       99.05147 2732.312       113.1627 2779.298       204.8305 150.1505 3.115117 151.1239 5.602209 -0.9734039     6.410047 
1 1 1 49  5  4  o 171.9183 3.354515 3674.786       120.6681 3759.684       140.1342 3431.291       237.3233 176.0757 3.289596 167.7609 5.847191 8.314789       6.709030 
1 1 1 49  5  5  o 104.2354 3.132216 1321.178       66.18135 1320.635       75.29544 1323.022       138.7730 104.3502 2.982448 104.1206 5.508913 0.2296143      6.264433 
1 1 1 49  5  6  o 78.07600 3.289755 721.8660       53.02840 702.8470       60.45033 785.3658       110.4565 76.06901 3.284647 80.08299 5.700970 -4.013985      6.579511 
1 1 1 49  5  7  o 40.16949 5.388350 176.7021       43.83260 153.8837       49.31317 262.5818       95.66783 35.38234 5.760684 44.95664 9.107787 -9.574295      10.77670 
1 1 1 49  5  8  o 55.89862 4.405686 382.4261       59.58226 382.4261       59.58226 0.000000       0.000000 55.89862 4.405686 ?        ?        ?              ?        
1 1 1 49  5  9  f 95.27322 3.589783 1155.121       65.97109 1180.745       74.19847 1058.418       144.1421 98.43944 3.115470 92.10700 6.468387 6.332436       7.179567 
1 1 1 49  5  10 o 40.15199 6.259654 190.9022       49.25553 176.1597       54.59193 255.4432       114.2250 37.52204 6.013671 42.78193 10.98038 -5.259892      12.51931 
1 1 1 49  5  11 o 25.06792 6.775777 69.02774       49.42974 76.17320       54.32226 34.63415       119.1795 24.38041 7.985561 25.75543 10.94876 -1.375013      13.55155 
1 1 1 49  5  12 o 20.36877 6.297648 12.15900       53.71105 36.48465       59.33014 -98.32243      126.4410 20.28915 8.069839 20.44839 9.670531 -0.1592350     12.59530 
1 1 1 49  5  13 o 28.27532 7.271426 115.0756       58.72107 124.8226       64.43524 67.31707       142.6305 29.39441 8.547928 27.15622 11.76552 2.238195       14.54285 
1 1 1 49  5  14 o 41.92962 7.985796 267.6489       65.37585 250.1521       70.30195 379.5360       177.7782 42.57042 6.825857 41.28881 14.43951 1.281601       15.97159 
1 1 1 49  7  0  o 164.0247 3.312241 3421.202       115.8645 3620.846       137.2803 2926.829       216.0264 172.8741 3.282284 155.1752 5.754162 17.69885       6.624483 
1 1 1 49  7  1  o 48.36922 4.763188 251.2447       46.59410 227.1676       51.96916 349.9108       105.2028 43.24682 4.966943 53.49162 8.129042 -10.24480      9.526376 
1 1 1 49  7  2  o 27.43003 6.273271 92.24210       43.48345 102.2650       48.82900 53.83700       95.58185 28.38935 7.121410 26.47071 10.32963 1.918642       12.54654 
1 1 1 49  7  3  o 75.73000 3.595468 672.7502       53.28032 656.0030       59.46014 740.9875       120.0231 73.54839 3.341569 77.91160 6.367376 -4.363213      7.190937 
1 1 1 49  7  4  o 128.2592 3.188774 2094.795       84.42811 2190.950       98.05462 1819.155       166.0167 134.4131 3.015255 122.1052 5.619730 12.30793       6.377548 
1 1 1 49  7  5  o 28.72088 5.277026 126.0306       42.95554 170.4014       48.00701 -52.14753      96.20187 37.34885 5.312820 20.09291 9.119318 17.25594       10.55405 
1 1 1 49  7  6  o 22.25086 5.911886 50.17418       40.42810 65.23351       45.17099 -10.45211      90.63318 23.05890 7.257346 21.44281 9.334479 1.616093       11.82377 
1 1 1 49  7  7  o 134.9142 3.258694 2308.049       90.60754 2388.371       104.8623 2071.386       179.9966 140.1434 3.092746 129.6850 5.736834 10.45844       6.517388 
1 1 1 49  7  8  o 49.30444 5.484281 300.0138       65.41962 300.0138       65.41962 0.000000       0.000000 49.30444 5.484281 ?        ?        ?              ?        
1 1 1 49  7  9  o 18.16425 5.770578 -9.610989      45.15598 9.367833       49.65567 -100.3212      108.5581 17.09274 7.155596 19.23577 9.055149 -2.143032      11.54116 
1 1 1 49  7  10 o 55.33956 4.905726 311.6007       51.46620 271.4622       55.96480 531.5884       131.0187 46.77058 4.945838 63.90855 8.473681 -17.13797      9.811452 
1 1 1 49  7  11 o 57.74733 5.638211 468.0620       57.24591 485.5756       63.87225 396.5497       129.0670 62.61230 4.216482 52.88236 10.45844 9.729939       11.27642 
1 1 1 49  7  12 o 92.08899 4.014339 981.5533       69.84496 923.9263       76.70568 1261.154       168.9599 86.37426 3.670632 97.80371 7.140458 -11.42945      8.028678 
1 1 1 49  7  13 o 47.79423 7.108220 291.3876       61.92239 261.9025       67.35552 452.3498       157.3743 44.47042 6.260365 51.11804 12.76381 -6.647621      14.21644 
1 1 1 49  9  0  o 87.31439 3.584846 981.1671       61.42662 1024.586       69.86614 833.3135       128.9270 91.94792 3.140671 82.68085 6.445205 9.267067       7.169693 
1 1 1 49  9  1  o 268.6223 4.345934 8860.324       245.5806 8927.319       284.8354 8666.271       484.7672 271.1339 4.342179 266.1106 7.529545 5.023285       8.691868 
1 1 1 49  9  2  o 60.81068 4.000800 443.3533       48.55132 437.8195       54.73655 463.7716       105.1419 60.06098 3.766888 61.56037 7.059472 -1.499386      8.001599 
1 1 1 49  9  3  o 218.6431 3.828460 5721.255       169.9405 5631.740       192.7799 6033.313       359.9400 215.3538 3.700045 221.9323 6.703588 -6.578552      7.656919 
1 1 1 49  9  4  o 52.28378 5.148746 333.8562       47.78774 329.8283       52.51809 353.2421       115.2168 52.05962 4.169707 52.50794 9.415513 -0.4483185     10.29749 
1 1 1 49  9  5  o 78.64572 3.746246 753.9427       63.58351 749.9141       74.57908 764.6639       121.6627 78.47459 3.928128 78.81686 6.380224 -0.3422775     7.492493 
1 1 1 49  9  6  o 82.10616 3.919171 900.7501       60.59462 951.6418       68.31626 713.0280       131.2075 88.45732 3.192185 75.75499 7.158879 12.70233       7.838341 
1 1 1 49  9  7  o 60.61714 4.696712 484.4964       53.08555 502.5555       59.38047 412.6115       118.4716 64.15607 3.825636 57.07821 8.579100 7.077858       9.393425 
1 1 1 49  9  8  o 33.85634 7.859356 150.6587       63.13842 150.6587       63.13842 0.000000       0.000000 33.85634 7.859356 ?        ?        ?              ?        
1 1 1 49  9  9  o 91.58768 3.864888 1073.669       66.15697 1092.341       73.63368 995.4789       150.6807 94.55327 3.218827 88.62208 7.027702 5.931190       7.729776 
1 1 1 49  9  10 o 97.60011 3.883974 1239.773       72.17736 1271.591       81.01297 1117.311       158.9358 101.8606 3.287350 93.33962 7.038065 8.520988       7.767949 
1 1 1 49  9  11 o 26.60085 7.394861 46.23592       52.65487 24.53989       57.05882 170.7317       136.6816 19.01347 7.786472 34.18823 12.57405 -15.17476      14.78972 
1 1 1 49  9  12 o 39.66647 7.266892 251.9093       59.46902 261.2704       64.31075 196.6687       156.2246 44.87865 5.922997 34.45429 13.27211 10.42436       14.53378 
1 1 1 49  9  13 o 30.92958 8.119234 67.28934       61.75716 18.53870       66.33441 384.4140       169.1857 18.73318 8.069969 43.12597 14.09125 -24.39279      16.23847 
1 1 1 49  11 0  o 79.79745 3.899912 811.4637       58.68760 834.5491       65.60445 718.9768       131.3118 82.95467 3.268813 76.64022 7.081815 6.314453       7.799824 
1 1 1 49  11 1  o 38.92487 6.040667 204.0991       45.62005 213.9297       50.69983 162.2844       104.5639 41.91239 4.999905 35.93734 10.99816 5.975048       12.08133 
1 1 1 49  11 2  o 92.26749 3.600105 1113.054       64.66580 1172.249       73.56025 911.7192       135.6636 98.29243 3.093291 86.24253 6.501889 12.04990       7.200209 
1 1 1 49  11 3  o 71.58884 3.842487 572.5696       52.75473 541.0956       58.13272 719.4527       125.5830 66.71811 3.601427 76.45958 6.788856 -9.741470      7.684975 
1 1 1 49  11 4  o 115.6977 3.445699 1688.618       77.80702 1727.188       87.82451 1547.888       167.7582 119.2412 3.044297 112.1542 6.182525 7.086998       6.891397 
1 1 1 49  11 5  o 94.22190 3.772712 1190.635       66.93515 1262.090       75.54199 929.5657       144.3937 101.8855 3.064599 86.55829 6.895047 15.32722       7.545425 
1 1 1 49  11 6  o 106.0215 3.572157 1468.445       74.01005 1537.857       84.19972 1232.600       155.2046 112.4084 3.096061 99.63465 6.438605 12.77378       7.144314 
1 1 1 49  11 7  o 53.41024 5.024304 271.5999       51.63996 225.0499       56.18045 525.1636       131.1200 42.65324 5.444160 64.16724 8.446044 -21.51400      10.04861 
1 1 1 49  11 8  o 18.43892 7.653636 15.05705       56.12417 15.05705       56.12417 0.000000       0.000000 18.43892 7.653636 ?        ?        ?              ?        
1 1 1 49  11 9  o 73.23883 4.413012 692.4310       59.29916 701.1079       65.63678 653.8965       138.3213 75.56965 3.590026 70.90802 8.062902 4.661629       8.826023 
1 1 1 49  11 10 o 40.31246 7.189848 167.7585       54.30932 134.4472       58.70334 365.6157       143.0680 31.41946 7.766778 49.20546 12.10177 -17.78601      14.37970 
1 1 1 49  11 11 o 32.84402 7.940580 102.1026       55.02113 74.18487       58.78176 299.5836       156.3381 23.82156 8.304558 41.86648 13.53682 -18.04492      15.88116 
1 1 1 49  11 12 o 32.14311 8.032785 73.02728       58.57424 28.55434       62.57172 388.1023       166.5471 19.31978 8.055421 44.96645 13.90010 -25.64667      16.06557 
1 1 1 49  13 0  o 50.28191 5.760777 307.8390       48.91893 303.3393       53.05452 333.3730       126.3826 49.91204 4.393541 50.65179 10.65096 -0.7397461     11.52155 
1 1 1 49  13 1  o 66.11400 4.720038 558.5662       53.66422 568.0305       58.46296 507.9120       135.2528 68.36158 3.534813 63.86641 8.753293 4.495167       9.440076 
1 1 1 49  13 2  o 51.01595 5.808234 322.1418       49.13546 319.0708       53.15928 340.1547       128.7444 51.15152 4.295545 50.88036 10.79308 0.2711601      11.61647 
1 1 1 49  13 3  o 94.36620 3.765973 1156.157       66.72261 1197.930       74.68888 991.0768       148.4769 99.27156 3.109774 89.46082 6.859994 9.810738       7.531946 
1 1 1 49  13 4  o 51.34388 5.104872 295.7246       50.17188 276.7861       55.20529 385.6038       120.2643 47.51626 4.802154 55.17150 9.009893 -7.655243      10.20974 
1 1 1 49  13 5  o 75.08939 4.179625 654.1296       59.62793 628.6521       65.76105 771.9215       141.3995 71.74432 3.788602 78.43446 7.451412 -6.690132      8.359249 
1 1 1 49  13 6  o 28.69871 6.406525 119.0596       51.31731 149.2814       55.33235 -66.80547      137.2202 33.91418 6.976471 23.48325 10.74724 10.43093       12.81305 
1 1 1 49  13 7  o 25.40175 7.140185 59.86188       54.17930 65.55357       59.16610 30.30339       134.8322 23.62115 8.325238 27.18236 11.60256 -3.561213      14.28037 
1 1 1 49  13 8  o 31.47093 7.684449 125.7439       54.34922 130.0429       57.25099 86.53183       172.9070 31.16787 7.649283 31.77398 13.33010 -0.6061096     15.36890 
1 1 1 49  13 9  o 27.81362 5.797092 122.7947       52.65529 173.1931       56.49661 -210.4700      145.2810 36.22612 6.692653 19.40113 9.467498 16.82499       11.59418 
1 1 1 49  13 10 o 63.41900 6.011972 542.4932       62.12874 538.9742       67.39588 562.4033       160.3107 65.69330 4.240431 61.14470 11.25140 4.548603       12.02394 
1 1 1 49  13 11 o 22.64735 7.060761 35.75491       57.30850 41.78380       61.17868 -7.424152      163.7261 20.38880 8.166215 24.90589 11.52086 -4.517086      14.12152 
1 1 1 49  13 12 o 53.83583 6.941853 405.3834       90.41679 405.3834       90.41679 0.000000       0.000000 53.83583 6.941853 ?        ?        ?              ?        
1 1 1 49  15 0  o 21.46542 5.628912 34.20992       41.91232 81.01166       60.57064 -8.785410      58.05529 25.81599 8.431193 17.11485 7.460135 8.701147       11.25782 
1 1 1 49  15 1  o 103.2440 2.805258 1299.841       69.98515 1389.482       100.0555 1213.974       97.92673 106.7479 3.874175 99.74014 4.058158 7.007751       5.610515 
1 1 1 49  15 2  o 20.34203 5.650385 28.48245       40.38214 50.76040       63.43354 13.30167       52.36345 22.73732 8.526714 17.94674 7.416371 4.790575       11.30077 
1 1 1 49  15 3  o 43.84385 6.551878 305.2738       49.76093 329.5762       53.82375 162.2844       130.5572 51.88424 4.287817 35.80347 12.38237 16.08077       13.10376 
1 1 1 49  15 4  o 42.93915 6.817290 207.5228       52.11343 192.5756       56.12014 301.1303       140.4408 39.39289 5.888418 46.48541 12.29749 -7.092522      13.63458 
1 1 1 49  15 5  o 53.37170 6.217309 314.9228       56.01664 291.8335       60.15049 465.7942       153.7578 48.56989 5.118818 58.17350 11.33214 -9.603607      12.43462 
1 1 1 49  15 6  o 34.39405 6.544129 190.6138       54.78454 221.1355       59.16106 6.918501       145.1380 42.03593 5.817185 26.75218 11.72445 15.28375       13.08826 
1 1 1 49  15 7  o 32.49979 7.560987 142.8826       57.73265 148.7258       62.15530 106.1511       155.8371 33.23450 7.854461 31.76508 12.92213 1.469427       15.12197 
1 1 1 49  15 8  f 25.46352 7.240728 69.97119       56.47050 85.73350       59.67117 -65.24688      174.7721 25.48088 8.370625 25.44617 11.81716 0.3470612E-01  14.48146 
1 1 1 49  15 9  o 20.35262 6.638124 1.341011       52.37352 14.46901       55.00706 -125.9964      171.3157 17.77199 7.490449 22.93325 10.96138 -5.161255      13.27625 
1 1 1 49  15 10 o 21.11018 9.032486 28.35099       82.07159 28.35099       82.07159 0.000000       0.000000 21.11018 9.032486 ?        ?        ?              ?        
1 1 1 49  17 0  o 26.72223 6.135807 88.53326       45.60593 76.51902       64.38166 100.6336       64.61200 25.37765 8.699878 28.06681 8.654745 -2.689167      12.27161 
1 1 1 49  17 1  o 47.72248 4.343415 283.0098       50.09934 285.1607       69.50407 280.6836       72.27976 47.94151 5.992336 47.50344 6.289112 0.4380684      8.686831 
1 1 1 49  17 2  o 57.59748 3.984757 411.3572       55.46651 409.9753       80.24863 412.6212       76.75119 57.47063 5.771509 57.72433 5.495711 -0.2537079     7.969514 
1 1 1 49  17 3  o 23.89778 6.294547 59.76011       48.76169 71.38303       71.18165 49.48322       66.93317 25.09141 9.097394 22.70415 8.701879 2.387260       12.58909 
1 1 1 49  17 4  o 49.37291 4.455230 307.3791       52.98527 275.7725       74.99282 338.8841       74.87231 46.72961 6.633232 52.01620 5.949498 -5.286583      8.910460 
1 1 1 49  17 5  o 81.51108 5.006692 814.8327       67.16484 801.9822       72.07053 899.7026       185.2145 80.79211 3.687114 82.23006 9.309837 -1.437950      10.01338 
1 1 1 49  17 6  o 47.07996 7.174887 305.7470       58.55549 304.3252       63.21614 314.3367       155.3815 49.23209 5.307346 44.92784 13.33222 4.304249       14.34977 
1 1 1 49  17 7  o 79.69910 5.113468 800.7355       98.59871 800.7355       98.59871 0.000000       0.000000 79.69910 5.113468 ?        ?        ?              ?        
1 1 1 49  19 0  o 24.62576 5.768125 53.18739       48.50599 -34.33414      68.78480 139.7638       68.41238 16.92209 7.692104 32.32944 8.597475 -15.40735      11.53625 
1 1 1 49  19 1  o 33.68212 6.034445 149.8710       50.99508 213.0243       74.67826 94.69264       69.80408 40.11677 7.975122 27.24747 9.058450 12.86930       12.06889 
1 1 1 49  19 2  o 49.19110 4.612014 312.6294       53.58206 260.9042       80.06121 354.5946       72.11340 45.14069 7.330806 53.24152 5.598392 -8.100830      9.224029 
1 1 1 49  19 3  o 20.31642 5.987209 21.09427       48.21769 24.35847       75.09291 18.80427       62.89689 21.20294 8.831293 19.42990 8.086714 1.773045       11.97442 
1 1 1 49  19 4  o 41.15522 6.527887 153.5257       66.63116 477.5729       133.7611 46.57941       76.84376 59.41771 9.304899 22.89272 9.158170 36.52499       13.05577 
1 1 1 50  0  0  o 142.3001 2.712398 2457.012       131.8445 2457.012       131.8445 2457.012       131.8445 142.3001 3.835909 142.3001 3.835909 0.000000       0.000000 
1 1 1 50  0  1  o 329.4618 4.394523 13177.92       494.9774 13177.92       494.9774 13177.92       494.9774 329.4618 6.214794 329.4618 6.214794 0.000000       0.000000 
1 1 1 50  0  2  o 314.2634 4.229288 11992.64       454.3843 11992.64       454.3843 11992.64       454.3843 314.2634 5.981116 314.2634 5.981116 0.000000       0.000000 
1 1 1 50  0  3  o 128.5089 2.666869 2005.518       117.0321 2005.518       117.0321 2005.518       117.0321 128.5089 3.771523 128.5089 3.771523 0.000000       0.000000 
1 1 1 50  0  4  o 79.59959 2.930705 774.1304       79.32381 774.1304       79.32381 774.1304       79.32381 79.59959 4.144643 79.59959 4.144643 0.000000       0.000000 
1 1 1 50  0  5  o 16.69091 6.463719 47.66532       52.86814 47.66532       52.86814 47.66532       52.86814 16.69091 9.141080 16.69091 9.141080 0.000000       0.000000 
1 1 1 50  0  6  o 29.52906 5.572435 126.4738       48.64813 126.4738       48.64813 126.4738       48.64813 29.52906 7.880613 29.52906 7.880613 0.000000       0.000000 
1 1 1 50  0  7  o 13.17267 5.803079 13.97037       53.05232 13.97037       53.05232 13.97037       53.05232 13.17267 8.206793 13.17267 8.206793 0.000000       0.000000 
1 1 1 50  0  8  o 125.1003 2.731300 1906.921       116.6559 1906.921       116.6559 1906.921       116.6559 125.1003 3.862642 125.1003 3.862642 0.000000       0.000000 
1 1 1 50  0  9  o 11.57178 5.463448 -18.04062      59.24451 -18.04062      59.24451 -18.04062      59.24451 11.57178 7.726481 11.57178 7.726481 0.000000       0.000000 
1 1 1 50  0  10 o 19.51529 7.178311 70.71004       62.34487 70.71004       62.34487 70.71004       62.34487 19.51529 10.15166 19.51529 10.15166 0.000000       0.000000 
1 1 1 50  0  11 o 10.11147 5.005028 -62.10127      64.71825 -62.10127      64.71825 -62.10127      64.71825 10.11147 7.078179 10.11147 7.078179 0.000000       0.000000 
1 1 1 50  0  12 o 111.5579 2.849719 1530.208       108.4506 1530.208       108.4506 1530.208       108.4506 111.5579 4.030111 111.5579 4.030111 0.000000       0.000000 
1 1 1 50  0  13 o 33.41787 7.975282 188.8590       81.55352 188.8590       81.55352 188.8590       81.55352 33.41787 11.27875 33.41787 11.27875 0.000000       0.000000 
1 1 1 50  0  14 o 14.85499 6.720959 21.60143       76.68275 21.60143       76.68275 21.60143       76.68275 14.85499 9.504871 14.85499 9.504871 0.000000       0.000000 
1 1 1 50  2  0  o 243.8297 4.006466 7340.749       208.3453 7481.790       244.1203 6962.522       399.7656 248.4450 4.061358 239.2144 6.907420 9.230606       8.012932 
1 1 1 50  2  1  o 182.3474 3.409821 4062.003       129.9412 4089.150       150.1363 3980.964       259.4007 183.7153 3.377832 180.9794 5.924337 2.735947       6.819642 
1 1 1 50  2  2  o 133.8607 3.091437 2179.702       86.60830 2185.282       100.0342 2162.998       173.0737 134.3052 3.078600 133.4162 5.361917 0.8890228      6.182874 
1 1 1 50  2  3  o 118.9592 3.060159 1689.259       74.92670 1664.040       85.49663 1772.754       155.5665 117.1852 3.015602 120.7332 5.325828 -3.547981      6.120318 
1 1 1 50  2  4  o 94.94809 3.067621 1079.042       61.11121 1063.099       70.37902 1127.900       123.2051 93.64256 3.106473 96.25362 5.290654 -2.611061      6.135242 
1 1 1 50  2  5  o 147.0008 3.101272 2673.179       96.15009 2721.812       111.9659 2536.585       187.6449 149.7947 3.089492 144.2069 5.378344 5.587830       6.202543 
1 1 1 50  2  6  o 107.0062 3.060290 1400.667       67.58928 1406.063       77.59602 1383.700       137.5972 107.6321 2.979856 106.3804 5.346209 1.251732       6.120579 
1 1 1 50  2  7  o 83.43811 3.356458 864.3077       57.58297 876.4787       66.18732 826.4128       116.7890 84.90755 3.222005 81.96868 5.889136 2.938866       6.712915 
1 1 1 50  2  8  o 72.93460 4.026526 654.4476       57.42276 653.3200       64.47232 658.7745       126.2942 73.19728 3.640626 72.67193 7.183140 0.5253525      8.053052 
1 1 1 50  2  9  o 61.75607 4.221162 452.9322       51.85108 437.8649       58.16562 511.2433       114.4258 59.80305 4.020135 63.70908 7.423701 -3.906036      8.442324 
1 1 1 50  2  10 o 19.88711 6.160653 -25.57804      45.14708 -45.11497      50.12399 58.40571       103.9238 13.36730 6.247858 26.40691 10.61974 -13.03960      12.32131 
1 1 1 50  2  11 o 28.64268 5.948789 107.4906       45.15366 147.1991       66.26391 73.06968       61.69450 32.91568 8.317512 24.36968 8.507134 8.545994       11.89758 
1 1 1 50  2  12 o 48.77135 4.835862 317.5015       54.03437 385.7555       75.19151 244.6126       77.70261 55.10197 5.640264 42.44075 7.856822 12.66122       9.671723 
1 1 1 50  2  13 o 29.38491 6.749423 127.2264       55.81039 151.8621       77.84684 101.1731       80.05511 31.91507 9.428432 26.85476 9.660409 5.060314       13.49885 
1 1 1 50  2  14 o 37.75990 6.086297 215.5920       57.29093 302.4736       83.44095 138.1038       78.80122 46.23531 7.459388 29.28448 9.619228 16.95082       12.17259 
1 1 1 50  4  0  o 216.2170 3.732546 5767.413       171.0462 5869.823       199.6492 5484.831       331.6401 220.0782 3.749628 212.3558 6.455066 7.722412       7.465091 
1 1 1 50  4  1  o 257.0267 4.173861 8134.339       227.5507 8248.154       265.4753 7819.155       441.7804 260.7814 4.207705 253.2721 7.209693 7.509277       8.347721 
1 1 1 50  4  2  o 173.9804 3.365349 3624.603       120.2886 3579.577       137.2288 3773.944       249.9236 171.8577 3.300455 176.1031 5.865943 -4.245392      6.730698 
1 1 1 50  4  3  o 52.34545 4.581614 338.0473       46.89237 340.7380       52.74431 327.9000       102.4279 52.98122 4.114824 51.70968 8.187366 1.271545       9.163227 
1 1 1 50  4  4  o 183.1335 3.409251 3982.677       127.6189 3900.772       145.0038 4264.128       268.7981 179.3264 3.342204 186.9405 5.943201 -7.614105      6.818502 
1 1 1 50  4  5  o 99.02832 3.087198 1178.543       62.90530 1165.349       71.84369 1221.892       130.2218 98.00868 3.029855 100.0480 5.379885 -2.039284      6.174397 
1 1 1 50  4  6  o 57.19077 4.217688 417.0596       48.40744 430.6908       55.37301 372.8733       99.69516 59.48941 3.847301 54.89213 7.506919 4.597282       8.435375 
1 1 1 50  4  7  o 50.51965 4.730914 308.7623       47.53677 303.4580       53.51211 328.6139       103.5224 49.83307 4.438458 51.20624 8.356211 -1.373169      9.461827 
1 1 1 50  4  8  o 20.82554 6.492024 1.285544       46.86682 2.517619       50.70697 -5.936943      122.7701 16.76322 7.134246 24.88785 10.84841 -8.124628      12.98405 
1 1 1 50  4  9  o 76.47643 4.003047 758.2426       58.05374 780.7136       65.10451 671.0292       128.2601 79.97916 3.364588 72.97370 7.264785 7.005455       8.006095 
1 1 1 50  4  10 o 21.03113 6.362031 -7.995520      46.43798 -26.64154      51.60303 71.40988       106.4896 14.67780 6.668294 27.38445 10.83677 -12.70665      12.72406 
1 1 1 50  4  11 o 28.00310 6.986447 89.55161       48.41877 82.81109       53.28584 121.4753       115.9636 25.11384 7.878783 30.89235 11.53978 -5.778503      13.97289 
1 1 1 50  4  12 o 32.32623 7.485397 133.6228       55.56190 122.6111       61.04480 186.7936       134.1402 29.68394 8.219249 34.96851 12.51274 -5.284563      14.97079 
1 1 1 50  4  13 o 17.87845 6.195231 -85.75434      56.33138 -94.66817      61.09441 -35.18144      145.5219 12.65730 6.168413 23.09960 10.74589 -10.44230      12.39046 
1 1 1 50  4  14 o 33.81210 6.096668 166.4903       56.96386 309.1665       87.33328 60.84362       75.15052 45.47747 8.240893 22.14673 8.986940 23.33074       12.19334 
1 1 1 50  6  0  o 98.80914 3.201882 1219.183       65.30186 1252.913       75.42934 1118.263       130.4728 101.6992 3.065636 95.91911 5.622283 5.780067       6.403764 
1 1 1 50  6  1  o 43.34460 5.082397 189.3547       45.56969 153.1359       51.19441 327.5431       99.99792 34.93762 6.287793 51.75157 7.986659 -16.81395      10.16479 
1 1 1 50  6  2  o 185.5199 3.490976 4110.790       131.6795 4050.742       149.4774 4318.858       278.2491 182.7846 3.380132 188.2552 6.109203 -5.470535      6.981952 
1 1 1 50  6  3  o 25.52966 6.093292 77.14571       40.04354 86.15294       44.41860 38.06068       92.52830 26.08365 6.923438 24.97568 10.02890 1.107964       12.18658 
1 1 1 50  6  4  o 128.6686 3.121933 2091.985       83.27931 2172.537       96.70530 1860.797       163.8312 133.8421 2.986449 123.4950 5.483337 10.34711       6.243866 
1 1 1 50  6  5  o 87.14929 3.301319 929.2949       57.18848 931.7886       64.62043 920.2856       122.8252 87.61697 3.048451 86.68160 5.856771 0.9353714      6.602637 
1 1 1 50  6  6  o 168.2163 3.329779 3515.813       116.9218 3575.224       135.4440 3342.058       231.6298 171.4946 3.264428 164.9381 5.804585 6.556503       6.659557 
1 1 1 50  6  7  o 51.55086 4.413399 302.0583       46.95549 280.0609       53.05548 381.5586       100.8622 47.82991 4.584884 55.27180 7.542625 -7.441887      8.826797 
1 1 1 50  6  8  f 52.34784 4.416680 335.9861       55.93671 335.9861       55.93671 0.000000       0.000000 52.34784 4.416680 ?        ?        ?              ?        
1 1 1 50  6  9  o 50.86178 6.035886 358.8082       50.81063 368.8781       55.43459 305.8893       127.0789 54.80808 4.180556 46.91547 11.32478 7.892605       12.07177 
1 1 1 50  6  10 o 21.81041 6.067117 42.56347       47.98470 74.75902       52.11051 -136.9423      123.0457 24.20387 7.814219 19.41694 9.283191 4.786932       12.13423 
1 1 1 50  6  11 o 40.75648 6.137290 316.3012       55.59015 377.2869       61.37252 37.64426       131.1883 55.03753 4.609064 26.47543 11.37637 28.56209       12.27458 
1 1 1 50  6  12 f 35.46593 6.722793 208.4763       56.18026 231.3506       61.12228 83.93813       142.6189 42.36872 5.962823 28.56315 12.05108 13.80557       13.44559 
1 1 1 50  6  13 o 64.52141 6.114274 581.3870       68.89110 573.0067       75.98131 620.1071       163.3231 66.98501 4.688424 62.05780 11.29407 4.927208       12.22855 
1 1 1 50  8  0  o 73.58186 4.004743 705.4590       55.01296 735.5895       61.56522 586.0797       122.5452 77.90237 3.266498 69.26134 7.313128 8.641037       8.009485 
1 1 1 50  8  1  o 90.56804 3.445993 976.5590       60.27819 963.2972       67.14283 1031.648       136.8455 89.14732 3.113071 91.98875 6.148842 -2.841431      6.891986 
1 1 1 50  8  2  o 81.32239 3.777829 870.5662       57.60915 914.4427       64.70531 702.7960       126.5263 86.84743 3.079503 75.79735 6.899610 11.05008       7.555657 
1 1 1 50  8  3  o 118.4590 3.219505 1772.354       77.51931 1831.848       89.10474 1587.151       157.2120 122.9004 2.996712 114.0176 5.699171 8.882889       6.439009 
1 1 1 50  8  4  o 107.6369 3.126342 1395.688       68.07956 1383.079       77.23327 1439.619       144.1686 106.7588 2.990189 108.5150 5.491342 -1.756256      6.252684 
1 1 1 50  8  5  o 17.48484 5.723874 -52.23448      43.46564 -62.74892      48.28218 -7.282570      99.83153 12.27323 5.853135 22.69644 9.838280 -10.42321      11.44775 
1 1 1 50  8  6  o 110.5085 3.303574 1588.727       73.70757 1677.904       85.08819 1320.642       147.5295 117.4912 2.993379 103.5259 5.890168 13.96530       6.607147 
1 1 1 50  8  7  o 30.77966 6.635996 114.8554       45.08727 112.7720       49.63461 124.6877       107.8288 29.49331 7.051468 32.06599 11.24378 -2.572680      13.27199 
1 1 1 50  8  8  o 97.10165 3.216099 1149.886       75.55415 1149.886       75.55415 0.000000       0.000000 97.10165 3.216099 ?        ?        ?              ?        
1 1 1 50  8  9  o 64.18865 4.825327 534.8993       55.60543 542.5123       61.23426 499.1077       132.7722 66.49554 3.806270 61.88177 8.868340 4.613770       9.650655 
1 1 1 50  8  10 o 49.59323 6.431317 400.5396       55.92942 442.0846       62.31958 228.5544       126.7974 59.77047 4.309585 39.41599 12.11919 20.35448       12.86263 
1 1 1 50  8  11 o 52.92267 5.886827 333.4034       55.19983 310.2829       60.10125 458.0607       139.5544 49.67319 5.001027 56.17215 10.65874 -6.498962      11.77365 
1 1 1 50  8  12 o 28.73519 7.633449 94.52533       55.40841 80.24089       60.02600 176.7995       144.0588 24.33611 8.397177 33.13427 12.75012 -8.798162      15.26690 
1 1 1 50  8  13 o 18.10127 6.134790 -37.93449      59.83768 -15.82030      64.31171 -180.4878      163.2838 16.34336 7.432412 19.85919 9.762267 -3.515829      12.26958 
1 1 1 50  10 0  o 112.3261 3.410944 1523.571       73.34944 1516.619       81.64928 1552.647       166.9746 111.8514 3.017232 112.8008 6.118370 -0.9494095     6.821887 
1 1 1 50  10 1  o 140.0451 3.278262 2404.460       92.73145 2419.889       105.5296 2352.171       194.2715 141.2588 3.087852 138.8315 5.783873 2.427231       6.556525 
1 1 1 50  10 2  o 105.7567 3.372811 1344.220       68.98614 1332.219       76.97194 1393.218       155.5324 104.7931 3.035969 106.7203 6.023812 -1.927216      6.745622 
1 1 1 50  10 3  f 181.5546 3.533072 4018.757       130.6066 4014.044       148.8763 4034.503       272.1114 181.7746 3.385244 181.3345 6.202461 0.4401703      7.066144 
1 1 1 50  10 4  o 150.9950 3.274882 2865.532       102.8531 2949.368       119.3403 2623.438       202.7984 155.7962 3.166126 146.1938 5.733677 9.602325       6.549764 
1 1 1 50  10 5  o 68.66770 4.082528 560.4917       52.34800 549.2982       57.66135 612.9685       124.8492 67.15974 3.548735 70.17567 7.353545 -3.015930      8.165056 
1 1 1 50  10 6  o 88.13064 3.789905 1008.174       63.57263 1044.088       71.46490 871.9810       139.1665 92.60510 3.189743 83.65617 6.875977 8.948929       7.579810 
1 1 1 50  10 7  o 112.2433 3.497170 1597.193       77.50558 1632.675       87.87715 1472.933       164.4530 115.7431 3.138185 108.7435 6.250807 6.999588       6.994340 
1 1 1 50  10 8  o 18.35155 5.943463 -18.21893      47.70936 -1.583830      51.98087 -107.1386      120.1794 16.50799 7.127456 20.19511 9.513063 -3.687122      11.88693 
1 1 1 50  10 9  o 20.01792 6.380222 -11.98678      47.32414 -15.96803      51.40893 10.12136       121.1448 15.28721 6.824188 24.74864 10.78237 -9.461426      12.76044 
1 1 1 50  10 10 o 30.18447 6.915406 132.2718       53.33839 147.0195       58.02455 51.87389       135.4792 32.99616 7.445444 27.37278 11.65576 5.623386       13.83081 
1 1 1 50  10 11 o 39.62035 7.433696 223.1082       56.60432 219.9771       60.64953 244.2594       157.6315 41.23812 6.078918 38.00259 13.56783 3.235531       14.86739 
1 1 1 50  10 12 o 48.89423 7.168899 267.9787       61.24735 224.8017       65.62403 559.6669       170.5674 40.88800 6.633836 56.90047 12.71081 -16.01247      14.33780 
1 1 1 50  12 0  o 112.5716 3.466940 1502.102       73.79189 1477.056       81.59929 1614.515       172.8737 110.3333 3.056875 114.8099 6.223681 -4.476593      6.933880 
1 1 1 50  12 1  o 154.3882 3.368340 2939.033       105.6629 2966.607       120.6556 2848.305       218.8620 156.3096 3.190505 152.4667 5.933256 3.842896       6.736679 
1 1 1 50  12 2  o 90.77446 3.812459 1092.033       65.73594 1152.108       74.25057 874.2415       141.3763 97.38758 3.151330 84.16133 6.943234 13.22625       7.624918 
1 1 1 50  12 3  o 79.46962 4.044094 794.4340       59.10234 804.8877       65.35768 747.5313       138.4398 81.35168 3.320686 77.58755 7.375081 3.764137       8.088187 
1 1 1 50  12 4  o 93.89265 3.688768 1059.852       65.32672 1046.298       72.28199 1120.286       152.6304 92.72967 3.221878 95.05563 6.636832 -2.325958      7.377535 
1 1 1 50  12 5  o 48.10990 6.088857 313.4979       51.43039 321.7179       56.64985 274.9554       122.6684 51.22095 4.571395 44.99885 11.28712 6.222107       12.17771 
1 1 1 50  12 6  o 73.47685 4.711171 755.1517       60.89642 801.5360       67.64719 556.9304       139.8426 81.02874 3.450709 65.92496 8.767732 15.10378       9.422341 
1 1 1 50  12 7  o 50.58149 6.690392 395.9235       56.53006 422.6041       61.80638 259.3694       139.8261 58.59035 4.360184 42.57263 12.65046 16.01773       13.38078 
1 1 1 50  12 8  o 88.71294 4.459658 964.0406       66.82951 951.7861       72.08385 1039.024       178.3098 88.13277 3.380635 89.29311 8.253819 -1.160339      8.919316 
1 1 1 50  12 9  o 41.19078 6.739202 269.1163       53.35574 287.7586       58.10356 168.8281       134.7654 47.94173 5.009412 34.43983 12.51292 13.50189       13.47840 
1 1 1 50  12 10 o 22.38209 6.665190 41.95964       53.12343 61.44610       56.75460 -95.87151      150.9414 22.41325 8.123787 22.35093 10.56897 0.6232262E-01  13.33038 
1 1 1 50  12 11 f 50.51277 7.515113 429.2866       62.73738 442.4585       67.30773 342.0583       173.2085 58.96447 4.718155 42.06107 14.27048 16.90340       15.03023 
1 1 1 50  12 12 o 20.63543 8.984050 29.72356       83.97516 29.72356       83.97516 0.000000       0.000000 20.63543 8.984050 ?        ?        ?              ?        
1 1 1 50  14 0  o 21.16592 6.459297 8.709235       53.67532 30.87591       59.59373 -86.55563      123.5426 20.54972 8.114777 21.78211 10.05189 -1.232388      12.91859 
1 1 1 50  14 1  o 30.09075 5.641471 145.6434       47.65468 188.0908       51.24142 -126.1154      129.6544 39.14427 5.410665 21.03723 9.900985 18.10705       11.28294 
1 1 1 50  14 2  o 40.64174 6.723681 170.6761       48.76170 151.0808       52.40829 296.9661       133.0482 34.39492 6.536977 46.88855 11.75157 -12.49362      13.44736 
1 1 1 50  14 3  o 18.38708 6.106984 -37.65488      45.30848 -34.90874      48.54855 -56.19274      126.1376 13.75744 6.331553 23.01671 10.44473 -9.259265      12.21397 
1 1 1 50  14 4  o 72.53095 4.656461 672.6777       59.49436 681.0081       65.13020 630.6960       146.2101 74.68517 3.604506 70.37674 8.587087 4.308426       9.312922 
1 1 1 50  14 5  o 84.85219 4.151179 872.8315       65.12868 860.2755       71.67499 932.3022       155.9887 83.89805 3.531128 85.80632 7.514006 -1.908272      8.302358 
1 1 1 50  14 6  f 38.81234 7.203591 211.7752       53.10646 218.0736       56.63141 165.8537       152.9148 41.82153 5.596998 35.80314 13.27556 6.018387       14.40718 
1 1 1 50  14 7  o 34.18446 7.970916 119.4886       65.58035 81.22531       73.44096 270.0773       145.6945 25.86725 9.258266 42.50166 12.97792 -16.63441      15.94183 
1 1 1 50  14 8  o 23.30200 7.290706 16.52024       52.75771 13.37247       55.79635 43.08150       162.0797 17.99920 7.562847 28.60481 12.46679 -10.60561      14.58141 
1 1 1 50  14 9  o 48.33748 7.403109 412.6275       59.37730 435.7577       63.15899 236.6449       174.2130 59.00625 4.424201 37.66870 14.12977 21.33755       14.80622 
1 1 1 50  14 10 o 27.39135 9.890899 108.2980       84.01643 108.2980       84.01643 0.000000       0.000000 27.39135 9.890899 ?        ?        ?              ?        
1 1 1 50  16 0  o 139.6737 2.812174 2372.828       94.80408 2234.137       128.7782 2536.931       140.0801 135.2511 3.935494 144.0962 4.018107 -8.845093      5.624349 
1 1 1 50  16 1  o 96.90769 2.903673 1143.082       67.84889 1022.028       92.66134 1283.007       99.62199 91.38152 4.191195 102.4339 4.019845 -11.05234      5.807346 
1 1 1 50  16 2  o 42.31420 5.214316 239.3859       50.03927 150.7796       72.37392 320.5341       69.26111 33.74107 8.781101 50.88733 5.625711 -17.14626      10.42863 
1 1 1 50  16 3  o 40.65693 7.287705 174.0475       61.92576 130.5985       69.30508 346.1035       137.9146 31.38376 8.781912 49.93010 11.63274 -18.54634      14.57541 
1 1 1 50  16 4  o 90.54102 4.199806 1029.829       68.73109 1032.836       75.53156 1015.348       165.7429 91.90480 3.396940 89.17725 7.682076 2.727554       8.399612 
1 1 1 50  16 5  o 37.01768 7.351590 195.8594       56.08824 204.7245       59.77208 130.5175       162.2752 40.32333 6.126884 33.71204 13.36581 6.611290       14.70318 
1 1 1 50  16 6  o 60.11774 5.772982 390.8514       59.88380 358.8987       64.08562 610.8269       168.1489 53.64289 4.937943 66.59258 10.43676 -12.94969      11.54596 
1 1 1 50  16 7  o 21.87579 6.437005 33.11167       55.86736 70.50547       59.74649 -227.1267      157.6153 23.74230 8.366184 20.00928 9.785044 3.733021       12.87401 
1 1 1 50  16 8  o 48.32836 7.229198 310.1740       84.52681 310.1740       84.52681 0.000000       0.000000 48.32836 7.229198 ?        ?        ?              ?        
1 1 1 50  18 0  o 72.64008 3.327909 652.6885       58.24514 703.4520       81.22234 598.9481       83.56997 75.63242 4.438796 69.64772 4.959536 5.984703       6.655818 
1 1 1 50  18 1  o 26.15737 6.081314 76.01682       47.92137 136.2640       70.88030 25.29194       65.03807 31.91642 8.863552 20.39832 8.328682 11.51809       12.16263 
1 1 1 50  18 2  o 95.21914 4.139543 1115.627       95.36279 1115.627       95.36279 0.000000       0.000000 95.21914 4.139543 ?        ?        ?              ?        
1 1 1 50  18 3  o 52.57409 4.273030 347.1834       54.27620 372.6479       78.85012 324.2527       74.82429 54.42018 5.988804 50.72800 6.096668 3.692177       8.546060 
1 1 1 50  18 4  o 54.74834 4.248948 377.8778       55.94837 390.9176       84.34194 367.6307       74.76653 55.47688 6.283900 54.01979 5.720737 1.457088       8.497896 
1 1 1 50  18 5  o 47.04746 6.116112 264.1331       58.67762 381.7966       125.2588 231.0529       66.41576 51.66602 10.38104 42.42891 6.470040 9.237110       12.23222 
1 1 1 50  20 0  o 111.3419 2.922945 1531.061       78.64047 1555.536       109.0996 1504.593       113.4571 112.3315 4.014389 110.3523 4.249600 1.979210       5.845889 
1 1 1 51  1  0  o 93.45238 3.364336 1160.420       64.28922 1272.119       75.51546 866.2701       122.5450 102.4845 3.045618 84.42027 5.999938 18.06424       6.728673 
1 1 1 51  1  1  o 184.1605 3.403904 4167.757       133.0871 4224.595       155.3141 4010.708       258.1711 186.7101 3.438276 181.6108 5.875755 5.099350       6.807807 
1 1 1 51  1  2  o 92.34735 3.259509 1008.591       62.47523 984.1257       71.41209 1088.400       128.9786 90.10960 3.275657 94.58510 5.636281 -4.475502      6.519017 
1 1 1 51  1  3  o 136.1233 3.076507 2290.022       87.92286 2331.922       102.1382 2170.137       172.7686 138.7073 3.043592 133.5393 5.347535 5.168060       6.153014 
1 1 1 51  1  4  o 142.6342 3.073555 2526.288       93.34868 2588.871       109.4530 2359.310       178.7840 146.1130 3.096254 139.1555 5.310385 6.957504       6.147111 
1 1 1 51  1  5  o 143.1340 3.096493 2465.538       91.43703 2439.985       104.5773 2548.483       188.4143 141.8073 3.048152 144.4608 5.390904 -2.653549      6.192986 
1 1 1 51  1  6  o 55.10852 3.956378 351.3613       46.11311 331.0447       52.85957 416.0619       94.33054 52.11985 4.191970 58.09719 6.711118 -5.977345      7.912757 
1 1 1 51  1  7  o 22.51291 6.045636 46.96754       41.28494 47.63797       47.83179 45.00892       81.75464 20.96214 7.474973 24.06367 9.503875 -3.101532      12.09127 
1 1 1 51  1  8  o 65.86670 4.006865 529.7192       52.57678 525.0732       59.33561 546.6984       113.4318 65.58414 3.739506 66.14926 7.087733 -0.5651245     8.013730 
1 1 1 51  1  9  o 37.56174 5.080910 180.5658       45.16133 156.2999       62.67971 206.7627       65.12604 34.49904 7.704285 40.62445 6.626204 -6.125412      10.16182 
1 1 1 51  1  10 o 19.10637 5.672213 13.47533       44.33686 11.17215       62.34425 15.83212       63.06554 18.88308 7.967398 19.32965 8.075679 -0.4465771     11.34443 
1 1 1 51  1  11 o 52.38012 4.098586 349.2960       51.11921 279.7635       72.02185 419.8873       72.56821 46.86004 6.352715 57.90020 5.180409 -11.04016      8.197172 
1 1 1 51  1  12 o 39.78676 5.609640 218.6507       52.76956 148.0844       73.94637 291.8780       75.32765 32.18898 9.093809 47.38454 6.570758 -15.19556      11.21928 
1 1 1 51  1  13 o 26.90286 6.828062 102.5353       57.78859 71.14216       81.54588 134.2063       81.90611 24.10550 9.500834 29.70022 9.809377 -5.594721      13.65612 
1 1 1 51  3  0  o 208.3765 3.627870 5316.102       159.6170 5363.319       185.5017 5181.440       313.2718 210.3649 3.644788 206.3880 6.273857 3.976929       7.255740 
1 1 1 51  3  1  o 232.0246 3.896673 6657.044       192.2767 6786.648       224.9683 6305.771       370.3693 236.5650 3.930686 227.4841 6.729483 9.080933       7.793345 
1 1 1 51  3  2  o 174.7051 3.354444 3731.326       122.4841 3754.917       141.5230 3660.916       244.4994 176.0000 3.323624 173.4101 5.827753 2.589935       6.708888 
1 1 1 51  3  3  o 171.2314 3.292985 3579.053       117.7158 3594.149       135.8694 3533.611       235.7288 172.1672 3.261887 170.2957 5.721459 1.871552       6.585969 
1 1 1 51  3  4  o 103.6807 3.082471 1341.123       66.51375 1375.975       77.10313 1239.738       131.5059 106.5229 2.991759 100.8384 5.390351 5.684502       6.164941 
1 1 1 51  3  5  o 33.04403 5.983099 128.3087       41.40025 119.4022       46.59718 161.6895       90.20988 30.63210 6.489342 35.45596 10.05377 -4.823851      11.96620 
1 1 1 51  3  6  o 74.15698 3.435516 663.0888       52.15073 655.2101       59.42998 689.4706       108.7498 73.41400 3.345988 74.89997 6.001287 -1.485970      6.871032 
1 1 1 51  3  7  o 63.15070 3.765080 484.0557       50.21987 477.8737       58.10062 502.3201       99.86591 62.59769 3.836366 63.70370 6.479631 -1.106010      7.530161 
1 1 1 51  3  8  f 56.40527 4.872774 411.5336       52.68356 421.7650       59.22718 372.7543       115.3058 58.70266 4.170239 54.10788 8.808223 4.594788       9.745547 
1 1 1 51  3  9  o 78.05759 3.943989 813.9404       59.37457 859.3331       67.47382 658.1797       124.9888 83.89398 3.324315 72.22121 7.153260 11.67278       7.887979 
1 1 1 51  3  10 o 31.66707 6.008376 153.2636       47.93926 182.2551       53.65725 38.57228       106.7231 38.13116 5.816290 25.20297 10.51538 12.92819       12.01675 
1 1 1 51  3  11 o 46.95419 6.264760 310.5895       54.10260 318.1050       60.23938 279.2386       123.0342 50.44909 4.935428 43.45928 11.51653 6.989811       12.52952 
1 1 1 51  3  12 o 69.65123 4.964645 613.9740       62.97236 601.0712       69.12037 676.9780       152.7388 69.44221 4.114151 69.86026 9.036846 -0.4180527     9.929291 
1 1 1 51  3  13 o 24.43359 6.530533 70.05830       56.07355 126.7131       81.07482 18.10658       77.63680 28.85370 9.763438 20.01347 8.675639 8.840227       13.06107 
1 1 1 51  5  0  o 356.2819 5.448042 15414.78       402.8294 15333.58       462.6572 15669.25       819.0279 355.2086 5.383609 357.3551 9.473194 -2.146423      10.89608 
1 1 1 51  5  1  o 86.76692 3.554084 962.4467       60.63366 1000.090       68.90688 833.3135       127.6252 90.84330 3.135215 82.69054 6.379379 8.152763       7.108168 
1 1 1 51  5  2  o 226.3957 3.839831 6251.595       181.5851 6264.803       209.5501 6211.779       363.8285 227.2276 3.811752 225.5639 6.666914 1.663696       7.679661 
1 1 1 51  5  3  f 153.1623 3.221927 2928.856       103.1879 3009.784       119.9449 2698.394       202.4092 157.5454 3.146833 148.7792 5.623229 8.766266       6.443854 
1 1 1 51  5  4  o 137.6026 3.118912 2296.957       88.09316 2290.600       100.7087 2317.668       181.7827 137.4136 3.029251 137.7916 5.452898 -0.3780670     6.237825 
1 1 1 51  5  5  o 65.12732 3.714746 477.2818       48.52285 447.8700       54.25227 594.8840       108.4838 60.68664 3.695068 69.56800 6.445450 -8.881359      7.429492 
1 1 1 51  5  6  o 19.15326 5.566758 -42.38280      38.93019 -78.75636      44.15367 84.64010       82.51159 10.77843 5.250823 27.52809 9.817537 -16.74965      11.13352 
1 1 1 51  5  7  o 23.35794 5.549379 65.22330       42.94044 104.1724       48.31599 -81.17787      93.67297 28.38072 7.064408 18.33517 8.560175 10.04555       11.09876 
1 1 1 51  5  8  o 65.35355 5.534097 640.8593       57.54210 690.8947       63.52797 412.2546       135.7903 75.24105 3.489858 55.46605 10.50361 19.77500       11.06819 
1 1 1 51  5  9  o 84.32790 3.831364 878.5202       61.93408 875.5874       69.07729 890.5414       139.8505 84.64126 3.373268 84.01455 6.880296 0.6267090      7.662728 
1 1 1 51  5  10 o 102.4323 3.601843 1318.510       72.15977 1327.181       81.25127 1286.139       156.9927 104.1241 3.225349 100.7405 6.441289 3.383537       7.203686 
1 1 1 51  5  11 o 62.99651 5.185711 500.1520       59.94867 490.7111       65.93807 545.1517       143.9574 62.83293 4.337571 63.16010 9.420822 -0.3271675     10.37142 
1 1 1 51  5  12 o 29.87796 7.622348 85.92564       56.76752 55.08944       62.32137 236.1689       137.5638 22.00331 8.405436 37.75262 12.71807 -15.74930      15.24470 
1 1 1 51  5  13 o 50.41407 7.146981 420.6208       65.46014 436.6925       72.44057 349.0779       152.8392 58.04390 5.158494 42.78424 13.33069 15.25965       14.29396 
1 1 1 51  7  0  o 124.7725 3.248231 1952.993       82.18736 2008.557       94.22948 1776.324       168.0236 128.7447 3.025207 120.8004 5.749099 7.944351       6.496462 
1 1 1 51  7  1  o 173.7654 3.390275 3739.048       122.5523 3808.005       141.7384 3534.801       243.9356 177.2195 3.305777 170.3112 5.920108 6.908279       6.780549 
1 1 1 51  7  2  o 157.1788 3.236642 3092.502       107.2205 3191.727       125.2870 2820.940       207.2665 162.2337 3.191998 152.1239 5.631568 10.10977       6.473284 
1 1 1 51  7  3  o 19.01657 5.814700 2.052011       40.26035 3.573067       44.90581 -4.179655      90.89334 16.05062 6.766541 21.98251 9.458162 -5.931889      11.62940 
1 1 1 51  7  4  o 63.66830 4.054538 490.6460       49.92094 486.9489       55.73264 505.6514       112.2790 63.29355 3.639551 64.04305 7.246433 -0.7494965     8.109076 
1 1 1 51  7  5  o 36.53523 5.902543 189.4354       43.81857 205.4578       49.02239 125.7585       97.72858 40.98648 4.943694 32.08398 10.72007 8.902504       11.80509 
1 1 1 51  7  6  o 46.24432 5.966499 363.0389       48.70346 418.0984       54.49885 144.6758       108.5328 58.55147 3.847222 33.93716 11.29581 24.61430       11.93300 
1 1 1 51  7  7  o 73.21594 4.057322 665.9801       56.84168 668.2515       63.45273 656.7520       127.8967 74.01742 3.543350 72.41447 7.300146 1.602951       8.114644 
1 1 1 51  7  8  o 30.22043 6.481502 131.8924       48.35701 151.3125       52.43524 21.41582       125.0642 34.25055 6.566772 26.19031 11.17663 8.060236       12.96300 
1 1 1 51  7  9  o 25.44647 6.828546 67.33962       47.94334 69.05229       52.54285 58.82213       117.1744 23.58059 7.859994 27.31234 11.16856 -3.731749      13.65709 
1 1 1 51  7  10 o 51.23878 6.080089 401.8073       55.75218 438.5197       63.00104 269.2445       119.7159 59.48819 4.377384 42.98937 11.34497 16.49882       12.16018 
1 1 1 51  7  11 o 55.47025 6.106860 417.0917       58.15470 415.6092       63.78801 424.3903       141.5352 57.63904 4.574251 53.30145 11.32480 4.337589       12.21372 
1 1 1 51  7  12 o 73.19884 5.280766 709.4144       66.92719 702.2551       72.88866 747.8882       168.9691 74.87757 4.023518 71.52010 9.765103 3.357468       10.56153 
1 1 1 51  7  13 o 23.07306 7.131748 49.96600       60.37495 50.99370       65.39547 44.03331       157.1233 21.00421 8.432251 25.14190 11.50411 -4.137699      14.26350 
1 1 1 51  9  0  o 46.13443 5.909934 291.7789       47.80013 305.4432       52.73070 228.7924       113.2125 50.13911 4.346950 42.12975 10.99151 8.009369       11.81987 
1 1 1 51  9  1  o 53.09353 4.665660 339.0316       47.42567 335.3381       52.72965 354.6699       108.5002 52.53176 4.148877 53.65530 8.358252 -1.123531      9.331321 
1 1 1 51  9  2  o 150.8223 3.241707 2893.852       103.2046 3040.602       121.3572 2510.410       196.1673 158.2957 3.168795 143.3488 5.656271 14.94684       6.483414 
1 1 1 51  9  3  o 159.1597 3.285154 3203.763       110.5525 3338.250       129.7920 2848.305       211.0098 165.7979 3.235687 152.5215 5.718328 13.27637       6.570308 
1 1 1 51  9  4  o 33.75725 5.923405 182.4545       45.91653 214.5353       50.28130 21.36823       112.6711 41.88172 4.962262 25.63278 10.75746 16.24894       11.84681 
1 1 1 51  9  5  o 88.54133 3.578989 1006.822       62.11080 1042.442       70.47585 882.9268       131.4387 92.58405 3.146312 84.49860 6.429415 8.085449       7.157978 
1 1 1 51  9  6  o 52.45060 5.097559 318.2175       50.62399 303.6449       55.71865 387.1505       121.1840 49.76212 4.628065 55.13909 9.084132 -5.376968      10.19512 
1 1 1 51  9  7  o 56.25160 4.646183 374.3163       50.81903 360.5608       56.52069 432.3617       116.1055 54.21124 4.309390 58.29197 8.232691 -4.080738      9.292365 
1 1 1 51  9  8  o 26.75475 6.395558 97.50432       49.02250 123.0043       52.64032 -69.11362      134.5580 30.56995 7.230699 22.93955 10.55129 7.630400       12.79112 
1 1 1 51  9  9  o 31.79613 5.590759 174.1696       49.18158 223.1060       53.95916 -66.04402      119.5497 42.26540 5.276889 21.32687 9.858031 20.93852       11.18152 
1 1 1 51  9  10 o 89.26123 4.028173 1022.051       67.97551 1030.712       75.81569 986.5557       153.4908 91.52711 3.423790 86.99535 7.292626 4.531754       8.056347 
1 1 1 51  9  11 o 33.61090 7.784988 142.7196       57.01314 127.8221       61.68199 230.1011       149.3867 30.07794 8.235146 37.14386 13.21388 -7.065912      15.56998 
1 1 1 51  9  12 o 43.53947 7.215487 342.7520       61.74588 363.1979       66.65311 219.0363       163.9569 52.98019 5.200015 34.09876 13.46153 18.88142       14.43097 
1 1 1 51  11 0  o 82.85005 3.844105 783.1747       58.33661 756.0408       63.68428 924.6877       145.4367 78.91904 3.335401 86.78105 6.927025 -7.862007      7.688210 
1 1 1 51  11 1  o 55.20993 4.451158 272.5994       46.45603 223.2318       50.23200 564.4260       122.1298 42.77901 4.853415 67.64086 7.462948 -24.86185      8.902316 
1 1 1 51  11 2  o 144.7084 3.355280 2615.810       97.80397 2666.271       111.5858 2448.542       203.1580 148.1675 3.112818 141.2492 5.944912 6.918274       6.710560 
1 1 1 51  11 3  o 113.4239 3.384309 1600.758       75.72952 1621.672       85.58050 1525.283       162.5809 115.5243 3.061956 111.3234 6.036441 4.200981       6.768619 
1 1 1 51  11 4  o 48.08224 5.896138 339.4931       49.24665 365.2988       54.74237 229.9822       112.7702 54.69233 4.137089 41.47216 11.04275 13.22017       11.79228 
1 1 1 51  11 5  o 71.12790 4.219597 603.8965       55.35313 592.0660       60.78173 661.3920       133.9954 69.66747 3.606125 72.58833 7.629932 -2.920860      8.439195 
1 1 1 51  11 6  o 40.70212 6.446139 212.3687       50.33760 210.3410       55.49971 221.7728       119.5227 41.21511 5.565855 40.18913 11.62893 1.025986       12.89228 
1 1 1 51  11 7  o 52.48960 6.233338 365.9105       56.24652 368.0110       61.60302 355.3837       137.9093 54.61293 4.662343 50.36628 11.56203 4.246643       12.46668 
1 1 1 51  11 8  o 33.92799 7.322810 142.8599       50.85305 138.2704       54.58860 172.9923       139.8734 32.31770 7.169258 35.53828 12.77090 -3.220589      14.64562 
1 1 1 51  11 9  o 61.72775 5.420891 487.4710       58.13639 482.8047       63.24417 512.9090       147.6651 62.42334 4.187658 61.03217 10.00039 1.391167       10.84178 
1 1 1 51  11 10 o 18.38458 6.119279 -27.65154      52.29359 -10.90567      56.12894 -137.7751      143.9372 16.10125 7.163131 20.66792 9.923298 -4.566669      12.23856 
1 1 1 51  11 11 o 52.26136 7.403730 416.2829       64.24246 416.1619       69.35663 417.0137       170.4594 57.00359 5.029021 47.51913 13.92731 9.484463       14.80746 
1 1 1 51  11 12 o 40.56312 9.217365 258.2689       88.40211 258.2689       88.40211 0.000000       0.000000 40.56312 9.217365 ?        ?        ?              ?        
1 1 1 51  13 0  o 157.7049 3.491059 3034.092       109.2788 3029.268       123.3002 3051.755       235.9491 157.8879 3.227844 157.5219 6.191203 0.3659973      6.982118 
1 1 1 51  13 1  o 119.7243 3.415225 1799.953       80.37418 1835.341       90.87393 1672.814       172.2477 122.8983 3.056265 116.5503 6.108542 6.347992       6.830450 
1 1 1 51  13 2  o 55.28922 5.063154 370.8494       52.49757 365.5414       58.00565 394.8840       123.4304 54.68769 4.384079 55.89075 9.128087 -1.203060      10.12631 
1 1 1 51  13 3  o 85.15372 3.820240 818.6664       61.49366 777.7531       67.54567 1016.776       148.6336 79.88734 3.494759 90.42008 6.794379 -10.53274      7.640480 
1 1 1 51  13 4  o 63.27882 4.938342 502.6878       55.86476 503.7883       61.21412 497.2040       136.6468 64.19016 3.941675 62.36749 9.056052 1.822670       9.876684 
1 1 1 51  13 5  o 68.32057 4.708261 578.5455       59.11489 575.2401       65.11169 594.0511       141.0227 68.53610 3.926786 68.10505 8.558694 0.4310532      9.416522 
1 1 1 51  13 6  o 141.0859 3.571326 2517.435       99.31772 2557.441       112.3841 2374.777       212.2226 144.6939 3.210349 137.4779 6.380527 7.216049       7.142651 
1 1 1 51  13 7  o 36.22180 7.442975 196.5117       63.82621 214.5123       70.35917 112.8614       151.6744 40.30272 7.491547 32.14088 12.86344 8.161842       14.88595 
1 1 1 51  13 8  o 36.25099 7.180032 196.1349       56.79160 207.7098       61.10168 122.6651       153.9394 40.36195 6.257180 32.14003 12.92514 8.221928       14.36006 
1 1 1 51  13 9  o 51.90405 7.528986 403.5654       60.17946 406.9521       63.97154 377.5134       177.4277 56.95507 4.642501 46.85303 14.32444 10.10205       15.05797 
1 1 1 51  13 10 o 21.22070 8.922207 33.37226       77.73822 33.37226       77.73822 0.000000       0.000000 21.22070 8.922207 ?        ?        ?              ?        
1 1 1 51  15 0  o 18.13277 5.438345 -2.263166      43.25107 -41.65407      64.62571 29.69360       58.20881 16.07442 7.363497 20.19112 8.005080 -4.116703      10.87669 
1 1 1 51  15 1  o 60.60011 6.591312 598.1901       56.50443 642.2487       60.91160 326.3534       151.3000 72.58800 3.468430 48.61223 12.71816 23.97577       13.18262 
1 1 1 51  15 2  o 58.91891 5.871211 451.1725       56.58157 453.7910       61.39397 436.4069       145.7886 60.88077 4.168149 56.95706 10.97775 3.923710       11.74242 
1 1 1 51  15 3  o 33.32930 7.334855 68.50454       51.16957 33.49092       54.82769 304.9375       142.4740 20.03114 7.821574 46.62746 12.41061 -26.59632      14.66971 
1 1 1 51  15 4  o 31.79732 7.383764 124.4419       52.02754 125.2725       55.82543 118.9530       143.5086 30.82214 7.546772 32.77249 12.69355 -1.950352      14.76753 
1 1 1 51  15 5  o 32.72705 6.597229 164.1948       53.52379 189.3739       57.64308 6.674598       144.1767 38.81583 6.138129 26.63828 11.67977 12.17756       13.19446 
1 1 1 51  15 6  f 28.44729 7.684772 59.76393       53.05189 41.54269       56.81808 183.7002       148.1824 20.75330 8.001322 36.14128 13.12256 -15.38798      15.36954 
1 1 1 51  15 7  o 27.51944 7.786370 49.04773       54.34540 31.62764       57.88437 178.5842       157.8454 19.78571 7.936710 35.25317 13.39846 -15.46746      15.57274 
1 1 1 51  15 8  o 24.16306 9.265819 67.94436       75.91418 67.94436       75.91418 0.000000       0.000000 24.16306 9.265819 ?        ?        ?              ?        
1 1 1 51  17 0  o 49.25754 4.350877 305.9238       50.83722 239.3748       72.07977 371.7937       71.71104 43.69817 6.817856 54.81691 5.407159 -11.11874      8.701755 
1 1 1 51  17 1  f 20.56671 5.879114 21.68268       45.90190 53.95241       69.40962 -3.399968      61.19397 23.35979 8.883239 17.77362 7.703505 5.586178       11.75823 
1 1 1 51  17 2  o 103.5917 2.906811 1318.489       72.83656 1313.359       101.8649 1323.854       104.1872 103.4007 4.071918 103.7826 4.149421 -0.3819580     5.813622 
1 1 1 51  17 3  o 43.06714 5.058630 237.5283       51.46228 265.2874       76.37627 214.4461       69.64581 45.70444 6.907131 40.42984 7.392598 5.274605       10.11726 
1 1 1 51  17 4  o 102.4164 4.333314 1361.176       77.04053 1378.846       84.13694 1269.482       191.6614 106.0896 3.278021 98.74323 8.022782 7.346344       8.666629 
1 1 1 51  17 5  o 18.52535 7.753111 15.69320       58.27111 15.69320       58.27111 0.000000       0.000000 18.52535 7.753111 ?        ?        ?              ?        
1 1 1 51  19 0  o 36.59760 5.975523 180.0872       51.94502 204.3494       75.08805 157.8193       71.93600 39.07798 8.203444 34.11722 8.690856 4.960758       11.95105 
1 1 1 51  19 1  o 45.01486 5.192268 268.9014       53.02547 366.0463       76.06336 177.0559       73.95956 53.94899 5.827602 36.08073 8.595210 17.86826       10.38454 
1 1 1 51  19 2  o 64.38259 5.149147 529.2373       76.98793 558.1202       129.3303 513.3849       95.81366 65.17815 8.201550 63.58702 6.228115 1.591129       10.29829 
1 1 1 52  0  0  o 239.5314 3.442370 6961.680       281.8593 6961.680       281.8593 6961.680       281.8593 239.5314 4.868247 239.5314 4.868247 0.000000       0.000000 
1 1 1 52  0  1  o 424.0917 5.460839 21891.71       791.7927 21891.71       791.7927 21891.71       791.7927 424.0917 7.722792 424.0917 7.722792 0.000000       0.000000 
1 1 1 52  0  2  o 307.4117 4.150095 11484.02       436.1526 11484.02       436.1526 11484.02       436.1526 307.4117 5.869120 307.4117 5.869120 0.000000       0.000000 
1 1 1 52  0  3  o 141.9249 2.702687 2446.112       131.0264 2446.112       131.0264 2446.112       131.0264 141.9249 3.822176 141.9249 3.822176 0.000000       0.000000 
1 1 1 52  0  4  o 76.03345 2.739679 706.2919       70.85008 706.2919       70.85008 706.2919       70.85008 76.03345 3.874491 76.03345 3.874491 0.000000       0.000000 
1 1 1 52  0  5  o 35.44873 4.962567 169.8261       53.49382 169.8261       53.49382 169.8261       53.49382 35.44873 7.018129 35.44873 7.018129 0.000000       0.000000 
1 1 1 52  0  6  o 137.3159 2.657639 2293.684       124.6516 2293.684       124.6516 2293.684       124.6516 137.3159 3.758469 137.3159 3.758469 0.000000       0.000000 
1 1 1 52  0  7  o 94.39755 2.672668 1087.594       86.00789 1087.594       86.00789 1087.594       86.00789 94.39755 3.779724 94.39755 3.779724 0.000000       0.000000 
1 1 1 52  0  8  o 79.09195 3.085898 768.6937       82.92739 768.6937       82.92739 768.6937       82.92739 79.09195 4.364119 79.09195 4.364119 0.000000       0.000000 
1 1 1 52  0  9  o 33.76426 6.409610 168.2583       63.98951 168.2583       63.98951 168.2583       63.98951 33.76426 9.064558 33.76426 9.064558 0.000000       0.000000 
1 1 1 52  0  10 o 100.3024 2.834629 1233.834       96.92725 1233.834       96.92725 1233.834       96.92725 100.3024 4.008770 100.3024 4.008770 0.000000       0.000000 
1 1 1 52  0  11 o 15.04657 6.532127 27.76738       64.87315 27.76738       64.87315 27.76738       64.87315 15.04657 9.237823 15.04657 9.237823 0.000000       0.000000 
1 1 1 52  0  12 o 31.25885 7.614121 164.4221       73.29624 164.4221       73.29624 164.4221       73.29624 31.25885 10.76799 31.25885 10.76799 0.000000       0.000000 
1 1 1 52  0  13 o 17.21178 7.437028 48.92694       83.20689 48.92694       83.20689 48.92694       83.20689 17.21178 10.51755 17.21178 10.51755 0.000000       0.000000 
1 1 1 52  2  0  o 219.8969 3.770636 5839.859       172.2336 5806.221       197.8151 5945.271       350.1751 218.8445 3.736125 220.9494 6.550737 -2.104858      7.541273 
1 1 1 52  2  1  o 222.9166 3.775857 6097.181       178.2517 6157.595       207.5609 5927.424       347.9281 225.3206 3.807520 220.5126 6.521594 4.808044       7.551715 
1 1 1 52  2  2  o 179.7531 3.388348 3947.743       127.6339 3968.681       147.6331 3885.782       253.9604 180.9160 3.372908 178.5903 5.877679 2.325684       6.776697 
1 1 1 52  2  3  o 66.68744 3.487139 543.0394       48.79169 544.9830       56.45085 537.2993       97.01305 67.02217 3.481366 66.35271 6.043231 0.6694641      6.974278 
1 1 1 52  2  4  o 166.8504 3.260250 3404.177       113.4997 3418.868       130.9841 3359.905       227.3855 167.8494 3.225495 165.8514 5.666843 1.997986       6.520501 
1 1 1 52  2  5  o 36.09975 5.573664 179.7927       42.15510 195.6976       48.45502 130.2796       85.49351 40.02830 5.003447 32.17119 9.961348 7.857109       11.14733 
1 1 1 52  2  6  o 83.97023 3.150979 865.1334       56.03304 869.4809       65.18235 852.8257       109.6733 84.57213 3.185668 83.36832 5.437480 1.203804       6.301958 
1 1 1 52  2  7  o 29.94455 5.623431 130.3447       44.62096 166.2408       51.57890 23.56931       88.95772 36.70323 5.808520 23.18587 9.630836 13.51735       11.24686 
1 1 1 52  2  8  o 74.32666 4.021185 714.8817       57.84474 737.9697       65.33668 631.1719       124.4089 77.76511 3.472722 70.88820 7.253959 6.876915       8.042370 
1 1 1 52  2  9  o 47.98646 5.182728 286.7755       48.97461 279.0706       55.58710 313.5039       103.5324 47.52810 4.834162 48.44482 9.169164 -0.9167175     10.36546 
1 1 1 52  2  10 o 38.47181 6.787869 180.8632       58.51326 143.4158       68.85813 278.1678       110.9969 32.48049 8.619634 44.46313 10.48821 -11.98264      13.57574 
1 1 1 52  2  11 o 21.80293 5.948094 35.68609       48.74522 89.41364       67.56098 -22.64989      70.39888 26.12506 8.912313 17.48080 7.879718 8.644258       11.89619 
1 1 1 52  2  12 o 52.43953 4.485631 360.1842       56.54821 319.1364       80.39463 400.3785       79.55448 49.21636 6.751733 55.66270 5.907423 -6.446342      8.971262 
1 1 1 52  2  13 o 24.11792 6.283218 55.52847       55.33865 152.7023       82.04269 -25.58665      74.95767 31.06518 9.781220 17.17065 7.889425 13.89453       12.56644 
1 1 1 52  4  0  o 195.2328 3.728446 4734.083       169.2558 5047.509       216.0069 4235.574       272.4187 203.9317 4.378048 186.5339 6.036384 17.39780       7.456892 
1 1 1 52  4  1  o 34.96462 5.810405 159.4121       43.66612 167.9457       50.01701 132.0643       89.53942 37.14920 5.565010 32.78004 10.20166 4.369160       11.62081 
1 1 1 52  4  2  o 151.2740 3.187316 2708.488       98.24104 2649.005       111.4280 2916.121       208.1844 147.8202 3.115717 154.7278 5.561316 -6.907593      6.374632 
1 1 1 52  4  3  o 169.0199 3.293814 3503.129       116.6236 3531.154       134.9770 3420.583       231.6505 170.6102 3.270034 167.4296 5.718718 3.180664       6.587628 
1 1 1 52  4  4  o 22.89938 5.887142 56.78616       39.75867 71.19756       44.58853 0.8665081      87.83192 23.91593 7.152169 21.88283 9.353086 2.033096       11.77428 
1 1 1 52  4  5  o 104.0457 3.144051 1397.191       68.30289 1485.160       80.18318 1164.545       130.3965 110.5954 2.996703 97.49602 5.528110 13.09943       6.288102 
1 1 1 52  4  6  o 30.87094 6.271575 113.5810       43.19326 106.3006       48.92165 139.3218       91.98895 28.71771 7.084980 33.02417 10.35054 -4.306463      12.54315 
1 1 1 52  4  7  f 70.76891 3.903522 571.2811       55.28918 538.2984       61.83474 702.7960       123.4743 66.39884 3.849193 75.13898 6.792176 -8.740135      7.807044 
1 1 1 52  4  8  o 33.99613 6.334046 167.3400       47.66552 183.9681       52.44595 88.39977       114.2721 38.53167 5.625898 29.46058 11.35032 9.071085       12.66809 
1 1 1 52  4  9  o 71.93509 4.266394 669.6887       57.22593 683.5823       63.73463 611.8977       129.9868 74.72734 3.525280 69.14284 7.770512 5.584503       8.532787 
1 1 1 52  4  10 o 54.72061 5.976802 455.9846       56.02606 494.0377       62.77291 306.9601       124.2240 63.26483 4.101169 46.17640 11.22805 17.08843       11.95360 
1 1 1 52  4  11 o 39.75378 7.010421 225.8219       56.19283 228.2854       61.68277 213.8013       136.2540 42.26487 6.032287 37.24268 12.65684 5.022194       14.02084 
1 1 1 52  4  12 o 43.78035 7.181216 222.8533       57.88403 188.9435       62.72116 417.6086       150.3127 37.07458 7.252325 50.48612 12.39690 -13.41154      14.36243 
1 1 1 52  4  13 o 18.50890 6.084641 -19.18461      59.81790 14.76337       65.23978 -198.3343      149.8696 18.35017 7.953742 18.66763 9.210288 -0.3174572     12.16928 
1 1 1 52  6  0  o 109.7794 3.097632 1428.729       69.62187 1399.432       79.15497 1528.852       146.3320 107.4592 3.044616 112.0996 5.395517 -4.640427      6.195263 
1 1 1 52  6  1  o 59.08866 4.144353 436.4565       48.41692 444.9194       54.83997 406.5437       103.1014 60.55264 3.743362 57.62469 7.395263 2.927944       8.288707 
1 1 1 52  6  2  o 68.47961 3.705721 534.9495       50.41293 509.8307       56.30879 636.4069       113.1665 64.81313 3.590963 72.14610 6.483399 -7.332970      7.411442 
1 1 1 52  6  3  o 25.22990 6.283995 46.41250       40.21616 27.61657       44.74590 125.4015       91.72859 18.41768 7.100666 32.04213 10.36990 -13.62446      12.56799 
1 1 1 52  6  4  o 85.58542 3.382255 926.4589       57.80278 953.7192       65.90388 835.5741       120.3348 88.63197 3.073394 82.53888 6.026015 6.093086       6.764511 
1 1 1 52  6  5  o 26.17359 6.400275 60.25711       40.84726 45.24668       45.30950 125.4016       94.39114 20.46343 7.277551 31.88376 10.53049 -11.42033      12.80055 
1 1 1 52  6  6  o 124.9432 3.205488 1917.539       81.02466 1923.407       92.22347 1897.680       169.6439 125.7653 3.030946 124.1210 5.649247 1.644287       6.410977 
1 1 1 52  6  7  o 101.0003 3.291821 1230.054       66.96483 1212.338       75.76846 1293.278       143.1336 99.77251 3.138884 102.2281 5.787205 -2.455627      6.583642 
1 1 1 52  6  8  o 68.36956 4.186556 539.4183       54.73003 514.1672       60.39824 655.3242       129.4005 64.79156 3.853040 71.94756 7.433916 -7.155991      8.373113 
1 1 1 52  6  9  o 36.27549 6.434782 204.4556       48.87312 223.8622       53.13283 97.77513       124.5748 42.42471 5.176566 30.12627 11.78257 12.29844       12.86956 
1 1 1 52  6  10 o 62.51962 5.786952 550.2855       59.33624 566.8215       65.01348 467.8168       145.1886 67.75161 3.966263 57.28763 10.87309 10.46398       11.57390 
1 1 1 52  6  11 o 52.87785 5.693542 285.2167       58.62146 232.4097       64.01096 559.7858       145.9602 42.45010 6.232657 63.30560 9.529935 -20.85550      11.38708 
1 1 1 52  6  12 o 22.11325 6.798422 33.30240       55.06990 37.05214       60.21599 14.13444       136.1442 19.95252 8.062708 24.27397 10.94838 -4.321445      13.59684 
1 1 1 52  6  13 o 49.17274 7.400929 439.6920       67.18031 459.7827       73.57566 338.9649       164.7443 59.19854 5.137133 39.14695 13.88182 20.05160       14.80186 
1 1 1 52  8  0  o 27.32681 6.383298 84.33076       42.57666 83.94127       47.71160 85.85366       94.34357 25.84112 7.306118 28.81250 10.46932 -2.971384      12.76660 
1 1 1 52  8  1  o 95.26851 3.325802 1135.024       64.04491 1161.676       73.23996 1048.424       132.0214 97.87022 3.093109 92.66681 5.888677 5.203407       6.651604 
1 1 1 52  8  2  o 86.54540 3.599818 980.4620       60.84492 1034.484       69.33032 799.4052       126.9250 92.33501 3.103519 80.75579 6.496379 11.57922       7.199637 
1 1 1 52  8  3  o 98.04781 3.506710 1257.330       67.29375 1325.290       76.71805 1030.577       140.1357 104.4870 3.034822 91.60864 6.322809 12.87832       7.013420 
1 1 1 52  8  4  o 118.5573 3.189469 1760.613       77.16871 1801.492       88.61768 1632.362       156.9654 121.7821 3.007701 115.3326 5.625351 6.449547       6.378938 
1 1 1 52  8  5  o 115.9761 3.300813 1676.726       75.80292 1700.257       85.80750 1593.099       161.7622 118.2646 2.998942 113.6876 5.881141 4.577019       6.601626 
1 1 1 52  8  6  o 66.61255 4.108327 545.8456       53.01242 544.0723       59.31513 552.8852       118.1779 66.77332 3.671641 66.45178 7.350678 0.3215408      8.216655 
1 1 1 52  8  7  o 52.35624 5.755641 382.7674       51.85629 399.4863       57.42309 308.8638       120.7303 57.08341 4.157903 47.62907 10.73413 9.454334       11.51128 
1 1 1 52  8  8  o 32.21481 6.122601 167.5504       49.62926 199.0703       53.55973 -23.86675      131.9887 39.98372 5.536725 24.44590 10.92198 15.53782       12.24520 
1 1 1 52  8  9  o 49.11540 5.905047 315.8759       51.41211 313.6329       56.59232 326.4724       123.0066 50.27626 4.652563 47.95454 10.85504 2.321716       11.81009 
1 1 1 52  8  10 o 40.97816 6.936551 227.1295       55.41360 222.6015       60.81966 249.2564       134.4480 41.78402 6.016328 40.17231 12.50067 1.611713       13.87310 
1 1 1 52  8  11 o 21.67834 6.806865 19.34333       55.08639 25.27672       59.52065 -16.08566      145.4439 19.10773 7.902443 24.24896 11.08535 -5.141232      13.61373 
1 1 1 52  8  12 o 41.22630 7.619541 258.1440       61.35144 249.9530       66.14174 308.6258       164.2008 43.22292 6.324982 39.22967 13.86450 3.993244       15.23908 
1 1 1 52  10 0  o 80.51392 3.762762 779.0081       57.70115 771.6341       64.06181 810.7079       132.8235 79.73212 3.320959 81.29572 6.753129 -1.563599      7.525524 
1 1 1 52  10 1  o 55.70931 4.751771 402.8326       49.66658 416.8822       55.57081 347.0553       110.7247 58.54647 3.923229 52.87216 8.655956 5.674309       9.503542 
1 1 1 52  10 2  o 164.6654 3.369340 3377.879       115.6380 3447.175       133.9800 3175.491       228.9701 168.4390 3.287721 160.8918 5.882236 7.547195       6.738680 
1 1 1 52  10 3  o 49.48174 5.597116 298.3460       49.54098 292.1031       54.44759 328.3760       119.4152 48.89422 4.602766 50.06925 10.20419 -1.175030      11.19423 
1 1 1 52  10 4  o 82.30293 3.884586 853.3612       60.67278 866.5660       67.75037 799.8810       136.3457 84.38047 3.318696 80.22540 7.024692 4.155075       7.769172 
1 1 1 52  10 5  o 139.4937 3.298087 2460.683       95.19325 2535.502       110.2513 2241.523       188.6942 144.3123 3.157751 134.6750 5.791210 9.637299       6.596174 
1 1 1 52  10 6  o 86.30241 4.016061 974.5173       65.36229 1009.456       73.30674 839.0245       144.3609 90.96640 3.330892 81.63843 7.308909 9.327972       8.032123 
1 1 1 52  10 7  o 89.40227 4.076000 1099.315       68.57249 1176.697       77.71844 827.3647       145.6971 98.14478 3.273065 80.65974 7.466066 17.48504       8.151999 
1 1 1 52  10 8  o 31.53934 6.341215 151.9696       49.34980 174.7642       53.28286 14.44378       130.8773 37.28444 5.906873 25.79424 11.22287 11.49020       12.68243 
1 1 1 52  10 9  o 60.24488 6.224011 552.2899       59.94999 584.8413       65.90069 396.0738       144.3668 68.78809 3.959810 51.70168 11.80141 17.08642       12.44802 
1 1 1 52  10 10 o 28.59610 7.549953 84.88641       52.21261 71.33567       56.15099 171.4456       141.9164 23.47959 8.120474 33.71260 12.73048 -10.23301      15.09991 
1 1 1 52  10 11 o 45.94145 6.885341 426.6226       64.38472 478.6100       69.89343 135.2766       165.4595 61.33121 4.710343 30.55169 12.94003 30.77951       13.77068 
1 1 1 52  10 12 o 28.36701 9.831318 131.8403       82.32418 131.8403       82.32418 0.000000       0.000000 28.36701 9.831318 ?        ?        ?              ?        
1 1 1 52  12 0  o 112.6636 3.429808 1516.140       74.54686 1493.970       83.00771 1608.566       169.4826 110.9086 3.093507 114.4186 6.122464 -3.510056      6.859617 
1 1 1 52  12 1  o 122.8292 3.314305 1712.394       78.12963 1634.714       86.27187 2066.627       184.2299 115.9922 3.074242 129.6662 5.872606 -13.67401      6.628610 
1 1 1 52  12 2  o 93.43784 3.560701 1034.914       63.37831 1013.649       70.20261 1128.614       147.3644 91.29768 3.178273 95.57800 6.372828 -4.280319      7.121401 
1 1 1 52  12 3  o 38.73701 6.103388 167.2005       46.86589 146.3646       52.18773 254.0155       106.5269 33.80012 6.618717 43.67390 10.25661 -9.873783      12.20678 
1 1 1 52  12 4  o 89.27368 3.688931 978.4894       63.56602 976.3027       71.04229 987.2695       142.3520 89.51208 3.280447 89.03528 6.608442 0.4768066      7.377861 
1 1 1 52  12 5  o 38.53018 6.780916 189.0687       50.30003 187.3191       54.68213 198.6913       128.2374 38.83788 5.819525 38.22248 12.24975 0.6154022      13.56183 
1 1 1 52  12 6  f 40.59747 6.516971 256.1452       52.12006 279.8891       57.41946 145.0327       124.2124 47.55265 4.990937 33.64229 12.04052 13.91036       13.03394 
1 1 1 52  12 7  o 70.00166 5.379555 643.6848       73.54663 654.0077       83.17053 606.6627       157.5064 72.62246 4.733651 67.38086 9.661832 5.241600       10.75911 
1 1 1 52  12 8  o 32.85572 6.392041 176.4944       55.71982 211.7278       60.55421 -18.10827      142.3121 40.80745 6.133417 24.90399 11.21668 15.90347       12.78408 
1 1 1 52  12 9  o 42.32835 7.021761 314.3788       57.49799 339.4770       61.64258 146.3415       159.5009 51.92753 4.906602 32.72917 13.15849 19.19836       14.04352 
1 1 1 52  12 10 o 39.27105 8.888155 224.8466       82.47865 224.8466       82.47865 0.000000       0.000000 39.27105 8.888155 ?        ?        ?              ?        
1 1 1 52  14 0  o 70.61905 5.118137 693.2958       59.25784 725.2505       64.55796 522.3082       149.3360 77.17197 3.457705 64.06612 9.634604 13.10585       10.23627 
1 1 1 52  14 1  o 26.77380 6.832185 81.25701       46.22066 89.05351       49.53970 28.85188       128.4371 26.32665 7.445253 27.22096 11.45789 -0.8943157     13.66437 
1 1 1 52  14 2  o 46.59000 6.504233 349.6093       53.28772 384.9191       58.59415 180.7258       128.1447 56.06086 4.320084 37.11914 12.27017 18.94172       13.00847 
1 1 1 52  14 3  o 101.3615 3.965378 1324.062       74.24446 1355.542       82.48165 1189.649       170.4359 105.4455 3.233160 97.27758 7.241793 8.167892       7.930756 
1 1 1 52  14 4  o 58.53656 6.580943 514.2795       59.22631 540.7830       64.24300 364.1880       152.8807 66.40875 3.998510 50.66437 12.53982 15.74438       13.16189 
1 1 1 52  14 5  o 61.61201 5.463061 439.2974       56.93922 421.3773       61.08611 558.0012       157.2191 58.47926 4.317559 64.74477 10.03687 -6.265511      10.92612 
1 1 1 52  14 6  o 42.66026 7.132933 214.6546       53.67623 200.5981       57.51335 309.5776       149.4570 39.89939 5.957994 45.42112 12.96215 -5.521725      14.26587 
1 1 1 52  14 7  o 49.82822 6.793156 240.8095       59.49293 194.8259       63.76798 549.6729       165.2664 38.28299 7.147725 61.37344 11.55413 -23.09046      13.58631 
1 1 1 52  14 8  o 42.55255 7.980709 248.4585       79.14342 248.4585       79.14342 0.000000       0.000000 42.55255 7.980709 ?        ?        ?              ?        
1 1 1 52  16 0  o 96.13768 2.944749 1132.476       68.40399 1137.010       94.48165 1127.483       99.16380 96.37199 4.052233 95.90338 4.273827 0.4686050      5.889498 
1 1 1 52  16 1  o 76.62622 3.200970 724.3282       58.84785 613.0204       82.57143 839.2222       83.89111 70.53515 4.838624 82.71730 4.191962 -12.18215      6.401939 
1 1 1 52  16 2  o 65.65799 5.170905 504.1668       56.14360 489.2740       60.07976 606.7817       157.7050 63.17122 3.931032 68.14475 9.565564 -4.973530      10.34181 
1 1 1 52  16 3  o 142.9613 3.757512 2377.497       99.06495 2292.883       108.4165 2805.473       243.8276 136.9548 3.272022 148.9679 6.765312 -12.01317      7.515023 
1 1 1 52  16 4  o 32.85939 8.121033 107.5025       55.95505 93.08672       59.40066 221.0589       166.7163 26.62970 8.312752 39.08907 13.95360 -12.45938      16.24207 
1 1 1 52  16 5  o 60.20002 6.463660 483.4360       63.33007 481.0474       68.60410 497.2041       164.7063 62.23023 4.556657 58.16980 12.09762 4.060425       12.92732 
1 1 1 52  16 6  o 16.33184 7.621553 -55.06178      74.12876 -55.06178      74.12876 0.000000       0.000000 16.33184 7.621553 ?        ?        ?              ?        
1 1 1 52  18 0  f 47.79965 4.569551 288.3716       52.58834 322.8248       74.89762 254.8704       73.85561 50.72387 6.103140 44.87543 6.802563 5.848442       9.139101 
1 1 1 52  18 1  o 55.80648 4.129699 388.9273       55.52262 342.3337       76.08926 441.9922       81.20152 52.18241 6.026940 59.43055 5.647446 -7.248138      8.259398 
1 1 1 52  18 2  o 32.74694 6.434928 148.3331       53.33405 123.9265       78.72906 169.0339       72.50613 30.26732 9.587400 35.22655 8.585740 -4.959223      12.86986 
1 1 1 52  18 3  o 27.95736 7.081285 18.53250       65.40852 231.6478       122.9869 -65.52052      77.23750 39.52161 11.89175 16.39312 7.691852 23.12849       14.16257 
1 1 1 53  1  0  o 134.6909 3.097228 2244.808       87.65013 2290.342       101.9114 2115.407       171.7990 137.4834 3.063871 131.8983 5.383677 5.585022       6.194456 
1 1 1 53  1  1  o 35.01532 5.768823 179.9290       44.27668 208.0438       50.40852 84.99703       92.62803 41.36552 5.036898 28.66512 10.38012 12.70039       11.53765 
1 1 1 53  1  2  o 40.00125 5.218173 204.2434       42.60328 208.8640       49.29269 190.6008       84.69995 41.43724 4.916877 38.56526 9.205521 2.871983       10.43635 
1 1 1 53  1  3  o 40.31477 5.652386 229.4299       44.82322 250.9613       51.09540 157.5253       93.37357 45.41199 4.650599 35.21753 10.30387 10.19446       11.30477 
1 1 1 53  1  4  o 122.5503 3.008604 1806.012       76.51483 1785.409       87.72836 1871.505       156.4123 121.3005 2.989339 123.8000 5.222130 -2.499550      6.017208 
1 1 1 53  1  5  o 40.54891 5.099102 205.9918       43.52759 204.7504       51.08679 209.2802       83.14893 40.90570 5.162053 40.19212 8.795258 0.7135773      10.19820 
1 1 1 53  1  6  o 116.4822 3.076311 1665.220       74.96885 1672.665       86.65643 1643.070       149.4736 117.2978 3.053576 115.6667 5.341388 1.631111       6.152622 
1 1 1 53  1  7  o 100.0936 3.154031 1220.765       65.72361 1214.242       75.61202 1240.928       132.9300 99.87245 3.129269 100.3148 5.477163 -0.4423523     6.308061 
1 1 1 53  1  8  o 74.06664 3.103204 674.5269       55.42987 663.0505       81.30497 684.4930       75.76704 73.42861 4.576668 74.70466 4.192088 -1.276047      6.206408 
1 1 1 53  1  9  o 57.24143 3.669909 407.4300       50.56014 460.3380       72.27461 356.7231       70.75526 60.96628 4.899974 53.51659 5.464721 7.449688       7.339818 
1 1 1 53  1  10 o 20.03881 5.859113 22.62783       46.47618 33.36823       64.55375 11.06934       66.96716 20.76950 8.363766 19.30812 8.207573 1.461376       11.71823 
1 1 1 53  1  11 o 19.38630 5.853652 9.830571       49.16603 31.83115       69.68305 -11.97937      69.38049 20.89171 8.585923 17.88089 7.958825 3.010813       11.70730 
1 1 1 53  1  12 o 27.85052 6.437659 107.1531       53.64351 51.22047       75.56052 163.9916       76.16993 22.41560 9.040972 33.28545 9.167041 -10.86986      12.87532 
1 1 1 53  1  13 o 29.70735 6.791358 140.4620       56.67346 174.7081       81.60928 108.5630       78.76323 32.91809 9.633447 26.49661 9.575326 6.421482       13.58272 
1 1 1 53  3  0  o 50.92286 4.282054 282.3847       44.93643 255.9212       50.53964 382.2725       98.18947 45.90657 4.550457 55.93915 7.255157 -10.03258      8.564109 
1 1 1 53  3  1  o 146.8042 3.156658 2618.799       95.86167 2619.593       110.0489 2616.300       195.1833 147.0093 3.094130 146.5992 5.503119 0.4101257      6.313316 
1 1 1 53  3  2  o 42.33280 5.304507 259.4817       43.27937 292.2294       50.02647 162.0464       86.29147 49.04531 4.215996 35.62029 9.735326 13.42501       10.60901 
1 1 1 53  3  3  o 65.02935 3.551637 458.1147       48.17973 409.9212       54.40825 633.1945       103.7023 58.08426 3.871721 71.97444 5.955357 -13.89018      7.103274 
1 1 1 53  3  4  o 30.49311 5.974348 95.21609       41.07582 69.06877       46.98392 180.0119       84.61022 23.71664 7.391359 37.26957 9.388246 -13.55293      11.94870 
1 1 1 53  3  5  o 233.7247 3.964289 6612.989       190.3788 6533.632       217.3557 6874.479       394.5522 231.6118 3.878896 235.8377 6.914949 -4.225876      7.928578 
1 1 1 53  3  6  o 96.94279 3.279391 1163.269       64.66846 1174.565       73.90353 1126.353       133.5980 98.27406 3.108307 95.61153 5.775470 2.662529       6.558782 
1 1 1 53  3  7  o 84.55225 3.572594 887.6414       60.46503 894.2143       68.62984 864.8423       127.8174 85.66351 3.311424 83.44099 6.331522 2.222511       7.145188 
1 1 1 53  3  8  o 19.88408 6.181234 -17.33633      45.15491 -30.73179      50.04884 41.28495       104.6991 14.21794 6.500895 25.55021 10.51518 -11.33227      12.36247 
1 1 1 53  3  9  o 17.29257 5.749306 -51.42798      46.28294 -56.17465      51.39211 -31.05295      106.4758 13.00340 6.154386 21.58175 9.712961 -8.578342      11.49861 
1 1 1 53  3  10 o 23.02118 6.641350 8.300675       49.09494 -18.73758      54.78542 118.5485       110.6269 15.58329 6.994118 30.45908 11.29214 -14.87579      13.28270 
1 1 1 53  3  11 o 21.36287 6.782999 -2.625983      52.60853 -9.892795      57.02317 38.92921       136.3616 16.33593 7.245968 26.38981 11.46875 -10.05389      13.56600 
1 1 1 53  3  12 o 24.40259 6.455251 77.16925       51.07109 85.68712       76.89771 70.44708       68.31289 25.26756 9.405270 23.53763 8.844318 1.729923       12.91050 
1 1 1 53  3  13 o 18.96561 5.965247 6.846892       55.48877 -13.54572      80.40266 25.39286       76.67587 18.05524 8.249306 19.87599 8.618911 -1.820747      11.93049 
1 1 1 53  5  0  o 91.43015 3.358755 1034.310       61.44810 1049.156       69.80814 983.2243       129.4942 93.03587 3.101368 89.82443 5.958729 3.211441       6.717509 
1 1 1 53  5  1  o 49.68858 4.961648 309.8681       45.88944 312.1429       51.37666 300.8923       102.0520 50.69390 4.188975 48.68326 8.995793 2.010647       9.923296 
1 1 1 53  5  2  o 118.5346 3.059450 1746.151       74.65769 1782.111       85.97848 1635.931       150.5235 121.2334 2.931333 115.8357 5.371054 5.397697       6.118900 
1 1 1 53  5  3  o 93.17043 3.296579 1080.654       61.87608 1100.138       70.56448 1015.824       128.7148 95.21671 3.063167 91.12415 5.838384 4.092567       6.593157 
1 1 1 53  5  4  o 91.76422 3.259822 1082.991       61.46018 1139.676       71.38107 920.5234       120.8468 96.88023 3.045408 86.64821 5.764654 10.23203       6.519643 
1 1 1 53  5  5  f 84.10100 3.452225 851.9952       57.45503 841.9733       64.59726 889.9465       125.7049 83.21563 3.208536 84.98637 6.113650 -1.770744      6.904449 
1 1 1 53  5  6  o 29.74053 6.287318 115.3431       45.05294 122.3653       51.50299 92.45687       92.97891 30.76136 7.068662 28.71970 10.39978 2.041662       12.57464 
1 1 1 53  5  7  o 125.6588 3.283052 1930.839       83.53150 1923.485       94.96659 1955.979       175.5838 125.6577 3.123772 125.6599 5.775446 -0.2143860E-02 6.566105 
1 1 1 53  5  8  o 69.84815 4.147979 570.9073       55.07192 549.0960       60.77523 671.0292       130.2120 66.95776 3.751659 72.73854 7.399188 -5.780777      8.295959 
1 1 1 53  5  9  o 23.85766 6.614526 12.48621       45.76901 -14.20474      50.33457 139.9167       109.9819 15.25110 6.784195 32.46422 11.35705 -17.21313      13.22905 
1 1 1 53  5  10 o 85.58762 3.895587 898.0746       65.22477 880.4637       73.01564 967.6383       145.1169 84.57064 3.568568 86.60460 6.925874 -2.033958      7.791175 
1 1 1 53  5  11 o 62.76735 5.943083 554.0688       61.15312 562.2795       66.81877 511.7193       151.7522 67.16279 4.112136 58.37190 11.15219 8.790886       11.88617 
1 1 1 53  5  12 o 35.09868 7.237548 195.3836       58.29916 198.8342       64.29104 179.4170       138.2941 37.71712 7.309398 32.48023 12.49404 5.236893       14.47510 
1 1 1 53  7  0  o 150.2008 3.282150 2814.418       101.5215 2882.805       117.0521 2606.781       203.9593 154.1901 3.137766 146.2116 5.765800 7.978500       6.564299 
1 1 1 53  7  1  o 187.2477 3.488805 4382.032       137.6485 4506.288       160.6720 4039.262       266.8606 192.6897 3.446510 181.8057 6.067009 10.88400       6.977609 
1 1 1 53  7  2  o 74.33913 3.403502 645.2929       52.37109 620.5475       59.61391 728.9709       109.6240 71.48402 3.446961 77.19424 5.869734 -5.710228      6.807005 
1 1 1 53  7  3  o 113.9942 3.189081 1621.682       74.19884 1655.635       85.15079 1514.575       151.2393 116.7813 3.013791 111.2071 5.621212 5.574211       6.378162 
1 1 1 53  7  4  o 30.43004 6.417721 113.6289       42.88871 114.1132       47.24885 111.3623       102.2188 29.82916 6.709632 31.03092 10.94209 -1.201763      12.83544 
1 1 1 53  7  5  o 34.06644 6.015955 161.8398       44.89816 176.5969       50.55487 106.7460       97.68208 37.88509 5.515595 30.24779 10.69322 7.637302       12.03191 
1 1 1 53  7  6  o 63.63934 4.512047 516.4553       54.43227 525.2703       60.82764 481.0232       121.9511 65.57536 3.834051 61.70332 8.169108 3.872040       9.024095 
1 1 1 53  7  7  o 59.13037 5.049022 465.1229       54.63867 480.5273       60.77951 400.2379       124.7401 62.62374 4.011584 55.63700 9.267020 6.986736       10.09804 
1 1 1 53  7  8  f 66.57910 4.600253 562.6804       55.44675 565.0444       61.00746 551.4575       132.9281 67.88403 3.714608 65.27417 8.417303 2.609856       9.200506 
1 1 1 53  7  9  o 45.13449 6.283578 290.8505       52.63223 301.7210       58.59529 245.4491       119.7495 49.21852 4.920757 41.05047 11.56372 8.168053       12.56716 
1 1 1 53  7  10 o 31.02255 6.963262 133.3322       52.45987 135.9193       58.60651 122.9030       117.6692 31.51844 7.741735 30.52666 11.57643 0.9917850      13.92652 
1 1 1 53  7  11 o 30.10049 6.746523 144.5327       55.70509 167.3521       61.22610 34.84830       134.2322 34.73973 7.503980 25.46125 11.21395 9.278486       13.49305 
1 1 1 53  7  12 o 32.72844 7.984650 135.8079       58.86755 108.7315       63.71737 293.6347       153.8340 26.95516 8.634310 38.50173 13.43381 -11.54657      15.96930 
1 1 1 53  9  0  o 73.88483 4.209142 718.2424       56.02757 746.9866       62.08051 592.0286       130.0870 78.45218 3.270755 69.31747 7.756911 9.134705       8.418283 
1 1 1 53  9  1  o 137.8132 3.225448 2269.657       89.13000 2235.298       100.6068 2395.003       192.1608 135.7109 3.064154 139.9155 5.676708 -4.204666      6.450896 
1 1 1 53  9  2  o 79.68472 3.595149 755.5663       56.02745 741.5289       62.62038 811.8977       125.4432 78.11871 3.313282 81.25075 6.381422 -3.132042      7.190298 
1 1 1 53  9  3  o 44.29443 5.490965 234.8987       46.58177 225.5452       52.01108 272.8138       104.7169 42.92322 5.008426 45.66565 9.773354 -2.742424      10.98193 
1 1 1 53  9  4  o 97.25053 3.388412 1125.666       65.11208 1102.125       73.01189 1217.133       143.9170 95.18388 3.170501 99.31718 5.989430 -4.133293      6.776824 
1 1 1 53  9  5  o 72.60723 4.300470 703.1547       57.38813 734.8134       64.06885 574.6580       129.0762 77.64570 3.410572 67.56876 7.895833 10.07693       8.600941 
1 1 1 53  9  6  o 30.71180 5.484317 153.8452       47.99583 205.1351       53.19184 -70.87448      111.3396 40.72637 5.398424 20.69722 9.548192 20.02915       10.96863 
1 1 1 53  9  7  o 52.16521 6.183541 438.4659       54.15262 486.2710       60.36118 241.2850       122.5895 62.94420 3.963690 41.38621 11.71469 21.55799       12.36708 
1 1 1 53  9  8  o 46.43719 6.162724 233.6808       51.62451 207.2742       55.96410 384.4140       133.7082 40.65170 5.690213 52.22269 10.93335 -11.57100      12.32545 
1 1 1 53  9  9  o 37.01374 6.268907 239.8246       56.05360 286.1781       62.13503 37.19215       129.9120 47.67732 5.386695 26.35015 11.32167 21.32716       12.53781 
1 1 1 53  9  10 o 45.82611 6.395568 224.3824       55.08432 181.1811       60.16123 448.4236       137.0038 36.62445 7.045391 55.02777 10.67594 -18.40332      12.79114 
1 1 1 53  9  11 o 23.27742 6.746674 59.88176       58.35020 86.70072       62.78148 -110.2320      158.1176 24.87183 8.587423 21.68301 10.40801 3.188822       13.49335 
1 1 1 53  9  12 f 29.76906 11.68421 162.6413       122.8517 162.6413       122.8517 0.000000       0.000000 29.76906 11.68421 ?        ?        ?              ?        
1 1 1 53  11 0  o 26.50018 6.890501 37.37509       42.87544 20.13399       45.97635 152.4093       118.7587 17.75232 7.090220 35.24805 11.81714 -17.49573      13.78100 
1 1 1 53  11 1  o 110.5736 3.446085 1567.511       75.31645 1626.600       85.75877 1368.233       157.4909 115.7108 3.063390 105.4363 6.173949 10.27451       6.892170 
1 1 1 53  11 2  f 109.5294 3.414868 1491.973       73.87773 1509.810       83.50533 1427.722       158.4856 111.4431 3.097123 107.6156 6.087127 3.827591       6.829735 
1 1 1 53  11 3  o 71.21602 4.208126 618.0749       55.56639 613.5212       61.27777 639.1434       131.8078 70.95152 3.569759 71.48051 7.621687 -0.5289993     8.416252 
1 1 1 53  11 4  o 103.2972 3.524514 1366.519       71.64304 1409.666       81.33398 1217.133       151.3388 107.5993 3.124353 98.99503 6.318799 8.604317       7.049028 
1 1 1 53  11 5  o 65.59865 4.484204 549.3866       56.92366 558.5769       64.04394 514.8126       124.2190 67.55061 3.918740 63.64669 8.066959 3.903927       8.968409 
1 1 1 53  11 6  o 37.65067 7.060678 160.1515       51.61183 142.7230       56.19394 254.1345       130.4923 32.97269 7.242287 42.32866 12.12279 -9.355965      14.12136 
1 1 1 53  11 7  o 23.72208 6.975791 29.73590       52.70351 20.43377       58.20871 72.05235       124.1514 19.05406 7.840905 28.39011 11.53979 -9.336052      13.95158 
1 1 1 53  11 8  o 62.33239 6.483126 595.0737       63.65371 629.0216       69.74165 425.6990       155.7795 71.32830 4.041365 53.33648 12.32035 17.99183       12.96625 
1 1 1 53  11 9  o 20.14896 6.613936 -12.16068      51.70464 -8.059344      55.01952 -43.15289      151.2448 16.16660 7.146765 24.13131 11.13105 -7.964712      13.22787 
1 1 1 53  11 10 o 27.56428 9.793530 108.9822       82.03481 108.9822       82.03481 0.000000       0.000000 27.56428 9.793530 ?        ?        ?              ?        
1 1 1 53  13 0  o 93.58176 3.646117 1079.210       65.46345 1082.315       73.09633 1066.627       147.1403 94.32888 3.202938 92.83465 6.551173 1.494232       7.292234 
1 1 1 53  13 1  o 87.87267 3.791142 943.7890       63.48862 940.0169       70.62853 959.6669       144.9064 87.86755 3.322381 87.87778 6.815631 -0.1023865E-01 7.582284 
1 1 1 53  13 2  o 31.93990 6.579873 141.4516       47.72176 153.9992       52.12418 76.44260       118.6439 34.70038 6.446023 29.17942 11.47291 5.520958       13.15975 
1 1 1 53  13 3  o 124.5612 3.483377 1987.170       85.90854 2050.420       97.76185 1772.754       179.9975 129.7364 3.114620 119.3860 6.231759 10.35042       6.966755 
1 1 1 53  13 4  o 95.21375 3.928940 1227.568       70.37307 1301.957       79.47324 957.4063       151.4537 103.3112 3.179589 87.11625 7.185853 16.19499       7.857880 
1 1 1 53  13 5  o 157.3806 3.591234 2933.084       109.0590 2845.675       121.1204 3307.555       250.6962 152.5821 3.281040 162.1791 6.389259 -9.597031      7.182469 
1 1 1 53  13 6  o 23.69758 6.794610 51.11802       51.85310 65.43293       56.11668 -32.49257      135.6214 23.26656 8.113945 24.12860 10.90095 -0.8620453     13.58922 
1 1 1 53  13 7  o 29.50521 7.579189 115.9478       66.27157 134.1957       74.00732 42.09399       148.8862 31.11808 9.192979 27.89234 12.05262 3.225744       15.15838 
1 1 1 53  13 8  o 25.97503 6.253018 94.96817       57.81199 145.0390       60.82928 -372.5164      185.8677 32.41580 7.841640 19.53427 9.742158 12.88154       12.50604 
1 1 1 53  13 9  o 43.00626 11.44281 296.1333       121.1466 296.1333       121.1466 0.000000       0.000000 43.00626 11.44281 ?        ?        ?              ?        
1 1 1 53  15 0  o 33.03941 6.329854 -18.62919      47.30976 -70.44734      50.20026 392.8614       141.4637 12.21558 5.863813 53.86325 11.21980 -41.64768      12.65971 
1 1 1 53  15 1  o 38.61515 7.075970 152.0117       50.14048 130.8388       53.88260 288.7567       136.9348 31.68497 7.193365 45.54533 12.18741 -13.86037      14.15194 
1 1 1 53  15 2  o 69.14167 4.370093 548.4708       56.94970 521.7596       62.55449 677.8109       137.6507 65.25001 3.962558 73.03333 7.790313 -7.783325      8.740186 
1 1 1 53  15 3  o 70.33426 4.671451 524.2074       59.45870 480.4150       64.21738 787.2695       157.3918 62.49300 4.247358 78.17551 8.321644 -15.68251      9.342901 
1 1 1 53  15 4  o 77.68516 4.786975 687.0692       64.72264 654.6691       69.73348 888.5187       173.8809 72.95826 3.950613 82.41206 8.720848 -9.453796      9.573951 
1 1 1 53  15 5  o 43.84744 7.431746 231.9566       59.46130 215.7141       64.11454 331.8263       158.9814 41.18611 6.434331 46.50878 13.39861 -5.322666      14.86349 
1 1 1 53  15 6  o 26.37176 9.407674 88.61833       75.77084 88.61833       75.77084 0.000000       0.000000 26.37176 9.407674 ?        ?        ?              ?        
1 1 1 53  17 0  o 101.0652 2.942268 1253.455       71.82653 1221.693       98.34639 1289.764       105.1508 99.72761 4.076061 102.4027 4.244229 -2.675102      5.884535 
1 1 1 53  17 1  o 24.54496 6.191245 66.24818       48.04198 32.95594       67.04936 101.3735       68.87047 21.17617 8.525179 27.91374 8.980388 -6.737574      12.38249 
1 1 1 53  17 2  o 55.38939 6.282854 300.5148       71.09467 201.8553       79.63692 687.8049       157.7841 38.58027 8.735082 72.19850 9.033014 -33.61823      12.56571 
1 1 1 53  17 3  o 50.77157 7.413247 380.7162       62.00034 389.3578       66.64838 325.1636       168.9840 55.89664 4.928351 45.64650 13.98343 10.25014       14.82649 
1 1 1 54  0  0  o 273.3635 3.800136 9076.436       355.1225 9076.436       355.1225 9076.436       355.1225 273.3635 5.374204 273.3635 5.374204 0.000000       0.000000 
1 1 1 54  0  1  o 265.6690 3.714896 8574.611       337.3817 8574.611       337.3817 8574.611       337.3817 265.6690 5.253656 265.6690 5.253656 0.000000       0.000000 
1 1 1 54  0  2  o 93.01510 2.636395 1053.533       83.59743 1053.533       83.59743 1053.533       83.59743 93.01510 3.728426 93.01510 3.728426 0.000000       0.000000 
1 1 1 54  0  3  o 47.99481 3.978509 291.2642       62.98418 291.2642       62.98418 291.2642       62.98418 47.99481 5.626461 47.99481 5.626461 0.000000       0.000000 
1 1 1 54  0  4  o 107.9215 2.504570 1416.960       92.25657 1416.960       92.25657 1416.960       92.25657 107.9215 3.541997 107.9215 3.541997 0.000000       0.000000 
1 1 1 54  0  5  f 58.36076 3.279045 421.8633       64.52558 421.8633       64.52558 421.8633       64.52558 58.36076 4.637269 58.36076 4.637269 0.000000       0.000000 
1 1 1 54  0  6  o 62.40293 3.238736 481.4791       68.29466 481.4791       68.29466 481.4791       68.29466 62.40293 4.580265 62.40293 4.580265 0.000000       0.000000 
1 1 1 54  0  7  o 50.87630 3.975245 327.7201       67.04068 327.7201       67.04068 327.7201       67.04068 50.87630 5.621845 50.87630 5.621845 0.000000       0.000000 
1 1 1 54  0  8  o 21.55154 7.386877 86.26129       63.64166 86.26129       63.64166 86.26129       63.64166 21.55154 10.44662 21.55154 10.44662 0.000000       0.000000 
1 1 1 54  0  9  o 16.52526 6.805568 43.87846       63.57499 43.87846       63.57499 43.87846       63.57499 16.52526 9.624527 16.52526 9.624527 0.000000       0.000000 
1 1 1 54  0  10 o 52.40507 4.244544 352.7505       73.52171 352.7505       73.52171 352.7505       73.52171 52.40507 6.002692 52.40507 6.002692 0.000000       0.000000 
1 1 1 54  0  11 f 18.58172 7.478800 63.91210       74.18822 63.91210       74.18822 63.91210       74.18822 18.58172 10.57662 18.58172 10.57662 0.000000       0.000000 
1 1 1 54  0  12 o 63.81815 4.117095 524.2852       88.17795 524.2852       88.17795 524.2852       88.17795 63.81815 5.822451 63.81815 5.822451 0.000000       0.000000 
1 1 1 54  2  0  o 172.4824 3.316061 3723.276       122.2316 3856.227       144.0466 3381.321       231.0156 178.3392 3.338519 166.6257 5.730561 11.71350       6.632122 
1 1 1 54  2  1  o 85.57496 3.390698 962.2832       58.80994 1034.313       68.36058 757.1684       115.3578 92.36775 3.059025 78.78217 6.052247 13.58559       6.781396 
1 1 1 54  2  2  o 31.12350 5.602000 76.06840       40.31421 31.21740       45.52174 239.1434       86.80134 18.93905 7.195954 43.30795 8.587656 -24.36890      11.20400 
1 1 1 54  2  3  o 38.93475 5.504988 214.7335       42.47761 235.6774       48.51833 145.9845       87.90434 43.98833 4.558963 33.88118 10.02175 10.10715       11.00998 
1 1 1 54  2  4  o 36.53227 5.442856 207.9948       43.71540 256.6528       51.30854 79.11958       83.50203 45.86222 4.624154 27.20232 9.854741 18.65990       10.88571 
1 1 1 54  2  5  o 51.69189 4.943743 365.7194       48.53119 393.0361       55.86923 281.7371       97.96085 56.76764 4.067893 46.61613 9.011916 10.15151       9.887486 
1 1 1 54  2  6  o 74.24469 3.628236 669.5042       56.21409 661.8985       64.66217 693.0399       113.7485 73.68026 3.627412 74.80911 6.284765 -1.128853      7.256472 
1 1 1 54  2  7  o 53.08529 4.434298 303.2120       50.45329 256.0988       57.50280 460.7971       105.1660 45.56643 5.216050 60.60415 7.172503 -15.03771      8.868595 
1 1 1 54  2  8  o 43.84721 5.625616 230.6951       47.88853 217.0074       53.55466 285.3064       106.9730 41.83744 5.290904 45.85698 9.929581 -4.019535      11.25123 
1 1 1 54  2  9  o 55.06870 5.402775 441.9767       51.58499 473.6646       57.88980 319.8096       113.6665 62.06451 3.855284 48.07289 10.09439 13.99162       10.80555 
1 1 1 54  2  10 o 17.68274 5.310162 -6.763380      43.12116 -63.60440      63.44518 42.03586       58.78604 14.49531 6.853661 20.87016 8.112867 -6.374855      10.62032 
1 1 1 54  2  11 o 50.20588 4.811599 330.7795       57.80139 273.5888       80.36546 392.0683       83.19496 45.40036 7.316576 55.01139 6.250894 -9.611031      9.623199 
1 1 1 54  2  12 o 22.76094 6.426803 54.59089       54.72378 89.11285       78.50922 21.96784       76.31944 25.37796 9.492064 20.14392 8.666943 5.234041       12.85361 
1 1 1 54  4  0  o 82.66977 3.291846 823.3546       56.39444 816.5164       64.65907 845.0922       115.2831 82.06035 3.256820 83.27920 5.721723 -1.218849      6.583692 
1 1 1 54  4  1  o 59.64071 4.005905 445.0732       47.81269 454.4351       54.43069 413.4444       100.0474 61.18773 3.676861 58.09368 7.118272 3.094051       8.011810 
1 1 1 54  4  2  o 42.44372 5.639225 254.9292       45.30643 276.4835       51.26995 178.1083       96.79120 47.66795 4.445638 37.21949 10.36532 10.44846       11.27845 
1 1 1 54  4  3  o 120.2793 3.044132 1786.499       76.56147 1811.923       88.68008 1712.076       151.7227 122.1887 2.999803 118.3699 5.297939 3.818825       6.088265 
1 1 1 54  4  4  o 62.82079 4.191218 526.5529       50.63402 559.1099       57.54995 414.9911       106.5321 67.80190 3.508332 57.83968 7.612939 9.962219       8.382437 
1 1 1 54  4  5  o 78.51678 3.496565 763.0110       56.07455 769.8438       64.18627 740.9875       115.2363 79.54047 3.335429 77.49309 6.146445 2.047379       6.993131 
1 1 1 54  4  6  o 27.61734 6.233315 62.08793       43.98284 27.11673       50.34079 174.8959       90.41376 18.94292 7.465237 36.29176 9.984344 -17.34885      12.46663 
1 1 1 54  4  7  o 66.81613 4.292942 565.0215       54.93538 571.7773       61.50523 538.3701       122.1615 68.39182 3.717111 65.24045 7.739540 3.151367       8.585884 
1 1 1 54  4  8  o 28.51871 6.733258 104.2973       47.68097 111.6788       52.23310 67.40036       116.7806 29.09874 7.401920 27.93867 11.24983 1.160072       13.46652 
1 1 1 54  4  9  o 82.74638 3.844430 857.7267       61.45778 858.4888       68.82809 854.7294       136.5058 83.67895 3.399751 81.81381 6.896395 1.865135       7.688860 
1 1 1 54  4  10 o 23.21418 6.819355 28.08367       49.54713 15.19840       54.51620 89.25640       118.7840 17.95676 7.505771 28.47161 11.38762 -10.51485      13.63871 
1 1 1 54  4  11 o 47.16851 6.304340 217.2746       58.42398 154.1431       63.95301 535.7526       143.6408 33.10016 8.060983 61.23686 9.695329 -28.13670      12.60868 
1 1 1 54  4  12 o 15.96611 5.559365 -89.67950      56.89980 -70.02639      62.42452 -186.1987      138.3395 13.65956 6.552167 18.27267 8.983055 -4.613115      11.11873 
1 1 1 54  6  0  o 213.0998 3.709633 5637.528       167.5617 5757.348       195.8220 5309.935       323.7909 217.7778 3.716599 208.4218 6.421245 9.356003       7.419265 
1 1 1 54  6  1  o 26.05301 6.180093 47.72895       39.80843 23.60113       44.34989 147.7692       90.30688 17.93295 7.025684 34.17307 10.16927 -16.24011      12.36019 
1 1 1 54  6  2  o 44.34632 5.364048 235.8241       45.90417 227.8167       51.46550 266.9839       101.5236 43.21640 4.922269 45.47625 9.532225 -2.259857      10.72810 
1 1 1 54  6  3  o 47.52673 4.985166 280.9263       44.54874 279.5073       49.90175 286.4961       98.86676 47.88564 4.307330 47.16782 8.991908 0.7178154      9.970331 
1 1 1 54  6  4  o 40.32857 5.628977 186.8800       43.87445 173.7460       48.71366 243.3076       100.9713 37.63421 5.350146 43.02293 9.905427 -5.388718      11.25795 
1 1 1 54  6  5  o 49.68410 5.071350 312.5012       47.11830 313.0367       52.80939 310.4105       104.3422 50.59533 4.314182 48.77287 9.179444 1.822460       10.14270 
1 1 1 54  6  6  o 45.98830 5.811584 271.6742       48.58855 271.3663       53.74359 273.0518       113.6943 47.00196 4.726160 44.97464 10.61892 2.027325       11.62317 
1 1 1 54  6  7  o 52.68120 5.360682 364.3633       51.45797 369.8871       57.47755 342.0583       115.5002 54.86914 4.329799 50.49325 9.808185 4.375893       10.72136 
1 1 1 54  6  8  f 58.65180 4.505132 385.4008       51.59383 355.3438       57.02607 520.9994       121.1232 53.66931 4.391826 63.63430 7.867447 -9.964993      9.010264 
1 1 1 54  6  9  o 42.31798 6.590730 184.1099       52.44718 148.1158       57.13333 376.9185       132.2322 33.31364 7.291094 51.32231 10.98139 -18.00866      13.18146 
1 1 1 54  6  10 o 46.49377 6.686565 260.2191       53.94510 241.4834       58.13906 376.2046       144.6557 43.62541 5.508409 49.36214 12.18598 -5.736729      13.37313 
1 1 1 54  6  11 o 37.63758 7.487255 199.4343       56.97157 190.1316       61.73564 252.8257       147.8995 37.23653 7.112106 38.03864 13.17778 -0.8021049     14.97451 
1 1 1 54  6  12 o 25.02670 7.073776 85.93743       58.48856 93.42539       64.56569 51.68352       138.0941 25.12945 8.706758 24.92395 11.15104 0.2055054      14.14755 
1 1 1 54  8  0  o 127.3144 3.211391 2002.887       83.69006 2029.626       95.95778 1917.906       171.0650 129.3394 3.066528 125.2894 5.643450 4.050064       6.422781 
1 1 1 54  8  1  o 19.62678 5.958666 -3.152413      42.14596 -11.28876      47.43277 27.36466       91.86186 15.23981 6.690208 24.01376 9.862247 -8.773949      11.91733 
1 1 1 54  8  2  o 55.07956 4.606528 380.6300       49.30432 385.7745       55.45277 361.2136       107.7292 56.27720 4.072757 53.88192 8.263961 2.395287       9.213056 
1 1 1 54  8  3  o 124.3910 3.278167 1899.829       80.86723 1906.320       91.32848 1876.264       174.0107 125.2573 3.013705 123.5247 5.822636 1.732613       6.556333 
1 1 1 54  8  4  o 110.2137 3.240827 1494.560       71.98809 1500.883       81.83727 1472.933       151.3554 111.0951 3.044765 109.3322 5.721996 1.762939       6.481653 
1 1 1 54  8  5  o 88.58507 3.591848 938.4620       61.26385 921.2476       68.14078 1011.065       139.9391 86.96620 3.238577 90.20394 6.412262 -3.237740      7.183696 
1 1 1 54  8  6  o 60.54708 4.460866 447.9916       53.19335 441.3083       59.72138 473.6466       117.0094 60.00306 4.113904 61.09109 7.916634 -1.088036      8.921732 
1 1 1 54  8  7  o 22.60141 6.735344 15.32484       49.63548 4.495609       54.77367 65.05651       117.3788 17.38723 7.407671 27.81560 11.25104 -10.42837      13.47069 
1 1 1 54  8  8  f 37.16454 7.118389 144.7488       50.90528 119.9045       55.13181 288.3998       132.5696 29.93583 7.598924 44.39325 12.03920 -14.45742      14.23678 
1 1 1 54  8  9  o 70.10793 4.499786 596.9644       60.32912 577.0057       66.86433 684.3546       139.9135 68.26538 4.048477 71.95049 8.037546 -3.685104      8.999573 
1 1 1 54  8  10 o 40.56413 6.698266 266.2847       56.34016 288.1143       62.62364 173.5872       129.0473 47.52243 5.446748 33.60583 12.23928 13.91661       13.39653 
1 1 1 54  8  11 o 24.29887 7.170334 57.94331       56.33542 52.16286       61.72801 86.75789       137.8185 21.31048 8.305244 27.28726 11.69092 -5.976776      14.34067 
1 1 1 54  10 0  o 36.10079 6.548422 159.5483       45.84778 158.6877       49.72788 164.4259       118.3923 35.98168 5.712368 36.21990 11.78542 -0.2382202     13.09684 
1 1 1 54  10 1  o 59.70107 4.415462 420.4285       50.39068 409.2735       55.81445 469.6015       117.1854 57.95790 3.980445 61.44424 7.882975 -3.486340      8.830925 
1 1 1 54  10 2  o 74.97797 3.885412 749.9212       56.84736 799.6801       65.01951 588.4593       117.1232 81.07752 3.314675 68.87842 7.028418 12.19910       7.770825 
1 1 1 54  10 3  o 32.66415 6.192574 147.5809       46.27332 162.5190       51.72387 87.69780       103.5607 36.28683 5.891685 29.04148 10.89403 7.245358       12.38515 
1 1 1 54  10 4  f 56.94704 4.984201 409.9829       52.32089 412.7634       57.85596 397.5015       122.5791 58.08585 4.116949 55.80825 9.078534 2.277599       9.968403 
1 1 1 54  10 5  o 97.97989 3.550450 1199.815       69.34464 1212.557       78.66161 1155.384       146.8920 99.70736 3.260869 96.25242 6.307893 3.454941       7.100900 
1 1 1 54  10 6  o 44.27402 6.417563 263.5165       52.31059 266.1366       57.63921 251.2790       124.5670 46.34156 5.140970 42.20648 11.76057 4.135078       12.83513 
1 1 1 54  10 7  o 22.53252 6.769488 21.58976       50.30478 16.80292       55.20702 45.00892       122.1113 18.36669 7.604531 26.69836 11.20156 -8.331675      13.53898 
1 1 1 54  10 8  o 69.57693 5.198364 659.2072       62.20991 675.2468       68.13430 578.8221       152.5308 73.99013 3.806183 65.16374 9.674963 8.826385       10.39673 
1 1 1 54  10 9  o 18.51098 6.179928 -28.53129      50.96829 -17.42439      54.56996 -104.4378      142.6583 15.47633 6.960439 21.54563 10.21364 -6.069306      12.35986 
1 1 1 54  10 10 o 18.73529 8.451376 -14.15525      81.15653 -14.15525      81.15653 0.000000       0.000000 18.73529 8.451376 ?        ?        ?              ?        
1 1 1 54  12 0  o 92.92861 3.838010 1094.442       65.58714 1113.919       72.61713 1008.209       152.7988 95.71416 3.135888 90.14307 7.006247 5.571091       7.676020 
1 1 1 54  12 1  o 67.09911 4.293483 490.6617       54.04791 456.6902       59.03501 666.6270       134.3587 61.16483 3.989382 73.03339 7.604001 -11.86857      8.586967 
1 1 1 54  12 2  o 86.39813 3.804945 893.0789       62.52146 877.0656       69.27934 963.3551       145.1338 84.84346 3.375072 87.95280 6.820506 -3.109337      7.609889 
1 1 1 54  12 3  o 32.05217 6.915749 132.4918       48.10241 136.8780       51.93155 105.9964       127.6362 32.53866 6.815087 31.56569 12.03598 0.9729767      13.83150 
1 1 1 54  12 4  o 73.94012 4.256804 668.7390       58.94107 661.7223       65.16489 700.2974       138.1996 73.56043 3.661568 74.31982 7.685990 -0.7593918     8.513608 
1 1 1 54  12 5  o 33.53366 7.260866 121.3441       50.80714 104.1309       55.33492 213.8013       128.2443 28.08796 7.842585 38.97935 12.22189 -10.89140      14.52173 
1 1 1 54  12 6  o 33.04375 7.498591 138.4361       54.15991 136.7978       58.31418 148.7210       146.1096 31.99958 7.638221 34.08793 12.90632 -2.088352      14.99718 
1 1 1 54  12 7  o 20.97412 6.861175 -73.41146      58.27399 -100.3809      63.65028 66.30577       144.8735 13.10232 6.365043 28.84591 12.15685 -15.74359      13.72235 
1 1 1 54  12 8  o 32.39839 7.558428 152.3653       58.07994 160.1003       61.83576 94.43189       169.2293 34.19069 7.664767 30.60610 13.02961 3.584593       15.11686 
1 1 1 54  12 9  o 31.05202 11.55637 146.4604       116.0850 146.4604       116.0850 0.000000       0.000000 31.05202 11.55637 ?        ?        ?              ?        
1 1 1 54  14 0  o 51.02522 6.393085 372.0887       54.35564 388.6129       59.40469 287.0910       134.7301 56.32368 4.359407 45.72677 12.02006 10.59691       12.78617 
1 1 1 54  14 1  o 43.52280 6.822648 225.8241       52.18074 216.5149       56.18516 284.2356       140.7394 41.84324 5.550013 45.20236 12.46561 -3.359119      13.64530 
1 1 1 54  14 2  o 81.32471 4.491199 897.9974       64.55486 938.2887       71.40339 717.6681       151.0589 87.67482 3.366213 74.97461 8.327790 12.70021       8.982398 
1 1 1 54  14 3  o 22.52731 6.767015 26.09485       49.83850 29.69909       54.08039 5.785842       128.3741 19.50822 7.721786 25.54641 11.11503 -6.038191      13.53403 
1 1 1 54  14 4  o 60.22121 6.638336 576.6843       60.64037 617.3739       66.04707 358.2391       153.0322 70.89867 3.850465 49.54375 12.70606 21.35492       13.27667 
1 1 1 54  14 5  o 75.81775 4.955649 727.1720       64.82910 723.4459       70.41827 747.8882       166.0419 76.67530 3.796011 74.96021 9.155553 1.715096       9.911299 
1 1 1 54  14 6  o 30.02136 7.157094 127.9801       56.74483 143.2666       61.65337 43.28376       145.1224 32.41576 7.927235 27.62696 11.91868 4.788809       14.31419 
1 1 1 54  14 7  o 31.55062 11.85115 140.6306       122.6373 140.6306       122.6373 0.000000       0.000000 31.55062 11.85115 ?        ?        ?              ?        
1 1 1 54  16 0  o 80.92230 4.485528 835.8997       62.62942 843.3617       68.19713 795.7169       158.2553 83.08001 3.392870 78.76460 8.304715 4.315407       8.971057 
1 1 1 54  16 1  o 36.69266 6.340358 237.9912       53.92675 276.9244       57.89565 -17.12076      148.2009 47.27346 5.062048 26.11187 11.62653 21.16159       12.68072 
1 1 1 54  16 2  f 33.14383 6.458763 174.9136       56.30535 210.9400       61.26082 -21.13028      142.9055 40.94382 6.184322 25.34384 11.34093 15.59998       12.91753 
1 1 1 54  16 3  o 93.61993 4.463114 1151.463       74.31601 1174.136       81.78248 1044.021       178.0269 97.83481 3.455132 89.40504 8.230408 8.429764       8.926228 
1 1 1 54  16 4  o 32.40240 9.501877 146.4510       79.32349 146.4510       79.32349 0.000000       0.000000 32.40240 9.501877 ?        ?        ?              ?        
1 1 1 54  18 0  o 35.92274 5.777704 172.8058       49.38067 135.6603       67.49252 215.5957       72.43922 31.57986 8.601030 40.26562 7.716848 -8.685755      11.55541 
1 1 1 55  1  0  o 180.4230 3.410852 4111.727       132.3147 4313.993       157.1008 3618.084       245.4270 188.5876 3.443205 172.2585 5.888971 16.32913       6.821703 
1 1 1 55  1  1  o 18.55903 4.971619 6.258356       39.09509 67.44968       47.74951 -118.1797      68.09270 23.60773 7.465297 13.51032 6.567900 10.09741       9.943237 
1 1 1 55  1  2  o 108.4493 3.035175 1352.277       66.76325 1291.629       75.21229 1577.632       144.9826 103.1865 3.012753 113.7120 5.269958 -10.52550      6.070350 
1 1 1 55  1  3  o 48.90156 4.198704 294.7438       44.44743 296.8466       52.40210 289.3516       83.91418 49.35906 4.388130 48.44405 7.159664 0.9150047      8.397408 
1 1 1 55  1  4  o 35.51505 5.659784 159.3829       43.28847 159.4080       50.18128 159.3099       85.58158 36.03003 5.756716 35.00007 9.746428 1.029964       11.31957 
1 1 1 55  1  5  o 32.73942 6.021158 138.2742       42.98616 139.5572       48.97282 133.9679       89.72109 33.07767 6.350411 32.40117 10.23180 0.6765060      12.04232 
1 1 1 55  1  6  o 85.58353 3.301924 880.4406       58.45867 863.9177       66.84045 934.2059       120.5719 84.21367 3.280609 86.95339 5.731355 -2.739723      6.603849 
1 1 1 55  1  7  o 17.36552 5.091301 -10.27083      39.22668 -67.06416      55.31905 47.16703       55.63207 13.23744 6.299749 21.49360 7.999910 -8.256164      10.18260 
1 1 1 55  1  8  o 73.13601 3.080427 658.4977       54.48264 643.2365       75.70436 674.8945       78.47024 72.26561 4.329990 74.00641 4.382615 -1.740799      6.160854 
1 1 1 55  1  9  o 106.1043 2.774275 1387.339       71.20831 1399.789       100.2221 1374.646       101.1924 106.6036 3.885881 105.6051 3.960597 0.9984360      5.548549 
1 1 1 55  1  10 o 39.94344 5.490089 216.1103       51.13847 206.8235       71.85770 225.6404       72.79281 38.98724 7.888983 40.89963 7.637295 -1.912388      10.98018 
1 1 1 55  1  11 o 28.19737 6.694594 113.2335       54.33217 132.1940       77.12226 94.55075       76.55546 30.06178 9.485521 26.33296 9.449616 3.728813       13.38919 
1 1 1 55  1  12 o 21.57632 6.392006 42.84181       56.28821 54.00679       79.29074 31.49889       79.92010 22.32204 9.164479 20.83060 8.913095 1.491440       12.78401 
1 1 1 55  3  0  o 36.80903 5.838774 192.0875       44.25225 211.7025       49.98594 120.9994       95.15968 41.71097 4.953307 31.90708 10.57496 9.803888       11.67755 
1 1 1 55  3  1  o 101.6055 3.023332 1271.288       64.88937 1288.823       75.53383 1221.892       126.7750 103.0879 3.028526 100.1230 5.233562 2.964905       6.046664 
1 1 1 55  3  2  o 19.85163 5.663815 24.33247       41.10545 45.43278       47.26396 -41.17787      83.27998 20.75628 7.427395 18.94698 8.552719 1.809296       11.32763 
1 1 1 55  3  3  o 50.18028 4.476199 311.1879       45.56566 312.7080       51.96019 306.1273       94.80779 50.66329 4.239113 49.69728 7.885134 0.9660072      8.952397 
1 1 1 55  3  4  o 65.49644 3.720652 487.3521       50.21926 455.7094       56.76495 601.3088       107.7242 61.16300 3.836093 69.82989 6.376314 -8.666885      7.441303 
1 1 1 55  3  5  o 51.32529 4.371452 308.4240       48.07069 290.0906       55.50095 363.4741       96.17421 48.66295 4.714109 53.98764 7.363122 -5.324692      8.742905 
1 1 1 55  3  6  o 27.44744 5.895319 106.0221       46.78099 141.8447       53.05921 -19.04819      99.14242 33.15567 6.841518 21.73920 9.602749 11.41647       11.79064 
1 1 1 55  3  7  o 24.51111 6.513894 16.67981       47.24102 -17.60941      53.10625 146.6984       103.4117 15.58029 6.946861 33.44194 11.02109 -17.86164      13.02779 
1 1 1 55  3  8  o 74.49577 4.112866 703.9125       58.70301 710.7012       65.71494 677.0970       130.6062 76.16320 3.566290 72.82835 7.412439 3.334846       8.225733 
1 1 1 55  3  9  o 38.32288 5.826532 279.7308       49.94076 333.4806       54.71014 11.14575       122.2983 51.89251 4.357735 24.75325 10.80759 27.13926       11.65306 
1 1 1 55  3  10 o 100.7958 3.650847 1185.343       71.79236 1123.376       79.71242 1451.517       165.2064 95.47138 3.451044 106.1201 6.434675 -10.64875      7.301695 
1 1 1 55  3  11 f 30.19771 7.894903 120.7092       69.27173 97.43034       80.78515 185.3659       134.6348 26.61260 9.685128 33.78282 12.47062 -7.170219      15.78981 
1 1 1 55  3  12 o 25.59766 6.729451 96.24657       55.71698 106.3482       79.81223 86.64371       77.81707 26.47714 9.628035 24.71818 9.404413 1.758959       13.45890 
1 1 1 55  5  0  o 141.4330 3.200486 2475.577       93.67867 2516.681       108.0317 2350.981       188.0860 144.0491 3.099832 138.8168 5.600312 5.232315       6.400972 
1 1 1 55  5  1  o 121.9430 3.089759 1848.249       78.26760 1887.017       90.52777 1733.492       155.7526 124.7212 3.000125 119.1648 5.402379 5.556358       6.179519 
1 1 1 55  5  2  o 33.38933 5.509142 110.4062       40.13318 72.20789       45.95364 233.1945       82.39035 24.09093 7.273590 42.68773 8.276321 -18.59681      11.01828 
1 1 1 55  5  3  o 75.02486 3.836515 718.5871       56.32030 740.7953       63.78153 639.9762       119.9996 78.06009 3.377253 71.98962 6.889816 6.070473       7.673030 
1 1 1 55  5  4  o 62.91869 4.061038 509.6004       50.74832 528.5377       57.90465 446.8769       105.3826 65.87447 3.633239 59.96291 7.264137 5.911568       8.122076 
1 1 1 55  5  5  o 140.1315 3.255127 2407.702       93.26315 2409.039       106.5704 2403.331       192.7385 140.6973 3.130751 139.5657 5.708047 1.131561       6.510254 
1 1 1 55  5  6  o 95.31383 3.697630 1233.535       69.88814 1342.173       80.98901 916.7162       138.3054 104.9474 3.189718 85.68027 6.671999 19.26710       7.395259 
1 1 1 55  5  7  o 58.86694 4.662872 448.1569       53.15088 457.8872       59.92216 412.2546       115.1020 61.08438 4.054665 56.64949 8.398167 4.434887       9.325745 
1 1 1 55  5  8  o 32.83646 6.685062 112.5805       47.50014 84.85365       52.91645 227.6026       107.7782 25.50857 7.826818 40.16436 10.83980 -14.65579      13.37012 
1 1 1 55  5  9  o 23.05638 6.487273 52.74260       48.41354 66.22170       53.23080 -11.77989      116.4630 23.05273 7.910271 23.06003 10.28428 -0.7299423E-02 12.97455 
1 1 1 55  5  10 o 29.51069 7.509074 94.01483       54.54218 75.17050       59.79957 187.2695       133.0280 24.10385 8.377659 34.91752 12.46433 -10.81367      15.01815 
1 1 1 55  5  11 o 29.17308 7.401964 125.0660       58.80051 131.1252       63.94450 91.88579       149.6348 30.03201 8.446679 28.31415 12.15771 1.717859       14.80393 
1 1 1 55  5  12 o 19.73159 8.755396 13.47628       83.32988 13.47628       83.32988 0.000000       0.000000 19.73159 8.755396 ?        ?        ?              ?        
1 1 1 55  7  0  o 97.06292 3.300144 1081.648       62.88941 1037.954       70.03697 1263.534       142.8961 92.48260 3.130149 101.6432 5.810849 -9.160645      6.600288 
1 1 1 55  7  1  o 86.75607 3.299785 830.0478       56.40674 773.5496       62.57000 1075.193       130.3350 79.81041 3.240443 93.70174 5.749249 -13.89133      6.599571 
1 1 1 55  7  2  o 68.14993 3.845523 609.3125       51.22013 642.0293       58.37316 499.8215       106.7866 72.67903 3.319722 63.62082 6.937697 9.058216       7.691047 
1 1 1 55  7  3  o 66.34325 3.973917 546.2565       52.01045 550.3420       58.70685 531.3504       112.1375 67.23009 3.609298 65.45641 7.081032 1.773682       7.947833 
1 1 1 55  7  4  o 110.8777 3.404875 1607.440       75.22411 1696.580       86.38486 1327.781       153.0084 118.1115 3.023036 103.6439 6.101962 14.46764       6.809749 
1 1 1 55  7  5  o 159.8258 3.361490 3208.107       112.2067 3282.428       130.2842 2994.646       220.7977 164.1253 3.281058 155.5263 5.867975 8.598938       6.722980 
1 1 1 55  7  6  o 180.3947 3.562412 4106.736       134.1967 4201.675       155.8585 3834.622       263.8667 185.4674 3.473446 175.3220 6.220795 10.14539       7.124824 
1 1 1 55  7  7  o 127.6490 3.391958 1984.479       86.39339 1960.717       97.49108 2071.386       186.4476 126.6858 3.180786 128.6122 5.992005 -1.926369      6.783917 
1 1 1 55  7  8  o 35.65762 6.700612 180.0998       51.05111 188.1515       56.01685 140.6306       124.0229 38.61516 5.995957 32.70008 11.98504 5.915077       13.40122 
1 1 1 55  7  9  o 27.52252 6.632972 107.0662       52.67852 129.5366       58.15217 4.278406       124.3744 30.79205 7.797776 24.25299 10.73219 6.539064       13.26594 
1 1 1 55  7  10 o 20.34524 6.505301 -9.768061      52.41281 -18.87302      57.79819 32.37359       124.3458 15.77001 7.121268 24.92046 10.88868 -9.150452      13.01060 
1 1 1 55  7  11 o 32.14634 9.483595 159.6102       78.80865 159.6102       78.80865 0.000000       0.000000 32.14634 9.483595 ?        ?        ?              ?        
1 1 1 55  9  0  o 72.31149 4.004573 622.9599       54.41900 612.7105       60.08776 669.7204       128.3444 70.99209 3.498434 73.63091 7.204677 -2.638817      8.009146 
1 1 1 55  9  1  o 72.34400 3.761743 574.3470       53.52282 531.8289       59.28266 761.8085       124.4790 66.09795 3.707126 78.59005 6.546758 -12.49210      7.523485 
1 1 1 55  9  2  f 29.23968 6.670383 97.73721       44.37219 94.47446       48.76664 113.4325       106.9587 27.11039 7.280917 31.36897 11.17874 -4.258579      13.34077 
1 1 1 55  9  3  o 138.6599 3.305997 2436.019       93.92049 2513.214       108.3238 2202.260       188.5014 143.7271 3.115180 133.5927 5.832163 10.13437       6.611994 
1 1 1 55  9  4  o 54.93274 4.522467 348.1292       49.66932 328.7541       55.56992 425.1042       110.7621 51.78913 4.435053 58.07634 7.882965 -6.287212      9.044934 
1 1 1 55  9  5  o 48.45795 6.260000 355.1633       51.15955 379.7948       56.18166 235.5741       123.7927 55.65271 4.172592 41.26319 11.80423 14.38952       12.52000 
1 1 1 55  9  6  o 64.26332 4.291233 508.9796       54.23211 503.3665       60.92517 530.3986       119.0132 64.04475 3.931976 64.48188 7.628779 -0.4371262     8.582465 
1 1 1 55  9  7  o 65.10123 4.761190 524.8356       57.49405 516.9577       63.39616 561.3326       136.4541 64.77549 4.045292 65.42696 8.620402 -0.6514740     9.522380 
1 1 1 55  9  8  o 75.19267 4.787190 769.4475       64.59532 794.9990       71.59359 657.5848       149.7991 80.32159 3.684169 70.06374 8.837175 10.25784       9.574381 
1 1 1 55  9  9  o 30.17394 7.464291 70.14352       53.04882 36.48133       57.53101 261.2731       137.0865 20.01847 7.951470 40.32942 12.63474 -20.31095      14.92858 
1 1 1 55  9  10 o 45.80410 7.160013 283.0045       79.34517 283.0045       79.34517 0.000000       0.000000 45.80410 7.160013 ?        ?        ?              ?        
1 1 1 55  11 0  o 45.67529 6.007663 293.8666       48.86012 309.7535       54.10782 223.6764       113.7310 50.34750 4.442012 41.00307 11.16407 9.344437       12.01533 
1 1 1 55  11 1  o 117.3480 3.361767 1781.012       79.68568 1868.755       91.82381 1513.385       160.3672 123.9626 3.061697 110.7333 5.985977 13.22932       6.723535 
1 1 1 55  11 2  o 30.98415 5.990818 140.3852       47.82408 170.9534       53.76387 24.52112       104.6720 37.17867 5.977153 24.78964 10.38428 12.38902       11.98164 
1 1 1 55  11 3  o 98.56024 3.556506 1199.949       68.81770 1202.886       77.45072 1188.935       149.9923 99.35614 3.222022 97.76435 6.341413 1.591789       7.113012 
1 1 1 55  11 4  o 38.32734 6.663574 196.7363       50.81438 200.5321       55.78203 178.2272       123.1783 40.18462 5.737624 36.47007 12.02882 3.714554       13.32715 
1 1 1 55  11 5  o 27.35662 6.824634 21.74504       49.73194 -18.59764      54.72412 213.0874       119.1796 15.72427 7.028476 38.98897 11.70056 -23.26470      13.64927 
1 1 1 55  11 6  o 58.36299 5.809911 438.5243       58.45829 434.1773       63.99372 460.4402       143.6895 59.25160 4.464110 57.47438 10.72809 1.777225       11.61982 
1 1 1 55  11 7  o 28.56657 7.600695 100.3496       66.02401 110.4136       74.98440 65.62760       139.2794 28.63334 9.382316 28.49979 11.96054 0.1335468      15.20139 
1 1 1 55  11 8  o 50.06181 7.129952 498.0462       62.37590 549.3046       66.88934 156.2165       172.7346 66.44579 4.160899 33.67782 13.63935 32.76797       14.25990 
1 1 1 55  11 9  o 63.63371 8.204418 558.9530       126.3099 558.9530       126.3099 0.000000       0.000000 63.63371 8.204418 ?        ?        ?              ?        
1 1 1 55  13 0  o 48.86209 6.286009 310.3877       51.70149 311.2274       56.09734 305.6514       133.2346 50.37929 4.602438 47.34489 11.69928 3.034397       12.57202 
1 1 1 55  13 1  o 22.16046 6.755738 -11.64741      46.70774 -25.99355      50.28437 78.57228       126.1003 14.59560 6.611893 29.72532 11.78316 -15.12971      13.51148 
1 1 1 55  13 2  o 32.94440 6.516510 160.8831       51.46110 183.8913       55.95664 34.70553       131.0393 38.45330 6.014725 27.43551 11.56212 11.01779       13.03302 
1 1 1 55  13 3  o 121.0371 3.717269 1917.508       86.81910 1994.860       98.20283 1640.690       185.7742 127.8531 3.174757 114.2210 6.722594 13.63203       7.434538 
1 1 1 55  13 4  o 55.40858 6.200106 394.0567       57.80472 389.1935       62.83738 420.8210       147.4120 56.11998 4.628052 54.69717 11.50419 1.422806       12.40021 
1 1 1 55  13 5  o 53.24917 6.393196 389.8192       59.21288 395.2861       65.19610 364.0690       141.4961 56.41621 4.776562 50.08213 11.86070 6.334076       12.78639 
1 1 1 55  13 6  o 43.75055 7.176167 289.0415       58.94350 300.1331       64.08162 228.0785       150.2347 48.83208 5.424078 38.66902 13.28792 10.16306       14.35233 
1 1 1 55  13 7  o 38.77670 9.408755 215.4437       87.37029 215.4437       87.37029 0.000000       0.000000 38.77670 9.408755 ?        ?        ?              ?        
1 1 1 55  15 0  o 71.53876 5.291231 688.3660       62.07851 705.5193       67.26205 589.7680       161.2614 75.94777 3.660604 67.12974 9.929173 8.818031       10.58246 
1 1 1 55  15 1  o 72.97850 4.677021 544.7483       57.89748 501.2852       61.67862 866.9839       167.9425 63.91485 3.988692 82.04214 8.460994 -18.12729      9.354041 
1 1 1 55  15 2  o 37.26146 6.646968 235.4446       56.88273 270.2255       61.33380 21.57049       152.0929 46.57676 5.442875 27.94616 12.12864 18.63060       13.29394 
1 1 1 55  15 3  o 19.81549 6.394668 -6.819160      52.20745 14.90386       55.38063 -180.2498      156.4807 18.22337 7.586660 21.40761 10.29610 -3.184242      12.78934 
1 1 1 55  15 4  o 25.20028 7.406270 32.51780       54.29605 19.19476       58.58917 113.5634       144.5042 18.89781 7.830004 31.50275 12.57388 -12.60494      14.81254 
1 1 1 55  17 0  o 119.7576 2.837763 1765.952       82.22041 1764.274       116.4046 1767.624       116.1503 119.6974 4.019602 119.8177 4.006793 -0.1203079     5.675526 
1 1 1 55  17 1  o 45.86317 7.429774 279.7877       55.51382 276.2138       58.86664 308.5068       166.8743 47.03394 5.173157 44.69242 13.92999 2.341518       14.85955 
1 1 1 56  0  0  o 84.16902 2.759773 864.2052       79.08798 864.2052       79.08798 864.2052       79.08798 84.16902 3.902908 84.16902 3.902908 0.000000       0.000000 
1 1 1 56  0  1  o 33.22495 5.774271 156.4331       56.84175 156.4331       56.84175 156.4331       56.84175 33.22495 8.166053 33.22495 8.166053 0.000000       0.000000 
1 1 1 56  0  2  o 62.28008 4.725057 488.7567       97.75921 488.7567       97.75921 488.7567       97.75921 62.28008 6.682239 62.28008 6.682239 0.000000       0.000000 
1 1 1 56  0  3  o 67.39195 2.749733 556.6219       62.92085 556.6219       62.92085 556.6219       62.92085 67.39195 3.888710 67.39195 3.888710 0.000000       0.000000 
1 1 1 56  0  4  f 12.17569 5.597733 -3.221965      56.04595 -3.221965      56.04595 -3.221965      56.04595 12.17569 7.916390 12.17569 7.916390 0.000000       0.000000 
1 1 1 56  0  5  o 126.8172 2.676477 1959.071       115.8998 1959.071       115.8998 1959.071       115.8998 126.8172 3.785110 126.8172 3.785110 0.000000       0.000000 
1 1 1 56  0  6  o 66.07999 3.372190 540.6232       75.33036 540.6232       75.33036 540.6232       75.33036 66.07999 4.768997 66.07999 4.768997 0.000000       0.000000 
1 1 1 56  0  7  o 63.01589 3.450701 493.7810       73.37413 493.7810       73.37413 493.7810       73.37413 63.01589 4.880028 63.01589 4.880028 0.000000       0.000000 
1 1 1 56  0  8  o 17.58554 6.914955 54.94675       61.56404 54.94675       61.56404 54.94675       61.56404 17.58554 9.779223 17.58554 9.779223 0.000000       0.000000 
1 1 1 56  0  9  f 20.66488 7.465512 81.68473       66.65115 81.68473       66.65115 81.68473       66.65115 20.66488 10.55783 20.66488 10.55783 0.000000       0.000000 
1 1 1 56  0  10 o 24.78410 7.857573 116.2642       71.07970 116.2642       71.07970 116.2642       71.07970 24.78410 11.11229 24.78410 11.11229 0.000000       0.000000 
1 1 1 56  0  11 o 20.36663 7.812229 84.18357       76.49437 84.18357       76.49437 84.18357       76.49437 20.36663 11.04816 20.36663 11.04816 0.000000       0.000000 
1 1 1 56  0  12 o 25.29617 9.319173 147.7692       105.2017 147.7692       105.2017 147.7692       105.2017 25.29617 13.17930 25.29617 13.17930 0.000000       0.000000 
1 1 1 56  2  0  o 75.10615 3.671562 729.0286       54.71822 764.4375       62.57841 614.0392       112.7709 79.38008 3.258447 70.83221 6.580577 8.547867       7.343124 
1 1 1 56  2  1  f 149.9093 3.141720 2746.436       98.74102 2757.849       114.2161 2712.671       196.4547 150.7595 3.131413 149.0590 5.447557 1.700516       6.283441 
1 1 1 56  2  2  f 60.56302 3.581317 440.6853       46.25795 432.8089       53.71413 463.2957       91.00753 59.66308 3.721179 61.46296 6.120143 -1.799877      7.162634 
1 1 1 56  2  3  o 53.56137 4.280797 338.7458       48.40432 325.0019       55.63388 381.5586       98.19086 51.60847 4.455701 55.51427 7.310788 -3.905792      8.561594 
1 1 1 56  2  4  o 152.7587 3.200697 2857.570       102.1619 2862.235       117.9332 2843.546       204.4967 153.4182 3.177290 152.0991 5.557218 1.319122       6.401394 
1 1 1 56  2  5  o 94.13812 3.168447 1083.697       63.61726 1081.963       74.18029 1088.519       123.6940 94.26752 3.252551 94.00872 5.438487 0.2587967      6.336895 
1 1 1 56  2  6  o 79.63554 3.736802 825.9983       60.04809 866.6721       69.20490 702.0821       120.7935 84.29002 3.393582 74.98105 6.658705 9.308975       7.473604 
1 1 1 56  2  7  f 72.42288 3.876747 611.4686       56.55594 581.3999       63.54111 726.1154       124.0733 68.88552 3.812629 75.96024 6.751334 -7.074722      7.753493 
1 1 1 56  2  8  o 28.21721 6.325760 112.4506       47.49120 132.0836       52.86704 30.37478       108.0932 31.62282 7.085694 24.81159 10.48112 6.811235       12.65152 
1 1 1 56  2  9  o 44.58220 4.802240 258.5263       49.88308 209.3593       69.21813 311.6536       71.95191 39.59755 7.499764 49.56684 5.999965 -9.969292      9.604481 
1 1 1 56  2  10 o 17.10722 5.400518 -28.18909      47.76680 -77.63585      67.39191 21.73169       67.71417 14.36918 6.869955 19.84526 8.334633 -5.476080      10.80104 
1 1 1 56  2  11 o 20.28708 6.120237 21.92456       53.41994 41.67803       76.03237 2.667354       75.07121 21.61267 8.934425 18.96149 8.366914 2.651176       12.24047 
1 1 1 56  2  12 o 39.11948 10.92798 265.5562       107.4118 265.5562       107.4118 0.000000       0.000000 39.11948 10.92798 ?        ?        ?              ?        
1 1 1 56  4  0  o 63.13461 4.137010 535.8860       49.94483 573.6765       56.79792 407.0197       104.8843 68.74600 3.414937 57.52322 7.536419 11.22278       8.274020 
1 1 1 56  4  1  o 67.05090 3.538394 500.9652       47.85275 466.5298       53.54915 637.4777       106.6194 61.96685 3.571831 72.13496 6.109251 -10.16811      7.076788 
1 1 1 56  4  2  o 81.10191 3.402224 839.5115       56.56025 875.4564       65.44045 733.3730       112.4514 84.89870 3.185979 77.30511 6.012491 7.593597       6.804448 
1 1 1 56  4  3  o 57.17850 4.024261 359.0527       47.64248 324.3864       53.69028 487.4480       103.3276 51.55929 4.304140 62.79771 6.800961 -11.23843      8.048521 
1 1 1 56  4  4  o 18.59273 5.723127 1.258379       42.45324 11.12348       48.17511 -33.02796      89.81164 17.15113 7.102693 20.03432 8.975996 -2.883192      11.44625 
1 1 1 56  4  5  o 18.32131 5.797146 -55.43707      42.39576 -79.75025      47.21003 45.86555       96.36598 11.28732 5.482959 25.35530 10.21591 -14.06797      11.59429 
1 1 1 56  4  6  o 110.6311 3.236574 1490.909       73.32988 1479.069       83.69070 1530.042       152.1537 110.1583 3.140202 111.1038 5.660457 -0.9454575     6.473147 
1 1 1 56  4  7  o 45.77533 5.863492 300.4295       49.65476 319.3134       55.88548 229.6252       108.2136 50.89002 4.539040 40.66064 10.81292 10.22938       11.72698 
1 1 1 56  4  8  o 19.15959 6.132171 -21.32655      47.49340 -27.85104      52.70155 6.875670       109.5700 14.73610 6.711783 23.58307 10.26480 -8.846974      12.26434 
1 1 1 56  4  9  o 17.61773 5.864137 -38.79286      49.99057 -27.72127      54.96052 -91.83820      120.3010 15.00770 6.842697 20.22775 9.525224 -5.220052      11.72827 
1 1 1 56  4  10 o 24.66336 6.739248 74.03061       53.70584 92.26131       58.96521 -14.70553      130.0901 25.92443 8.306294 23.40229 10.61486 2.522142       13.47850 
1 1 1 56  4  11 o 17.28130 5.948291 -60.90716      54.21765 -53.68300      58.62393 -103.6169      142.5426 13.86515 6.565393 20.69744 9.920902 -6.832284      11.89658 
1 1 1 56  6  0  o 48.69444 4.496806 275.9808       45.67738 262.5240       52.09033 320.7614       95.02364 46.41357 4.638845 50.97531 7.704944 -4.561737      8.993611 
1 1 1 56  6  1  o 35.82165 5.966916 138.1317       43.35234 116.6393       48.48669 223.7954       96.80074 30.19897 6.800015 41.44433 9.806944 -11.24537      11.93383 
1 1 1 56  6  2  o 89.32195 3.514332 1004.322       62.36534 1027.184       70.84896 925.6395       131.4349 91.93719 3.185224 86.70672 6.265499 5.230469       7.028665 
1 1 1 56  6  3  o 89.47809 3.437313 1033.765       60.56549 1077.032       68.96043 887.8049       126.6595 94.13153 3.028047 84.82465 6.171824 9.306877       6.874626 
1 1 1 56  6  4  o 27.10728 5.842417 104.4653       44.11360 133.6903       48.83750 -25.05651      102.8131 32.29402 6.476090 21.92055 9.726027 10.37347       11.68483 
1 1 1 56  6  5  o 95.13304 3.444158 1115.202       65.64945 1116.874       74.42710 1109.340       139.3446 95.73792 3.213252 94.52815 6.092938 1.209770       6.888315 
1 1 1 56  6  6  o 101.4180 3.597847 1327.176       70.62946 1368.710       79.74870 1176.086       152.1030 105.9387 3.111477 96.89722 6.488198 9.041504       7.195693 
1 1 1 56  6  7  o 32.63733 6.946398 118.9671       49.10387 100.7672       54.36858 199.5241       114.3837 27.60119 7.797577 37.67347 11.49815 -10.07228      13.89280 
1 1 1 56  6  8  o 23.64327 6.793961 46.69763       48.92751 47.71168       53.45733 41.46342       121.4512 21.05231 7.840738 26.23423 11.09750 -5.181915      13.58792 
1 1 1 56  6  9  o 27.16119 7.278194 60.37451       52.11293 38.15144       57.12469 170.6127       127.2295 20.23976 7.959974 34.08262 12.18718 -13.84287      14.55639 
1 1 1 56  6  10 o 29.61302 7.010590 131.1105       54.06846 141.9140       58.79624 71.92148       137.6214 31.83342 7.714868 27.39262 11.70787 4.440804       14.02118 
1 1 1 56  6  11 o 21.24858 9.675178 -4.254610      109.4120 -4.254610      109.4120 0.000000       0.000000 21.24858 9.675178 ?        ?        ?              ?        
1 1 1 56  8  0  o 148.9444 3.256487 2722.355       100.0662 2736.437       114.9100 2678.168       203.5531 150.0902 3.164487 147.7986 5.692525 2.291565       6.512973 
1 1 1 56  8  1  o 31.65006 6.374381 113.0051       43.14582 101.6906       48.08121 159.7858       97.76686 28.12768 7.072681 35.17245 10.60698 -7.044769      12.74876 
1 1 1 56  8  2  o 77.70189 3.895784 822.2476       58.44039 889.5346       66.93764 606.5438       119.8488 85.51588 3.235350 69.88789 7.088092 15.62799       7.791568 
1 1 1 56  8  3  o 37.77485 6.145806 128.8241       45.10539 93.21205       49.28589 312.4331       111.9105 26.88726 7.361168 48.66244 9.843624 -21.77518      12.29161 
1 1 1 56  8  4  o 58.30114 4.398898 399.4926       51.14076 383.0644       57.32618 463.5336       113.1845 55.92871 4.236585 60.67356 7.710547 -4.744858      8.797795 
1 1 1 56  8  5  o 77.78546 3.910909 715.8110       58.74891 694.1537       65.25596 808.4474       134.9612 75.36469 3.578904 80.20625 6.955018 -4.841560      7.821817 
1 1 1 56  8  6  o 86.97367 3.738456 933.1474       64.51769 928.3440       72.79307 950.7437       139.3230 87.10597 3.454139 86.84137 6.631224 0.2646027      7.476911 
1 1 1 56  8  7  o 44.36966 6.730369 272.9684       55.11645 276.5309       60.49430 255.5622       133.7188 47.04967 5.314416 41.68965 12.36723 5.360016       13.46074 
1 1 1 56  8  8  o 21.48578 6.566350 23.36919       53.10770 40.07559       57.78754 -67.42416      134.7162 20.57978 8.031547 22.39178 10.39048 -1.812000      13.13270 
1 1 1 56  8  9  o 63.66447 5.475757 528.8488       61.80690 522.6796       67.60410 560.2618       152.5509 64.67042 4.320809 62.65852 10.06311 2.011894       10.95151 
1 1 1 56  8  10 o 66.78188 5.504803 577.3971       88.94112 577.3971       88.94112 0.000000       0.000000 66.78188 5.504803 ?        ?        ?              ?        
1 1 1 56  10 0  o 21.72204 6.208715 36.66495       44.72529 56.07481       48.28040 -80.76145      118.7524 22.03613 7.533959 21.40795 9.870767 0.6281834      12.41743 
1 1 1 56  10 1  o 26.05503 6.474341 2.902605       43.58992 -31.32746      47.31441 195.0030       112.0866 13.77036 6.305282 38.33969 11.30981 -24.56933      12.94868 
1 1 1 56  10 2  o 39.70327 6.259296 233.3449       47.67511 251.8510       52.50749 146.4604       113.7721 45.30391 4.790527 34.10263 11.56573 11.20127       12.51859 
1 1 1 56  10 3  o 92.75957 3.576468 1078.112       65.75173 1092.706       74.47464 1026.532       140.0136 94.69004 3.250887 90.82910 6.371518 3.860939       7.152936 
1 1 1 56  10 4  f 29.59156 6.099666 131.8367       47.91962 161.7432       52.74624 -9.503866      114.6681 35.49591 6.376384 23.68721 10.40026 11.80870       12.19933 
1 1 1 56  10 5  o 37.93959 6.844178 175.3853       50.67005 164.9178       55.44411 228.4355       124.8177 35.66427 6.670924 40.21492 11.95282 -4.550648      13.68836 
1 1 1 56  10 6  o 75.66309 4.509290 783.7712       63.24529 824.9710       71.04395 626.4129       138.8432 81.99136 3.581432 69.33483 8.276963 12.65652       9.018579 
1 1 1 56  10 7  o 64.04997 5.246305 511.9653       70.87804 490.2939       81.63202 578.3463       142.8692 62.44574 5.403255 65.65421 8.994428 -3.208477      10.49261 
1 1 1 56  10 8  o 26.85548 6.648582 103.3533       55.30859 133.1737       59.17039 -102.9863      155.6464 31.05138 7.867004 22.65959 10.72030 8.391790       13.29716 
1 1 1 56  12 0  o 57.67390 5.416137 477.1743       53.70296 511.8631       60.09147 339.5598       119.6881 64.74825 3.836035 50.59957 10.13030 14.14868       10.83227 
1 1 1 56  12 1  o 59.09241 4.732650 404.8384       53.33580 386.8668       58.84454 487.5669       126.2526 56.19074 4.328517 61.99408 8.417591 -5.803345      9.465300 
1 1 1 56  12 2  o 79.17895 4.141837 823.7042       63.00896 857.6364       71.19819 701.1303       135.3200 83.80801 3.511406 74.54988 7.502618 9.258133       8.283674 
1 1 1 56  12 3  o 27.42073 6.554065 100.5148       51.74785 126.6893       56.68888 -30.30339      126.7339 31.00912 7.612441 23.83234 10.67117 7.176779       13.10813 
1 1 1 56  12 4  o 133.2761 3.664868 2194.674       93.65868 2187.589       104.4737 2223.677       211.3797 133.7882 3.227654 132.7640 6.580828 1.024185       7.329737 
1 1 1 56  12 5  o 58.27333 6.242000 487.9813       61.27264 508.1950       67.64460 395.5979       144.6130 64.11629 4.360763 52.43036 11.69761 11.68594       12.48400 
1 1 1 56  12 6  o 26.88869 6.809649 96.35538       56.36678 123.8836       61.35272 -52.65913      142.7444 30.12446 8.198757 23.65292 10.87500 6.471540       13.61930 
1 1 1 56  12 7  o 20.46947 8.969412 2.667115       84.90929 2.667115       84.90929 0.000000       0.000000 20.46947 8.969412 ?        ?        ?              ?        
1 1 1 56  14 0  o 93.12253 4.175799 1070.567       68.90633 1067.016       75.21386 1089.114       171.8956 93.50659 3.324707 92.73846 7.661301 0.7681274      8.351599 
1 1 1 56  14 1  o 51.89283 6.387813 320.1233       53.64728 307.7128       57.43062 405.1160       150.2934 49.94685 4.752620 53.83880 11.85872 -3.891953      12.77563 
1 1 1 56  14 2  o 65.94136 5.228691 554.8889       60.81363 555.6740       66.47839 550.8626       150.5532 67.23494 4.086797 64.64777 9.625742 2.587166       10.45738 
1 1 1 56  14 3  f 24.90170 7.278498 51.18378       54.88749 58.59929       58.65922 -0.9804878     155.5794 22.73567 8.256167 27.06773 11.98924 -4.332060      14.55700 
1 1 1 56  14 4  o 96.53342 4.348521 1200.163       75.62214 1211.458       83.24400 1146.817       180.9070 99.33556 3.463745 93.73129 7.977532 5.604271       8.697042 
1 1 1 56  14 5  o 61.42499 8.299472 501.7252       123.3383 501.7252       123.3383 0.000000       0.000000 61.42499 8.299472 ?        ?        ?              ?        
1 1 1 56  16 0  o 45.18409 7.261220 227.7968       54.84473 210.4315       58.28105 362.1654       162.1194 40.97141 5.879550 49.39677 13.27901 -8.425362      14.52244 
1 1 1 56  16 1  o 114.9693 3.998435 1576.292       82.00801 1538.302       89.25088 1782.272       207.8198 112.0770 3.291500 117.8615 7.288070 -5.784561      7.996871 
1 1 1 56  16 2  o 103.4300 4.247172 1323.436       106.2794 1323.436       106.2794 0.000000       0.000000 103.4300 4.247172 ?        ?        ?              ?        
1 1 1 57  1  0  o 73.02160 3.488229 630.5009       52.69992 613.2653       60.11951 687.6859       109.5074 71.06700 3.496593 74.97620 6.036952 -3.909195      6.976458 
1 1 1 57  1  1  o 29.27903 6.161198 89.92828       40.79767 72.74752       46.14340 151.4575       87.32308 24.18034 7.285901 34.37773 9.937659 -10.19739      12.32240 
1 1 1 57  1  2  o 106.3334 3.045060 1413.246       68.86045 1454.417       80.79916 1303.986       131.6272 109.4378 3.051667 103.2290 5.270378 6.208832       6.090120 
1 1 1 57  1  3  o 113.4623 3.063424 1510.123       71.61641 1457.342       81.41479 1690.660       150.5736 109.5077 3.072957 117.4168 5.300491 -7.909157      6.126848 
1 1 1 57  1  4  o 27.85138 6.165823 96.44978       42.69614 98.36327       49.49696 90.88638       84.39901 27.60370 7.299740 28.09906 9.938978 -0.4953632     12.33165 
1 1 1 57  1  5  o 129.6717 3.124691 2094.981       85.80340 2133.832       100.1919 1988.102       166.1797 132.3815 3.128262 126.9619 5.410060 5.419601       6.249382 
1 1 1 57  1  6  o 119.4310 3.370296 1766.536       90.63876 1784.506       110.0936 1728.733       159.6810 120.7768 3.767700 118.0852 5.589277 2.691658       6.740592 
1 1 1 57  1  7  o 71.87527 3.306348 637.1151       57.42415 683.0381       82.90995 594.7745       79.61053 74.38230 4.607175 69.36825 4.743594 5.014053       6.612696 
1 1 1 57  1  8  o 24.16322 6.133100 68.37730       46.11854 85.10017       64.75334 51.16195       65.69988 25.83482 8.725591 22.49163 8.621120 3.343191       12.26620 
1 1 1 57  1  9  o 41.23612 5.351899 227.7560       51.35000 239.3627       75.19465 217.6132       70.29267 42.19957 7.646622 40.27267 7.490025 1.926899       10.70380 
1 1 1 57  1  10 o 31.70091 6.163246 143.8953       49.10222 165.4436       69.78912 122.7715       69.09811 34.10437 8.490993 29.29746 8.935627 4.806904       12.32649 
1 1 1 57  1  11 o 36.88809 5.999155 200.3080       52.43391 194.7420       74.40502 205.7991       73.90303 36.26459 8.609128 37.51159 8.357174 -1.246998      11.99831 
1 1 1 57  3  0  f 77.67850 3.380090 744.3652       54.85297 753.5020       63.47828 717.4301       108.9904 78.78001 3.330480 76.57698 5.882852 2.203026       6.760180 
1 1 1 57  3  1  o 94.04433 3.170397 1120.295       62.51952 1167.400       73.08530 991.7906       120.7139 98.06143 3.080559 90.02723 5.542186 8.034203       6.340794 
1 1 1 57  3  2  o 19.93181 5.856162 19.42726       39.95116 23.39706       44.93708 4.456871       87.26449 17.93101 7.057415 21.93261 9.347267 -4.001595      11.71232 
1 1 1 57  3  3  o 50.32975 4.226560 279.3334       46.37429 242.2968       53.51757 390.9578       92.90941 44.47498 4.973685 56.18452 6.835034 -11.70954      8.453120 
1 1 1 57  3  4  o 40.16007 5.848445 217.2542       46.95353 226.3985       53.32907 185.7228       99.02872 42.92617 5.134990 37.39397 10.50948 5.532196       11.69689 
1 1 1 57  3  5  o 26.59003 6.642488 57.77583       46.43645 34.36784       52.41082 143.2481       100.1501 19.89137 7.680333 33.28868 10.83988 -13.39731      13.28498 
1 1 1 57  3  6  f 30.33385 6.579090 86.07432       48.17856 50.25400       54.85102 207.0196       100.7893 21.72209 7.969061 38.94562 10.47052 -17.22353      13.15818 
1 1 1 57  3  7  o 33.30717 6.207116 163.8604       49.60252 187.5976       56.19989 80.19036       105.5130 38.68644 6.004465 27.92791 10.86552 10.75853       12.41423 
1 1 1 57  3  8  o 55.62347 5.786922 482.1479       54.84689 533.1085       61.89285 295.7763       118.3622 65.77692 3.889239 45.47003 10.90081 20.30688       11.57384 
1 1 1 57  3  9  o 34.51424 7.220962 151.1740       53.42081 138.2365       58.90886 211.0648       126.7462 31.80218 7.731460 37.22630 12.19810 -5.424120      14.44192 
1 1 1 57  3  10 o 31.80339 7.154018 137.2259       51.25446 131.0549       56.00143 169.0660       127.2073 30.65707 7.590529 32.94971 12.12863 -2.292637      14.30804 
1 1 1 57  3  11 o 28.15369 11.10370 120.5235       111.4504 120.5235       111.4504 0.000000       0.000000 28.15369 11.10370 ?        ?        ?              ?        
1 1 1 57  5  0  o 20.75098 6.090693 10.97820       42.71754 1.581264       48.39666 44.11660       90.88412 16.42837 6.980261 25.07359 9.983092 -8.645224      12.18139 
1 1 1 57  5  1  o 32.92030 5.985755 136.2588       43.15237 134.3175       49.60747 142.2962       87.48237 32.47484 6.540093 33.36576 10.02718 -0.8909187     11.97151 
1 1 1 57  5  2  o 126.4351 3.165748 1980.989       82.21233 2007.586       94.42812 1897.680       167.1215 128.5405 3.036400 124.3297 5.555909 4.210800       6.331497 
1 1 1 57  5  3  o 40.80022 5.953277 209.8260       47.88688 207.5728       53.78545 218.4414       105.1735 41.09167 5.410142 40.50877 10.60643 0.5829010      11.90655 
1 1 1 57  5  4  f 94.57954 3.442763 1164.590       65.12341 1223.974       74.80011 978.5842       132.3824 100.2853 3.082924 88.87379 6.156789 11.41148       6.885526 
1 1 1 57  5  5  o 35.40129 5.899732 206.6034       50.34197 254.4619       56.78359 30.83879       108.8201 45.41484 5.168003 25.38773 10.60750 20.02711       11.79946 
1 1 1 57  5  6  o 62.53992 4.674105 500.9488       56.11779 507.6890       62.94514 474.8364       123.8934 64.31704 4.045143 60.76280 8.427683 3.554237       9.348209 
1 1 1 57  5  7  o 17.26117 5.523752 -24.71348      47.91128 11.27194       53.70966 -164.9018      106.0096 17.72039 7.431554 16.80194 8.174312 0.9184475      11.04750 
1 1 1 57  5  8  o 20.18377 6.284611 3.203307       49.67999 3.553845       55.77992 1.858418       109.2580 17.27715 7.420864 23.09040 10.14476 -5.813257      12.56922 
1 1 1 57  5  9  o 25.00317 7.000284 -16.89016      52.34604 -58.87967      57.08938 204.7591       131.1650 13.64460 6.466140 36.36173 12.41793 -22.71713      14.00057 
1 1 1 57  5  10 o 32.95755 6.230771 190.8169       56.15210 229.4502       61.57846 0.1408685      136.8031 41.92558 6.070822 23.98953 10.88279 17.93604       12.46154 
1 1 1 57  7  0  f 163.8248 3.375578 3327.978       114.1379 3375.312       131.4155 3182.629       230.2831 166.6582 3.259250 160.9914 5.912309 5.666824       6.751156 
1 1 1 57  7  1  o 83.77422 3.762834 940.7925       59.98640 1000.875       67.98887 729.6848       127.4429 90.75063 3.096606 76.79779 6.859061 13.95284       7.525668 
1 1 1 57  7  2  f 62.25928 4.024196 509.8161       49.51273 537.9632       56.69764 419.3932       101.6220 66.46159 3.526078 58.05696 7.234873 8.404621       8.048392 
1 1 1 57  7  3  o 59.58716 4.596229 465.3307       51.88050 482.4293       58.28658 400.1190       113.8283 62.86600 3.832220 56.30831 8.355558 6.557693       9.192457 
1 1 1 57  7  4  o 66.99223 4.062192 491.4686       53.93962 449.4047       59.82175 674.3605       124.7390 60.59442 4.080602 73.39005 7.025262 -12.79564      8.124384 
1 1 1 57  7  5  o 120.4207 3.306248 1777.730       80.94494 1770.720       92.19506 1801.309       169.0909 120.4876 3.162737 120.3538 5.807082 0.1337814      6.612496 
1 1 1 57  7  6  o 56.95801 5.530522 455.8007       55.74813 479.6315       62.50555 363.1172       123.2682 62.43968 4.137668 51.47634 10.25799 10.96334       11.06104 
1 1 1 57  7  7  o 94.68848 3.893012 1080.261       70.76672 1052.783       78.58578 1198.096       162.7383 92.61147 3.507332 96.76548 6.951316 -4.154015      7.786024 
1 1 1 57  7  8  o 25.67564 6.737946 83.00673       52.89849 102.5316       57.91443 -15.28852      129.9448 27.46536 8.137006 23.88593 10.74192 3.579428       13.47589 
1 1 1 57  7  9  o 20.64072 6.124074 25.06133       53.01017 63.03102       57.93408 -170.2558      131.3971 22.59393 8.204935 18.68752 9.093743 3.906410       12.24815 
1 1 1 57  9  0  o 63.57560 4.388279 505.0135       52.80586 509.0654       58.81271 488.1618       119.9394 64.63492 3.760985 62.51628 7.929879 2.118633       8.776559 
1 1 1 57  9  1  o 77.48256 3.769337 729.0754       57.34218 722.7452       64.35066 753.4801       126.3521 77.03448 3.452754 77.93064 6.701499 -0.8961639     7.538673 
1 1 1 57  9  2  o 31.94127 6.747543 115.9846       46.13448 106.1140       50.83781 162.0464       109.8211 28.59970 7.317300 35.28285 11.33907 -6.683155      13.49509 
1 1 1 57  9  3  o 135.4028 3.390101 2337.544       92.88146 2413.332       106.6065 2098.751       189.2331 140.7539 3.130553 130.0516 6.014215 10.70229       6.780203 
1 1 1 57  9  4  o 44.43832 6.106296 296.4850       50.22906 322.3621       56.22328 194.1701       111.7962 51.19150 4.539584 37.68515 11.33753 13.50635       12.21259 
1 1 1 57  9  5  o 94.43033 3.721420 1027.675       65.89958 984.1045       72.35349 1239.738       159.6223 89.71695 3.333364 99.14371 6.654664 -9.426758      7.442840 
1 1 1 57  9  6  o 38.79863 6.038208 268.3699       52.47881 321.6048       58.53749 50.39857       118.4502 50.90822 4.752738 26.68905 11.10186 24.21917       12.07642 
1 1 1 57  9  7  o 82.82010 4.323131 857.1490       68.11525 847.8063       75.75084 896.6091       155.6795 82.91011 3.776397 82.73008 7.777959 0.1800308      8.646261 
1 1 1 57  9  8  o 30.03177 6.220289 151.0341       57.39394 197.5535       61.98788 -128.3760      151.9187 38.42552 6.922451 21.63803 10.33671 16.78749       12.44058 
1 1 1 57  11 0  o 67.08161 4.676874 597.1868       56.48390 619.0010       62.57689 501.2493       131.2318 71.23999 3.630678 62.92323 8.620369 8.316761       9.353747 
1 1 1 57  11 1  o 32.90236 6.708860 94.03147       46.05963 64.27161       50.32846 247.4717       114.2794 23.09023 7.692395 42.71448 10.99374 -19.62425      13.41772 
1 1 1 57  11 2  f 75.10744 3.925531 692.7518       57.88964 688.8061       65.04093 707.7930       126.9887 75.09636 3.579856 75.11853 6.987403 -0.2217102E-01 7.851062 
1 1 1 57  11 3  o 35.35958 6.767005 161.3097       50.47513 158.8245       56.07492 171.9215       115.8733 34.98828 6.869556 35.73088 11.66099 -0.7426033     13.53401 
1 1 1 57  11 4  o 28.66492 7.317414 86.98868       52.37418 79.23558       57.38721 125.6395       128.1318 25.04384 8.207988 32.28601 12.11640 -7.242168      14.63483 
1 1 1 57  11 5  o 86.53925 4.228099 951.5203       68.63152 957.0249       76.28346 928.1380       157.2214 88.30115 3.570769 84.77734 7.665305 3.523811       8.456199 
1 1 1 57  11 6  o 39.30504 6.625196 254.9791       56.97221 287.9563       63.27123 113.6585       130.9791 47.82993 5.467694 30.78014 12.06968 17.04979       13.25039 
1 1 1 57  11 7  o 16.49447 8.150320 -222.0107      118.8980 -222.0107      118.8980 0.000000       0.000000 16.49447 8.150320 ?        ?        ?              ?        
1 1 1 57  13 0  o 81.75668 4.463226 950.6718       63.94580 1020.356       71.23536 661.5110       145.1105 91.47497 3.218778 72.03841 8.325924 19.43656       8.926452 
1 1 1 57  13 1  o 60.91252 4.525460 394.0838       53.02028 354.5698       58.09498 591.0767       129.7144 53.68680 4.472690 68.13824 7.868557 -14.45145      9.050920 
1 1 1 57  13 2  o 74.10635 4.797406 764.4777       64.15171 810.1228       71.70122 581.3207       143.6286 81.32796 3.644050 66.88473 8.875884 14.44324       9.594812 
1 1 1 57  13 3  o 29.62642 7.755325 84.68781       55.31499 73.06353       59.59255 157.0494       148.6836 24.38058 8.369410 34.87225 13.05884 -10.49167      15.51065 
1 1 1 57  13 4  o 91.47012 4.710121 1139.952       75.74381 1180.590       83.55286 952.5283       179.4345 98.05377 3.522043 84.88647 8.737057 13.16730       9.420241 
1 1 1 57  13 5  o 39.20416 8.511455 211.1225       78.41585 211.1225       78.41585 0.000000       0.000000 39.20416 8.511455 ?        ?        ?              ?        
1 1 1 57  15 0  o 50.91685 6.949024 335.3991       55.52990 330.9394       59.20694 367.9952       160.0660 51.72738 4.730967 50.10633 13.06804 1.621040       13.89805 
1 1 1 57  15 1  o 22.93877 7.186426 -3.427679      52.17334 -12.60443      55.59419 64.33076       151.0660 16.19729 7.170978 29.68024 12.45616 -13.48294      14.37285 
1 1 1 57  15 2  o 61.62471 5.596948 464.9351       60.54374 451.8520       65.69997 538.6080       155.9063 60.38536 4.497086 62.86406 10.25083 -2.478699      11.19390 
1 1 1 58  0  0  o 271.2285 3.760405 8954.331       348.6667 8954.331       348.6667 8954.331       348.6667 271.2285 5.318016 271.2285 5.318016 0.000000       0.000000 
1 1 1 58  0  1  o 128.3264 2.579939 2002.304       113.0701 2002.304       113.0701 2002.304       113.0701 128.3264 3.648585 128.3264 3.648585 0.000000       0.000000 
1 1 1 58  0  2  o 107.5098 2.573490 1407.348       94.41880 1407.348       94.41880 1407.348       94.41880 107.5098 3.639464 107.5098 3.639464 0.000000       0.000000 
1 1 1 58  0  3  o 67.80312 3.206549 566.6105       73.62471 566.6105       73.62471 566.6105       73.62471 67.80312 4.534746 67.80312 4.534746 0.000000       0.000000 
1 1 1 58  0  4  o 71.38853 3.080657 626.9825       74.60497 626.9825       74.60497 626.9825       74.60497 71.38853 4.356707 71.38853 4.356707 0.000000       0.000000 
1 1 1 58  0  5  o 9.272450 4.635901 -72.62064      60.00053 -72.62064      60.00053 -72.62064      60.00053 9.272450 6.556155 9.272450 6.556155 0.000000       0.000000 
1 1 1 58  0  6  f 25.77582 7.256368 114.5245       61.86391 114.5245       61.86391 114.5245       61.86391 25.77582 10.26205 25.77582 10.26205 0.000000       0.000000 
1 1 1 58  0  7  o 38.72420 5.864639 209.5880       68.23739 209.5880       68.23739 209.5880       68.23739 38.72420 8.293852 38.72420 8.293852 0.000000       0.000000 
1 1 1 58  0  8  o 24.88461 7.685883 113.6171       68.06982 113.6171       68.06982 113.6171       68.06982 24.88461 10.86948 24.88461 10.86948 0.000000       0.000000 
1 1 1 58  0  9  o 27.12266 7.838178 132.9821       71.63195 132.9821       71.63195 132.9821       71.63195 27.12266 11.08486 27.12266 11.08486 0.000000       0.000000 
1 1 1 58  0  10 f 18.58095 7.336915 66.95402       69.63033 66.95402       69.63033 66.95402       69.63033 18.58095 10.37596 18.58095 10.37596 0.000000       0.000000 
1 1 1 58  2  0  o 41.32642 5.463641 216.3235       46.19218 217.5951       53.30960 212.4926       92.53313 42.20033 5.221404 40.45251 9.599086 1.747818       10.92728 
1 1 1 58  2  1  o 119.5813 2.984480 1771.454       76.52796 1806.451       89.98048 1679.952       145.4951 121.9637 3.049408 117.1990 5.131238 4.764610       5.968961 
1 1 1 58  2  2  o 41.12354 5.694057 244.5079       47.44064 274.9807       55.10828 157.2873       93.23325 47.41428 4.804027 34.83279 10.32523 12.58149       11.38811 
1 1 1 58  2  3  o 47.41611 4.403076 256.1781       45.51001 231.0454       52.75195 329.3278       89.99641 43.39914 5.024063 51.43308 7.232366 -8.033936      8.806152 
1 1 1 58  2  4  o 21.92522 6.210872 19.64310       43.92170 2.226983       50.19847 76.51398       90.71098 16.65817 7.094171 27.19227 10.19669 -10.53409      12.42174 
1 1 1 58  2  5  o 147.6096 3.247333 2578.275       98.12975 2495.201       111.3409 2867.341       207.6937 143.0665 3.216729 152.1528 5.642105 -9.086288      6.494667 
1 1 1 58  2  6  o 25.15903 6.661028 63.47144       47.66759 59.02361       54.02806 79.09578       101.2620 22.57560 7.955673 27.74246 10.68571 -5.166861      13.32206 
1 1 1 58  2  7  o 19.96424 6.141779 -4.517574      47.36564 -16.58474      54.10261 35.08626       98.01312 15.70048 7.005262 24.22800 10.09020 -8.527521      12.28356 
1 1 1 58  2  8  o 63.91051 4.567578 484.4818       64.59702 434.8970       75.68598 617.4896       123.9595 58.86324 5.314580 68.95778 7.430094 -10.09454      9.135156 
1 1 1 58  2  9  o 77.23325 3.332722 750.4135       61.96772 833.3238       87.65174 667.5642       87.61946 81.66822 4.436139 72.79827 4.974818 8.869949       6.665444 
1 1 1 58  2  10 o 24.43135 6.426251 77.69600       50.79373 82.80271       71.65055 72.53688       72.01721 24.89678 9.111922 23.96593 9.064198 0.9308548      12.85250 
1 1 1 58  4  0  o 56.28198 4.585023 422.1630       48.90663 445.7094       55.23485 336.7043       105.2272 60.52814 3.771842 52.03582 8.358406 8.492321       9.170046 
1 1 1 58  4  1  o 63.74575 4.076094 547.3033       49.80960 585.2888       56.68940 418.6794       104.3168 69.37960 3.377285 58.11190 7.419712 11.26770       8.152188 
1 1 1 58  4  2  o 126.1115 3.089707 2008.911       83.01620 2090.107       97.83549 1800.119       156.8860 131.1258 3.083941 121.0972 5.354854 10.02856       6.179413 
1 1 1 58  4  3  o 21.75688 6.271747 15.49593       41.88994 2.950385       46.35632 71.35039       97.81222 16.12406 6.840380 27.38971 10.51420 -11.26564      12.54349 
1 1 1 58  4  4  o 109.7186 3.211817 1529.686       73.18988 1585.488       85.06382 1370.613       143.6222 114.1185 3.080964 105.3187 5.636554 8.799744       6.423635 
1 1 1 58  4  5  o 60.49841 4.490598 466.9428       53.11547 474.6446       59.96870 438.9055       114.4188 62.25000 3.981833 58.74683 8.050273 3.503174       8.981196 
1 1 1 58  4  6  f 88.66989 3.901680 1053.090       66.91964 1113.092       76.16511 849.9703       140.1356 95.43388 3.298763 81.90589 7.071817 13.52799       7.803360 
1 1 1 58  4  7  o 53.93031 4.741304 299.3830       53.69992 237.6213       60.36282 533.7299       117.5816 43.50790 5.734547 64.35273 7.552141 -20.84483      9.482609 
1 1 1 58  4  8  o 28.70671 6.729418 112.0612       49.71220 119.6568       55.50456 81.26115       111.7690 29.70173 7.670525 27.71168 11.05908 1.990057       13.45884 
1 1 1 58  4  9  o 26.01396 6.678497 91.80146       53.11092 112.5833       58.45007 -6.615110      127.1970 28.43194 8.103408 23.59598 10.61810 4.835962       13.35699 
1 1 1 58  4  10 o 32.71573 11.34864 173.2302       109.7080 173.2302       109.7080 0.000000       0.000000 32.71573 11.34864 ?        ?        ?              ?        
1 1 1 58  6  0  o 105.6117 3.187514 1333.650       67.38853 1312.255       76.00826 1412.255       145.6902 103.9382 3.022618 107.2852 5.612909 -3.347031      6.375027 
1 1 1 58  6  1  o 113.5486 3.166798 1530.752       72.39462 1496.045       81.71799 1657.347       156.0696 110.9487 3.044341 116.1485 5.553956 -5.199814      6.333596 
1 1 1 58  6  2  o 27.90655 5.689301 114.7974       44.92020 151.8150       50.17100 -34.80071      100.8583 34.54902 6.231523 21.26408 9.520541 13.28494       11.37860 
1 1 1 58  6  3  o 64.43745 4.180834 534.5127       50.59812 548.0723       56.50043 479.5955       113.7060 67.04916 3.483021 61.82575 7.601714 5.223408       8.361669 
1 1 1 58  6  4  o 32.84783 6.630872 137.9102       47.24589 137.7783       52.35115 138.4890       109.6878 32.61933 6.851536 33.07632 11.35475 -0.4569931     13.26174 
1 1 1 58  6  5  o 67.58241 4.133335 566.1807       55.44202 564.1789       62.59527 573.4682       119.4316 67.86575 3.812313 67.29908 7.335128 0.5666656      8.266670 
1 1 1 58  6  6  o 37.96561 6.453030 208.8002       49.57434 220.9232       54.69547 153.0042       117.3401 42.11052 5.368567 33.82070 11.73648 8.289822       12.90606 
1 1 1 58  6  7  o 28.46178 7.390259 81.91560       52.79102 69.13153       57.72215 147.2933       130.5337 23.69642 8.231148 33.22713 12.27648 -9.530718      14.78052 
1 1 1 58  6  8  o 43.91922 6.846645 308.6205       57.94053 331.5117       63.92306 203.2124       137.1705 51.31923 5.148434 36.51922 12.68857 14.80000       13.69329 
1 1 1 58  6  9  o 17.46041 7.468316 9.510627       56.07365 9.510627       56.07365 0.000000       0.000000 17.46041 7.468316 ?        ?        ?              ?        
1 1 1 58  8  0  o 97.31842 3.508389 1222.376       66.82119 1271.017       75.87415 1054.253       141.0613 102.2497 3.067110 92.38710 6.310944 9.862633       7.016778 
1 1 1 58  8  1  f 95.76309 3.405091 1156.887       64.59431 1182.839       73.30530 1066.746       136.6200 98.61357 3.072532 92.91261 6.077673 5.700966       6.810181 
1 1 1 58  8  2  o 93.73306 3.486494 1113.490       65.28550 1142.002       74.40393 1018.084       136.1040 96.84740 3.175452 90.61873 6.207984 6.228668       6.972989 
1 1 1 58  8  3  o 33.72845 6.738158 147.2759       48.25852 148.7201       53.00184 140.2737       116.7089 33.96935 6.687192 33.48756 11.70011 0.4817924      13.47632 
1 1 1 58  8  4  o 19.07847 5.958461 -1.150740      45.67740 8.627586       50.98658 -40.90422      102.8043 17.22453 7.233035 20.93241 9.470810 -3.707876      11.91692 
1 1 1 58  8  5  o 77.67046 4.170401 732.9374       61.47406 719.6659       68.13006 791.0768       142.5984 76.62203 3.675215 78.71889 7.487440 -2.096855      8.340801 
1 1 1 58  8  6  o 67.80167 5.056555 671.1987       61.79166 729.8516       69.76514 457.7038       133.1029 77.04530 3.742743 58.55803 9.395045 18.48727       10.11311 
1 1 1 58  8  7  o 35.77189 7.054359 195.2282       59.90423 214.1042       65.96043 106.3653       143.1162 40.80749 6.680997 30.73628 12.42659 10.07121       14.10872 
1 1 1 58  8  8  o 24.27658 9.202492 69.85458       74.33825 69.85458       74.33825 0.000000       0.000000 24.27658 9.202492 ?        ?        ?              ?        
1 1 1 58  10 0  o 63.45014 4.867403 528.2122       54.45308 542.1515       59.85479 461.2731       131.1650 66.65891 3.711405 60.24137 8.999550 6.417542       9.734805 
1 1 1 58  10 1  o 23.82059 6.397878 59.71696       46.32676 77.56460       50.36593 -38.35812      118.0663 24.77975 7.641304 22.86142 10.26362 1.918327       12.79576 
1 1 1 58  10 2  o 53.97153 5.078886 340.7853       51.46433 326.6744       56.56825 408.5663       123.9794 51.56594 4.534272 56.37712 9.089594 -4.811184      10.15777 
1 1 1 58  10 3  o 54.18052 4.958641 346.3356       51.46682 331.8789       56.92478 411.0648       120.4525 51.92281 4.531488 56.43822 8.821456 -4.515408      9.917281 
1 1 1 58  10 4  o 15.95567 5.499235 -85.40682      48.28143 -82.05953      53.28112 -100.7734      114.1602 12.20471 5.903918 19.70662 9.279553 -7.501919      10.99847 
1 1 1 58  10 5  o 111.0582 3.884789 1656.415       82.23914 1740.997       93.03021 1353.956       175.9209 119.2523 3.224444 102.8640 7.068896 16.38827       7.769577 
1 1 1 58  10 6  o 25.26676 6.220340 83.31481       52.18714 122.1824       58.01527 -81.49911      119.4663 29.98281 7.890549 20.55071 9.618200 9.432102       12.44068 
1 1 1 58  10 7  o 40.17358 11.83287 249.7323       122.7760 249.7323       122.7760 0.000000       0.000000 40.17358 11.83287 ?        ?        ?              ?        
1 1 1 58  12 0  o 48.66471 5.764661 266.1412       51.97171 243.8887       57.02559 375.2528       126.2747 44.42768 5.305347 52.90174 10.23614 -8.474064      11.52932 
1 1 1 58  12 1  o 45.00716 6.520913 313.5836       52.79275 338.9417       58.02896 191.7906       127.1739 52.47860 4.570464 37.53574 12.21475 14.94286       13.04183 
1 1 1 58  12 3  o 31.66730 7.490959 70.90086       54.25384 35.97515       58.89041 266.8650       139.4955 20.54428 8.081318 42.79032 12.61547 -22.24604      14.98192 
1 1 1 58  12 4  o 51.14081 7.067012 395.0334       60.87860 411.7185       66.22231 303.9857       154.6940 57.56321 4.755071 44.71842 13.31014 12.84479       14.13402 
1 1 1 58  12 5  o 21.53872 8.874651 31.73658       74.68665 31.73658       74.68665 0.000000       0.000000 21.53872 8.874651 ?        ?        ?              ?        
1 1 1 58  14 0  o 51.89317 6.025431 323.1369       54.61484 308.5902       59.43050 402.1416       138.5012 49.92647 4.920126 53.85988 11.00071 -3.933411      12.05086 
1 1 1 58  14 1  o 63.14650 5.422714 518.8448       58.92521 522.2320       64.17727 500.6544       148.7251 65.13719 4.072395 61.15581 10.05181 3.981380       10.84543 
1 1 1 58  14 2  o 52.03824 6.225221 346.0040       55.63739 338.5579       60.60020 385.9608       140.3794 52.20536 4.797960 51.87112 11.48882 0.3342438      12.45044 
1 1 1 58  14 3  o 67.41232 8.050653 596.5497       131.3024 596.5497       131.3024 0.000000       0.000000 67.41232 8.050653 ?        ?        ?              ?        
1 1 1 59  1  0  o 115.1885 3.183105 1668.668       75.94467 1719.267       87.96305 1520.523       150.5134 118.9849 3.055669 111.3921 5.584937 7.592758       6.366210 
1 1 1 59  1  1  o 57.53975 3.651586 411.1821       46.88861 420.7637       56.71153 390.4819       83.35628 58.75763 3.989374 56.32187 6.117288 2.435757       7.303172 
1 1 1 59  1  2  o 48.98393 4.949815 322.0996       47.08289 341.2929       54.37663 264.6044       94.11391 52.86168 4.251762 45.10619 8.940088 7.755489       9.899630 
1 1 1 59  1  3  o 116.8468 3.071063 1689.083       76.23574 1710.134       89.01981 1631.172       147.6498 118.5521 3.103667 115.1414 5.300280 3.410667       6.142126 
1 1 1 59  1  4  o 66.76547 3.733213 497.6875       52.90602 448.0157       60.34573 662.7008       109.9895 60.49845 4.122874 73.03249 6.224904 -12.53405      7.466426 
1 1 1 59  1  5  o 114.7000 3.434345 1638.849       87.97647 1667.078       106.3437 1577.632       156.6021 116.7155 3.766005 112.6844 5.744223 4.031075       6.868689 
1 1 1 59  1  6  o 44.45798 4.815794 256.9044       49.03418 188.3931       69.02491 326.7007       69.66919 37.73837 7.817098 51.17759 5.626764 -13.43922      9.631588 
1 1 1 59  1  7  o 48.99512 4.111625 301.8022       48.67992 282.1257       67.88573 322.6299       69.84364 47.31456 5.930364 50.67569 5.696720 -3.361134      8.223249 
1 1 1 59  1  8  o 31.28099 5.978357 135.5025       47.76964 175.5918       67.07464 94.24035       68.04884 35.89927 7.933916 26.66271 8.945167 9.236559       11.95671 
1 1 1 59  1  9  o 26.35598 6.453517 91.79925       51.11319 122.5231       74.06124 63.85575       70.63065 29.28380 9.301289 23.42815 8.948607 5.855654       12.90703 
1 1 1 59  3  0  o 105.3493 3.208223 1396.345       69.61832 1437.126       80.40796 1274.242       139.1346 108.7738 3.055431 101.9247 5.642262 6.849037       6.416447 
1 1 1 59  3  1  o 85.79762 3.303035 897.6888       58.93386 895.4579       67.80479 904.5806       119.1753 85.81274 3.265925 85.78250 5.742291 0.3023529E-01  6.606071 
1 1 1 59  3  2  o 26.95995 6.192657 76.92172       41.40749 61.40208       47.69123 124.4497       83.45885 22.63952 7.485561 31.28038 9.867239 -8.640862      12.38531 
1 1 1 59  3  3  f 51.09155 4.705964 298.2066       50.35589 274.4492       57.24015 379.5360       105.9069 47.25946 5.006217 54.92363 7.970079 -7.664162      9.411927 
1 1 1 59  3  4  o 62.66364 4.005046 474.9193       52.72813 463.8275       60.70889 508.9828       106.3886 61.55173 4.076708 63.77554 6.895073 -2.223801      8.010093 
1 1 1 59  3  5  o 24.79918 5.751915 77.53209       47.55990 123.7024       53.85183 -86.13921      101.3924 30.69743 7.348616 18.90094 8.850761 11.79648       11.50383 
1 1 1 59  3  6  o 18.42552 5.987987 -41.28355      47.43047 -52.48630      52.89863 4.654372       107.1193 13.44798 6.327667 23.40306 10.16782 -9.955085      11.97597 
1 1 1 59  3  7  o 55.73866 4.998860 380.3121       55.15640 366.8081       61.84146 432.8376       121.9647 54.33163 4.704621 57.14568 8.821619 -2.814053      9.997721 
1 1 1 59  3  8  o 73.74467 4.384909 691.9042       62.57442 689.3888       70.13158 701.7252       138.5753 74.64691 3.883287 72.84245 7.863193 1.804466       8.769818 
1 1 1 59  3  9  o 21.82443 6.433249 39.01767       54.11436 64.21716       59.93302 -72.18323      125.8996 22.77468 8.333863 20.87419 9.802730 1.900496       12.86650 
1 1 1 59  5  0  o 136.1977 3.168910 2340.775       91.01039 2426.489       106.5463 2109.459       175.0309 141.2994 3.116708 131.0960 5.518522 10.20332       6.337820 
1 1 1 59  5  1  o 65.39425 4.402520 631.7251       53.67919 727.4952       62.37030 358.1202       105.4204 77.31995 3.334141 53.46854 8.149369 23.85141       8.805039 
1 1 1 59  5  2  o 33.34654 6.375626 141.7210       45.32063 141.5806       50.54883 142.2962       102.3272 33.25110 6.516527 33.44198 10.96035 -0.1908798     12.75125 
1 1 1 59  5  3  f 86.60863 3.467874 956.0582       61.78883 989.8804       71.48722 856.1570       122.8605 90.13264 3.278265 83.08462 6.112085 7.048019       6.935749 
1 1 1 59  5  4  o 86.82053 3.551743 896.7803       60.97792 873.3114       68.33855 988.4593       135.0685 84.59995 3.338823 89.04111 6.269909 -4.441170      7.103485 
1 1 1 59  5  5  o 89.68623 3.570487 1016.173       65.26573 1035.031       74.88283 956.5735       133.1224 92.02344 3.363423 87.34903 6.299278 4.674408       7.140975 
1 1 1 59  5  6  o 39.54960 6.544118 189.9245       50.87248 177.1842       56.16001 248.1856       120.0952 37.49312 6.191178 41.60608 11.53132 -4.112957      13.08824 
1 1 1 59  5  7  o 40.67722 6.643316 272.8093       56.31541 304.4802       62.33032 132.0643       131.3972 49.29042 5.226784 32.06403 12.21537 17.22639       13.28663 
1 1 1 59  5  8  o 30.64421 7.429465 78.86642       54.66448 42.76240       59.96597 256.3950       132.9723 20.88899 8.173424 40.39943 12.40899 -19.51044      14.85893 
1 1 1 59  7  0  o 82.84569 3.632013 802.5758       58.63593 776.6956       65.26642 910.8864       133.5184 79.88039 3.377126 85.81098 6.431260 -5.930588      7.264027 
1 1 1 59  7  1  o 21.14685 6.276326 7.370592       42.69691 -3.039243      47.05946 55.83581       101.5407 15.73567 6.787855 26.55804 10.55908 -10.82237      12.55265 
1 1 1 59  7  2  o 67.62553 3.976430 596.2168       52.37307 620.7859       59.42738 510.7674       110.8270 71.35567 3.442356 63.89539 7.169250 7.460274       7.952859 
1 1 1 59  7  3  o 30.72227 6.726480 121.7368       48.72907 125.9962       54.32543 104.1999       110.2313 31.05680 7.345299 30.38775 11.27070 0.6690445      13.45296 
1 1 1 59  7  4  f 21.56422 6.484904 0.5377136      46.87679 -14.24132      51.82423 67.04343       109.9358 15.58098 6.909591 27.54747 10.97604 -11.96650      12.96981 
1 1 1 59  7  5  o 62.13913 4.434303 408.4996       55.33947 355.8680       61.34412 638.5485       128.2506 53.62914 4.727916 70.64911 7.503266 -17.01997      8.868607 
1 1 1 59  7  6  o 27.58627 7.149332 53.53748       52.29696 23.74809       57.95365 184.1761       121.3628 19.24602 7.860529 35.92652 11.94420 -16.68050      14.29866 
1 1 1 59  7  7  o 27.35696 7.600616 67.17843       59.19748 51.46293       65.31814 139.4408       140.0638 22.26493 8.580415 32.44899 12.54807 -10.18406      15.20123 
1 1 1 59  7  8  o 36.44871 11.46362 206.1868       112.7279 206.1868       112.7279 0.000000       0.000000 36.44871 11.46362 ?        ?        ?              ?        
1 1 1 59  9  0  o 54.01992 4.701026 332.0600       50.35436 311.0696       56.08011 419.3932       114.3902 50.37334 4.601567 57.66650 8.199035 -7.293152      9.402052 
1 1 1 59  9  1  o 20.83928 6.018442 29.91833       44.69462 51.71244       49.11915 -74.96728      107.7554 21.46964 7.583524 20.20892 9.347551 1.260714       12.03688 
1 1 1 59  9  2  o 56.21650 5.690107 464.2126       55.32986 502.8732       62.18578 317.3111       121.2188 64.08041 4.011100 48.35258 10.64990 15.72783       11.38021 
1 1 1 59  9  3  o 20.18873 5.826359 22.31018       46.68947 58.58498       51.23977 -155.1458      113.3313 22.34014 7.755470 18.03732 8.697042 4.302816       11.65272 
1 1 1 59  9  4  o 50.09063 5.941565 338.8758       54.03952 345.0159       60.22447 313.5039       122.4226 52.81768 4.712934 47.36358 10.90858 5.454105       11.88313 
1 1 1 59  9  5  o 28.93839 7.424897 91.89706       52.70705 85.78806       57.15937 126.5913       136.2168 25.65950 8.173554 32.21727 12.39796 -6.557770      14.84979 
1 1 1 59  9  6  o 23.77392 6.855135 45.76804       51.68542 42.77003       57.45913 58.47709       118.3039 20.81841 8.040760 26.72943 11.10485 -5.911020      13.71027 
1 1 1 59  11 0  o 41.70354 6.527195 201.6909       50.97907 187.7973       55.68367 273.6466       126.7220 38.88938 5.918266 44.51770 11.63577 -5.628323      13.05439 
1 1 1 59  11 1  o 25.47122 5.861018 86.42625       48.91565 129.8676       53.29148 -145.9845      123.2635 31.52044 7.152176 19.42200 9.287222 12.09844       11.72204 
1 1 1 59  11 2  o 65.29780 4.608471 536.8869       56.18374 537.5550       62.28194 533.9679       130.1894 66.20087 3.888626 64.39472 8.356471 1.806152       9.216942 
1 1 1 59  11 3  o 34.86858 6.993385 147.0161       52.01960 132.9029       57.91440 205.9488       118.3458 31.59895 7.656025 38.13821 11.70534 -6.539259      13.98677 
1 1 1 59  11 4  o 90.61429 4.213089 1092.490       72.22099 1133.096       81.20574 938.8459       157.9598 96.08212 3.493348 85.14645 7.667920 10.93567       8.426178 
1 1 1 59  11 5  o 30.93719 9.231608 132.9003       74.34557 132.9003       74.34557 0.000000       0.000000 30.93719 9.231608 ?        ?        ?              ?        
1 1 1 59  13 0  f 31.69738 7.342572 119.1554       51.83793 114.4453       56.22309 145.8656       133.8860 29.40105 7.782260 33.99372 12.45351 -4.592667      14.68514 
1 1 1 59  13 1  o 86.79985 4.444964 1025.508       68.72353 1070.104       76.16286 830.1011       159.4293 93.50922 3.366561 80.09048 8.227824 13.41875       8.889928 
1 1 1 59  13 2  o 33.94979 7.088822 94.64025       53.05773 51.62316       58.23761 304.6996       128.6927 21.93912 8.181277 45.96046 11.57896 -24.02134      14.17764 
1 1 1 59  13 3  o 82.17319 4.635636 839.4303       92.15985 839.4303       92.15985 0.000000       0.000000 82.17319 4.635636 ?        ?        ?              ?        
1 1 1 59  15 0  o 53.83710 7.023511 516.5453       61.12768 569.1937       66.61121 235.6930       153.8486 67.92558 4.053327 39.74863 13.44951 28.17695       14.04702 
1 1 1 60  0  0  o 49.45611 4.118572 310.1896       67.15651 310.1896       67.15651 310.1896       67.15651 49.45611 5.824541 49.45611 5.824541 0.000000       0.000000 
1 1 1 60  0  1  o 89.41798 2.714375 976.2726       82.69658 976.2726       82.69658 976.2726       82.69658 89.41798 3.838706 89.41798 3.838706 0.000000       0.000000 
1 1 1 60  0  2  o 53.30556 3.757449 356.6148       66.96811 356.6148       66.96811 356.6148       66.96811 53.30556 5.313836 53.30556 5.313836 0.000000       0.000000 
1 1 1 60  0  3  o 207.4517 3.148383 5247.697       223.2390 5247.697       223.2390 5247.697       223.2390 207.4517 4.452486 207.4517 4.452486 0.000000       0.000000 
1 1 1 60  0  4  o 109.4248 2.717316 1462.014       101.4511 1462.014       101.4511 1462.014       101.4511 109.4248 3.842865 109.4248 3.842865 0.000000       0.000000 
1 1 1 60  0  5  o 99.25678 2.767360 1205.567       93.64977 1205.567       93.64977 1205.567       93.64977 99.25678 3.913638 99.25678 3.913638 0.000000       0.000000 
1 1 1 60  0  6  o 88.75710 3.008851 968.8110       90.89498 968.8110       90.89498 968.8110       90.89498 88.75710 4.255158 88.75710 4.255158 0.000000       0.000000 
1 1 1 60  0  7  o 13.71045 6.246399 5.560337       67.67963 5.560337       67.67963 5.560337       67.67963 13.71045 8.833742 13.71045 8.833742 0.000000       0.000000 
1 1 1 60  0  8  o 28.95058 7.590887 144.1186       69.81901 144.1186       69.81901 144.1186       69.81901 28.95058 10.73514 28.95058 10.73514 0.000000       0.000000 
1 1 1 60  2  0  o 73.38707 3.499124 665.5097       53.58961 671.9031       61.95749 646.5200       106.7793 74.31464 3.446015 72.45951 6.091013 1.855125       6.998247 
1 1 1 60  2  1  o 96.30669 3.157437 1155.762       63.47985 1178.279       73.59264 1090.303       125.4757 98.44093 3.089985 94.17244 5.507235 4.268486       6.314875 
1 1 1 60  2  2  o 70.84380 3.443248 612.3495       52.54486 608.2236       61.54893 623.4384       100.9021 70.63234 3.601759 71.05524 5.869511 -0.4229050     6.886496 
1 1 1 60  2  3  o 98.21267 3.302027 1188.755       67.14772 1193.194       77.23824 1175.015       135.8765 98.96565 3.225860 97.45969 5.762583 1.505966       6.604054 
1 1 1 60  2  4  o 37.50871 5.926576 190.6550       48.48419 201.3531       56.79895 161.9274       93.07565 40.26374 5.830743 34.75369 10.31987 5.510048       11.85315 
1 1 1 60  2  5  o 68.58347 4.060246 576.8295       56.55748 568.8209       64.27964 604.2832       119.0128 68.09399 3.901777 69.07296 7.121695 -0.9789734     8.120492 
1 1 1 60  2  6  o 80.01840 3.761355 731.4958       61.74480 677.3053       69.58792 932.0643       133.8762 74.21188 3.875771 85.82493 6.447446 -11.61305      7.522710 
1 1 1 60  2  7  o 17.63018 5.897592 -58.19138      47.53026 -67.25242      52.29405 -15.14575      113.9798 12.57010 6.020945 22.69027 10.14271 -10.12016      11.79518 
1 1 1 60  2  8  o 38.69204 5.502705 201.0543       50.54896 279.4093       74.80018 135.1920       68.57841 46.39153 6.664409 30.99254 8.758122 15.39899       11.00541 
1 1 1 60  4  0  o 68.90558 3.942987 624.1960       52.91011 656.7030       60.20926 513.9798       110.8657 73.46294 3.387604 64.34822 7.121286 9.114723       7.885973 
1 1 1 60  4  1  o 74.89438 3.502115 692.0131       55.00972 696.1678       63.70501 679.8334       109.0733 75.60019 3.482959 74.18858 6.076860 1.411613       7.004230 
1 1 1 60  4  2  o 23.25461 6.315300 51.85299       45.25197 60.05903       51.31746 23.16478       95.95112 22.67292 7.767230 23.83630 9.960029 -1.163385      12.63060 
1 1 1 60  4  3  o 64.56264 4.000774 496.2611       52.69329 480.0676       59.71318 553.2421       112.0120 62.64761 3.939702 66.47767 6.964447 -3.830059      8.001548 
1 1 1 60  4  4  o 30.38058 6.682673 117.4913       48.15814 118.5050       54.15389 113.6585       105.2966 30.03845 7.480131 30.72271 11.07611 -0.6842613     13.36535 
1 1 1 60  4  5  o 22.97831 6.170777 54.33696       47.98819 79.99972       54.96152 -27.98334      98.43749 25.04361 8.018844 20.91302 9.381477 4.130589       12.34155 
1 1 1 60  4  6  o 58.62970 5.524286 466.9212       57.55614 478.3763       64.10260 419.2743       130.7352 62.23106 4.257613 55.02834 10.19528 7.202717       11.04857 
1 1 1 60  4  7  o 45.16667 6.777305 282.0475       59.44690 281.8018       66.35865 283.0458       133.7774 47.15808 5.816197 43.17527 12.24334 3.982815       13.55461 
1 1 1 60  4  8  o 19.67918 8.052138 28.81359       60.95293 28.81359       60.95293 0.000000       0.000000 19.67918 8.052138 ?        ?        ?              ?        
1 1 1 60  6  0  o 49.31994 4.756445 247.6987       45.91870 215.7200       50.40949 403.5693       111.2920 41.93468 4.968631 56.70521 8.112201 -14.77053      9.512891 
1 1 1 60  6  1  o 55.88015 4.844082 399.6408       49.97463 406.1406       55.41463 371.3266       115.6582 57.65969 3.972371 54.10061 8.836334 3.559082       9.688165 
1 1 1 60  6  2  o 66.58502 3.936232 521.7273       52.73702 501.8571       59.34758 596.3117       114.9811 64.08510 3.827750 69.08495 6.879244 -4.999855      7.872463 
1 1 1 60  6  3  o 34.91983 6.263018 162.3863       46.13744 167.2524       51.36364 142.0583       104.9812 36.70340 5.784252 33.13626 11.11054 3.567142       12.52604 
1 1 1 60  6  4  o 62.49740 4.862695 521.0649       55.78916 538.8535       62.13792 447.1148       126.6938 66.29015 3.874409 58.70466 8.920322 7.585487       9.725389 
1 1 1 60  6  5  o 34.42633 6.657485 165.7286       50.80114 172.9093       56.83201 137.1803       113.3191 36.44347 6.692333 32.40919 11.51091 4.034275       13.31497 
1 1 1 60  6  6  o 38.95654 6.768793 163.9499       52.51853 130.6940       57.98616 315.7644       123.8931 31.12924 7.733766 46.78383 11.11103 -15.65460      13.53759 
1 1 1 60  6  7  o 39.45892 7.442176 211.9683       60.87104 202.7184       67.39219 252.9447       141.8428 38.80339 7.449411 40.11445 12.88605 -1.311058      14.88435 
1 1 1 60  8  0  o 28.83508 6.575863 105.1290       45.90564 111.7965       50.68869 74.71743       108.2552 29.34803 7.194450 28.32214 11.00944 1.025892       13.15173 
1 1 1 60  8  1  o 27.21081 6.620711 52.75014       44.56098 26.64244       49.29058 169.5419       104.2523 18.72323 7.384316 35.69839 10.99123 -16.97516      13.24142 
1 1 1 60  8  2  o 55.52007 4.406973 301.9013       51.03525 232.5417       57.14186 575.3718       113.4636 43.34068 5.449496 67.69946 6.927383 -24.35877      8.813947 
1 1 1 60  8  3  o 21.36276 6.483375 17.10260       49.34168 22.30036       54.52505 -6.402142      115.9486 18.87871 7.657013 23.84680 10.46455 -4.968090      12.96675 
1 1 1 60  8  4  o 59.06472 4.605049 408.7012       55.45078 383.2736       62.49562 502.7960       120.2207 55.67174 4.639941 62.45770 7.955932 -6.785965      9.210098 
1 1 1 60  8  5  o 74.89743 4.488944 692.8849       63.31628 681.7886       70.09706 742.0583       147.5624 74.39560 3.894487 75.39926 8.089216 -1.003662      8.977887 
1 1 1 60  8  6  o 40.31834 6.760278 240.4587       56.83749 252.7772       63.70477 192.3855       125.8475 44.61265 5.902168 36.02402 12.16429 8.588623       13.52056 
1 1 1 60  10 0  o 30.84669 6.071081 143.3941       48.26488 172.8230       52.86570 -3.945271      118.2895 37.31520 5.855796 24.37819 10.63681 12.93701       12.14216 
1 1 1 60  10 1  o 47.94409 5.891425 266.3674       51.79483 248.4475       56.80779 354.6699       126.1034 44.81032 5.239955 51.07786 10.55360 -6.267536      11.78285 
1 1 1 60  10 2  o 25.25896 6.518517 76.05591       49.60829 96.60872       54.65612 -20.04759      118.1878 27.14550 7.866471 23.37241 10.39629 3.773088       13.03703 
1 1 1 60  10 3  o 38.04623 7.005455 165.5343       52.23084 146.0019       57.15388 264.4854       128.6405 33.23561 7.306907 42.85685 11.95469 -9.621235      14.01091 
1 1 1 60  10 4  o 36.06020 6.815824 189.7837       54.86745 203.1338       60.70007 130.1606       128.2785 40.03891 6.266206 32.08149 12.10605 7.957420       13.63165 
1 1 1 60  10 5  o 19.57699 8.356329 11.45457       69.93950 11.45457       69.93950 0.000000       0.000000 19.57699 8.356329 ?        ?        ?              ?        
1 1 1 60  12 0  o 69.56532 4.963337 602.5580       60.68299 598.1914       66.10752 625.9370       152.9654 69.82606 3.913191 69.30458 9.122817 0.5214767      9.926674 
1 1 1 60  12 1  o 71.41453 4.627696 573.3018       60.21611 539.6473       65.43080 759.5479       153.9234 66.23181 4.083319 76.59724 8.305949 -10.36543      9.255392 
1 1 1 60  12 2  o 62.57808 5.259479 497.4785       59.98941 494.5200       66.02323 511.4813       143.6376 63.27495 4.312833 61.88120 9.594162 1.393749       10.51896 
1 1 1 60  12 3  o 54.80146 4.895221 374.3876       64.90330 374.3876       64.90330 0.000000       0.000000 54.80146 4.895221 ?        ?        ?              ?        
1 1 1 60  14 0  o 81.00730 5.029830 938.4155       69.11441 990.2980       76.14595 695.7763       164.6708 89.83609 3.503431 72.17851 9.429885 17.65758       10.05966 
1 1 1 61  1  0  o 65.30720 3.756493 523.2774       51.33593 522.8466       59.28342 524.5687       102.6418 65.49841 3.741108 65.11599 6.515296 0.3824158      7.512987 
1 1 1 61  1  1  o 117.8574 3.077877 1688.018       76.18150 1676.808       87.98506 1721.594       152.2684 117.4027 3.097623 118.3121 5.319591 -0.9094086     6.155754 
1 1 1 61  1  2  o 24.95530 6.142119 56.87506       42.71816 33.04214       50.40359 117.6443       80.48492 19.53988 7.535402 30.37072 9.701558 -10.83084      12.28424 
1 1 1 61  1  3  o 82.90179 3.456418 803.3793       59.25271 766.2393       67.33926 930.7555       124.7073 79.22391 3.513256 86.57969 5.953515 -7.355782      6.912836 
1 1 1 61  1  4  f 45.04390 4.595655 269.4635       44.84821 145.5511       62.71609 399.1407       64.15838 33.17696 7.922598 56.91084 4.659680 -23.73387      9.191310 
1 1 1 61  1  5  o 96.40766 2.838627 1142.333       66.15491 1079.688       92.60825 1207.613       94.53587 93.68163 4.085948 99.13369 3.941605 -5.452057      5.677255 
1 1 1 61  1  6  o 58.48629 3.800809 428.8193       52.92029 336.0603       73.10825 530.9225       76.70222 51.64829 5.850704 65.32429 4.853231 -13.67599      7.601618 
1 1 1 61  1  7  o 25.28238 6.084266 65.12862       51.93393 -16.10737      73.49820 146.1328       73.39326 18.24593 8.151225 32.31882 9.034971 -14.07288      12.16853 
1 1 1 61  3  0  o 29.08774 6.290073 112.6770       46.34563 127.4611       52.97974 64.48543       95.65275 31.42173 7.132288 26.75375 10.36294 4.667988       12.58015 
1 1 1 61  3  1  o 61.24833 3.977662 470.3217       51.03388 478.5807       59.26826 446.6389       100.3629 62.60605 3.912944 59.89060 6.926476 2.715454       7.955325 
1 1 1 61  3  2  o 66.72268 4.059854 578.2746       55.15269 605.4128       63.76578 497.6799       109.8880 70.40880 3.743333 63.03656 7.205354 7.372234       8.119708 
1 1 1 61  3  3  o 41.90250 5.800342 228.3554       48.98929 229.3829       55.96068 224.9851       101.3522 43.06823 5.370611 40.73676 10.28263 2.331463       11.60068 
1 1 1 61  3  4  o 125.8903 3.266693 1904.031       83.64703 1862.850       94.88897 2047.591       177.1670 123.5380 3.174774 128.2426 5.710160 -4.704590      6.533385 
1 1 1 61  3  5  o 48.78609 5.359070 287.8024       52.78241 268.6244       60.04523 353.0042       110.7152 46.42913 5.345467 51.14304 9.290021 -4.713909      10.71814 
1 1 1 61  3  6  o 31.57270 6.968121 103.6655       50.12863 75.60963       55.92643 218.3224       113.0592 24.34678 8.108826 38.79862 11.33427 -14.45185      13.93624 
1 1 1 61  3  7  o 44.19989 6.821205 299.3749       59.76905 318.3210       66.94895 224.9851       132.6605 50.15351 5.517472 38.24626 12.47689 11.90726       13.64241 
1 1 1 61  5  0  o 23.85004 5.955501 66.54718       44.16439 92.47552       49.90919 -27.03153      94.81600 26.79525 7.436325 20.90483 9.304464 5.890421       11.91100 
1 1 1 61  5  1  o 110.3826 3.282217 1468.188       72.77193 1447.396       82.24988 1543.129       156.1513 109.0376 3.117859 111.7276 5.776742 -2.689926      6.564434 
1 1 1 61  5  2  o 38.08880 6.041283 151.7835       45.79270 122.6158       50.86634 276.5021       105.1830 30.71409 7.000983 45.46352 9.847569 -14.74943      12.08257 
1 1 1 61  5  3  o 29.62459 6.314893 121.5172       47.99166 139.6436       55.24288 65.74657       96.90008 32.69441 7.180405 26.55476 10.39006 6.139650       12.62979 
1 1 1 61  5  4  o 53.47615 5.226404 337.7381       54.03252 321.0802       59.87408 410.8269       125.4167 50.94303 4.857936 56.00926 9.255358 -5.066231      10.45281 
1 1 1 61  5  5  o 28.08692 7.011476 88.04131       50.50864 78.40566       56.57572 125.8775       112.1097 24.79701 8.150846 31.37683 11.41082 -6.579813      14.02295 
1 1 1 61  5  6  o 62.71793 4.723152 493.6992       57.07648 486.7463       63.71388 521.9512       128.4328 62.69479 4.200493 62.74107 8.460999 -0.4628372E-01 9.446303 
1 1 1 61  5  7  o 77.03424 7.338914 780.9637       136.7785 780.9637       136.7785 0.000000       0.000000 77.03424 7.338914 ?        ?        ?              ?        
1 1 1 61  7  0  o 22.55245 6.376928 42.85279       46.82144 58.21991       51.47164 -30.85068      112.7238 22.44638 7.774093 22.65852 10.11060 -0.2121391     12.75386 
1 1 1 61  7  1  o 49.55312 5.573488 321.9389       50.86706 326.6374       56.90982 303.2719       113.4340 51.57293 4.561032 47.53331 10.17114 4.039616       11.14698 
1 1 1 61  7  2  o 56.71030 4.321135 364.9585       50.23157 336.3528       56.54760 471.9810       109.3768 52.30620 4.468469 61.11440 7.397406 -8.808205      8.642269 
1 1 1 61  7  3  f 100.6386 3.608488 1249.059       72.08910 1244.766       81.37082 1264.723       155.4270 100.9202 3.332638 100.3569 6.401428 0.5633240      7.216977 
1 1 1 61  7  4  o 72.50633 4.366946 674.6472       61.12778 683.9658       68.70690 639.2624       133.8857 74.61564 3.805995 70.39703 7.860997 4.218605       8.733892 
1 1 1 61  7  5  o 36.80585 6.403684 229.4672       56.43636 270.6178       62.45663 46.35336       131.7503 46.40626 5.562880 27.20545 11.53616 19.20081       12.80737 
1 1 1 61  7  6  o 52.39825 6.430737 352.5900       81.52295 352.5900       81.52295 0.000000       0.000000 52.39825 6.430737 ?        ?        ?              ?        
1 1 1 61  9  0  o 47.95258 5.632185 290.2745       51.04733 286.1905       57.15970 306.3653       113.4567 48.19618 4.902020 47.70898 10.14181 0.4871941      11.26437 
1 1 1 61  9  1  o 62.93143 4.359570 451.5330       54.14209 422.8820       60.20133 572.7543       123.8302 58.68120 4.240380 67.18166 7.618568 -8.500462      8.719140 
1 1 1 61  9  2  f 58.58794 4.985289 427.0372       56.41820 421.9458       63.01977 447.5907       126.6197 58.51438 4.451557 58.66150 8.921662 -0.1471214     9.970577 
1 1 1 61  9  3  o 39.94964 6.998775 191.8473       53.51903 177.0001       58.42728 269.2445       133.3999 36.83963 6.806097 43.05966 12.23145 -6.220032      13.99755 
1 1 1 61  9  4  o 24.58323 7.004947 49.17271       51.52461 44.22119       56.68641 72.70672       123.5826 20.99554 8.017395 28.17093 11.48906 -7.175381      14.00989 
1 1 1 61  11 0  o 65.49287 5.689428 641.2350       60.10530 688.3174       66.47683 430.3391       140.6938 74.96807 3.665149 56.01766 10.77242 18.95041       11.37886 
1 1 1 61  11 1  o 27.60794 6.891422 -3.034215      49.79013 -45.95551      53.94207 244.0214       129.4162 13.96241 6.511018 41.25346 12.14798 -27.29105      13.78284 
1 1 1 61  11 2  o 20.40856 6.450334 -1.405722      50.88324 3.542097       55.71418 -26.28197      124.9256 17.35910 7.435166 23.45802 10.54256 -6.098923      12.90067 
1 1 1 61  11 3  o 41.81146 6.073182 221.4194       61.43473 221.4194       61.43473 0.000000       0.000000 41.81146 6.073182 ?        ?        ?              ?        
1 1 1 61  13 0  o 37.89236 7.722539 207.3967       67.02975 216.5874       74.56771 168.7091       152.9902 40.30600 7.929252 35.47872 13.25434 4.827282       15.44508 
1 1 1 61  13 1  f 105.2199 6.156620 1402.736       156.7265 1402.736       156.7265 0.000000       0.000000 105.2199 6.156620 ?        ?        ?              ?        
1 1 1 62  0  0  o 49.48897 4.106761 311.0642       67.03241 311.0642       67.03241 311.0642       67.03241 49.48897 5.807837 49.48897 5.807837 0.000000       0.000000 
1 1 1 62  0  1  o 94.88142 2.672600 1099.213       86.44978 1099.213       86.44978 1099.213       86.44978 94.88142 3.779626 94.88142 3.779626 0.000000       0.000000 
1 1 1 62  0  2  o 62.60708 3.346910 485.9893       70.75211 485.9893       70.75211 485.9893       70.75211 62.60708 4.733246 62.60708 4.733246 0.000000       0.000000 
1 1 1 62  0  3  o 42.77473 5.143343 243.6678       68.73890 243.6678       68.73890 243.6678       68.73890 42.77473 7.273785 42.77473 7.273785 0.000000       0.000000 
1 1 1 62  0  4  o 45.77478 4.640702 273.2756       68.34840 273.2756       68.34840 273.2756       68.34840 45.77478 6.562943 45.77478 6.562943 0.000000       0.000000 
1 1 1 62  0  5  o 13.06353 6.013124 -1.388304      64.93174 -1.388304      64.93174 -1.388304      64.93174 13.06353 8.503841 13.06353 8.503841 0.000000       0.000000 
1 1 1 62  0  6  o 73.51960 3.296935 671.0488       82.16892 671.0488       82.16892 671.0488       82.16892 73.51960 4.662570 73.51960 4.662570 0.000000       0.000000 
1 1 1 62  2  0  o 102.8682 3.304361 1352.808       70.32938 1411.079       81.74559 1186.794       137.9785 107.6841 3.137693 98.05222 5.816363 9.631882       6.608721 
1 1 1 62  2  1  o 77.23336 3.503389 764.3007       57.64164 803.7803       68.18631 665.4373       107.9018 81.19109 3.471255 73.27563 6.086486 7.915451       7.006777 
1 1 1 62  2  2  o 33.83587 6.152352 150.7327       45.70781 152.5296       52.41926 145.0327       93.36386 34.44866 6.528459 33.22308 10.43000 1.225582       12.30470 
1 1 1 62  2  3  o 63.98951 3.986143 524.1970       54.37137 543.8582       64.12090 473.8846       102.5730 66.60924 3.978898 61.36977 6.908380 5.239464       7.972286 
1 1 1 62  2  4  o 93.62411 3.464339 1020.263       65.87369 969.3458       74.23758 1208.804       142.8549 89.00168 3.447651 98.24655 6.010015 -9.244873      6.928678 
1 1 1 62  2  5  o 47.74142 5.469794 275.2183       53.85013 252.0656       61.70400 349.1969       110.2974 44.82344 5.689916 50.65940 9.343416 -5.835960      10.93959 
1 1 1 62  2  6  o 17.01203 5.653734 -37.07605      45.25610 -31.39593      49.83680 -63.78345      108.0656 13.97463 6.425393 20.04943 9.304470 -6.074805      11.30747 
1 1 1 62  4  0  o 62.64643 4.100773 504.1870       52.40454 522.7899       60.45361 447.9477       105.1119 65.43649 3.818563 59.85637 7.258371 5.580116       8.201547 
1 1 1 62  4  1  o 119.2867 3.230071 1715.768       79.03563 1689.092       90.09225 1804.878       164.6613 117.7553 3.162311 120.8182 5.633225 -3.062836      6.460143 
1 1 1 62  4  2  o 48.96128 5.560463 338.8686       49.19112 360.2298       55.38961 259.1315       107.0154 54.19422 4.224478 43.72834 10.28731 10.46588       11.12093 
1 1 1 62  4  3  o 72.48399 3.832147 657.2405       57.53397 662.3218       66.30808 641.7609       115.7324 73.54162 3.726756 71.42635 6.697214 2.115265       7.664293 
1 1 1 62  4  4  o 102.3272 3.610302 1334.012       73.47055 1361.613       83.53635 1239.738       154.3851 105.5135 3.272389 99.14095 6.436505 6.372597       7.220604 
1 1 1 62  4  5  o 47.79331 5.801705 267.6801       54.99321 240.2640       61.68781 373.8251       121.3797 43.67795 5.837606 51.90867 10.02803 -8.230717      11.60341 
1 1 1 62  4  6  o 58.92483 5.412435 484.3259       59.80631 506.6707       68.20565 409.9940       124.3997 63.83161 4.416541 54.01804 9.882914 9.813568       10.82487 
1 1 1 62  6  0  o 64.91792 4.444403 517.1057       54.35337 513.1243       60.23348 534.5627       126.1259 64.79731 3.842188 65.03852 8.015513 -0.2412109     8.888805 
1 1 1 62  6  1  o 24.38298 6.223457 70.19501       45.65781 91.30896       50.25722 -29.57763      109.2495 26.53055 7.497599 22.23542 9.935375 4.295135       12.44691 
1 1 1 62  6  2  o 74.16786 3.786768 653.4276       57.33117 630.0376       64.94631 735.9905       122.0205 71.74056 3.741859 76.59515 6.584598 -4.854591      7.573535 
1 1 1 62  6  3  o 54.74384 6.057202 460.2105       55.46280 499.9281       61.75592 294.5865       126.1098 63.79050 4.001476 45.69717 11.43446 18.09333       12.11440 
1 1 1 62  6  4  o 39.42845 6.578624 226.3259       54.12844 240.7373       60.74035 170.7317       119.2994 43.80764 5.730931 35.04927 11.84355 8.758369       13.15725 
1 1 1 62  6  5  o 85.04842 3.983083 838.8333       65.92062 792.4965       73.08417 1041.047       152.6742 80.19522 3.766799 89.90160 7.019332 -9.706383      7.966166 
1 1 1 62  8  0  o 26.59897 6.651739 82.14686       46.87036 85.98975       52.25093 66.31767       106.0461 25.85140 7.744935 27.34655 10.81659 -1.495148      13.30348 
1 1 1 62  8  1  o 43.63926 6.199622 304.8522       51.25378 342.3716       57.44347 158.3581       113.5071 52.73835 4.502066 34.54016 11.55304 18.19818       12.39924 
1 1 1 62  8  2  o 54.33680 5.321849 381.9012       54.26973 382.8051       60.99201 378.4652       118.9131 55.70213 4.525837 52.97148 9.633541 2.730644       10.64370 
1 1 1 62  8  3  o 60.61695 5.158414 423.8964       60.00524 396.0695       66.13495 553.4801       142.7163 56.49463 4.838621 64.73927 9.111788 -8.244637      10.31683 
1 1 1 62  8  4  o 81.68349 4.276362 850.3010       66.69860 854.5042       74.54662 833.4325       149.3405 83.32725 3.697759 80.03973 7.712048 3.287514       8.552725 
1 1 1 62  10 0  o 35.75652 6.905083 148.2885       50.28289 132.5042       55.38919 222.2487       119.8981 31.71605 7.360419 39.79700 11.68524 -8.080954      13.81017 
1 1 1 62  10 1  o 76.43028 4.453744 775.7127       62.41975 800.8388       69.45512 670.1964       142.3316 80.84506 3.550982 72.01551 8.169080 8.829552       8.907488 
1 1 1 62  10 2  o 33.45943 6.645286 167.9011       54.80094 191.2038       60.52326 61.85604       129.1113 38.84849 6.439406 28.07037 11.62641 10.77812       13.29057 
1 1 1 62  10 3  o 35.35549 8.705229 171.8165       73.96682 171.8165       73.96682 0.000000       0.000000 35.35549 8.705229 ?        ?        ?              ?        
1 1 1 62  12 0  o 82.88536 4.470398 859.1592       66.53633 854.5214       72.89113 882.3320       162.9327 83.43291 3.611062 82.33781 8.179124 1.095108       8.940796 
1 1 1 62  12 1  o 86.60281 4.253365 915.7244       67.68241 898.5429       74.34280 998.9293       163.5996 85.50428 3.593757 87.70135 7.710341 -2.197075      8.506729 
1 1 1 63  1  0  o 41.01060 5.862535 249.9260       47.34961 277.6332       53.85811 155.6216       99.36199 47.56498 4.680168 34.45621 10.75050 13.10878       11.72507 
1 1 1 63  1  1  o 66.25597 3.775955 558.2450       52.53949 576.4738       61.35846 508.1499       101.7170 68.69434 3.691911 63.81761 6.587954 4.876724       7.551910 
1 1 1 63  1  2  o 28.34949 5.933305 108.7342       52.62104 170.7060       63.28055 -30.16062      94.73626 36.15274 7.481420 20.54624 9.211124 15.60651       11.86661 
1 1 1 63  1  3  o 24.72454 5.570734 68.23314       41.44832 125.4538       60.19621 16.64736       57.15548 30.73830 8.012569 18.71079 7.741512 12.02751       11.14147 
1 1 1 63  1  4  o 35.39378 5.867848 169.5785       50.46997 115.5495       71.02577 224.6844       71.73009 29.42974 9.073999 41.35782 7.442387 -11.92808      11.73570 
1 1 1 63  1  5  o 97.78876 2.920497 1181.783       69.07806 1168.798       98.43746 1194.382       96.96150 97.23224 4.184541 98.34528 4.075149 -1.113045      5.840995 
1 1 1 63  1  6  o 34.03654 10.76262 168.1142       99.24644 168.1142       99.24644 0.000000       0.000000 34.03654 10.76262 ?        ?        ?              ?        
1 1 1 63  3  0  o 54.10960 4.551762 374.7793       51.31612 386.2053       59.69117 342.4153       100.4603 56.13410 4.395224 52.08511 7.972210 4.048988       9.103523 
1 1 1 63  3  1  o 18.46944 5.849588 -27.80701      43.97992 -40.22172      49.55533 18.23914       95.43743 13.59334 6.305663 23.34554 9.854407 -9.752205      11.69918 
1 1 1 63  3  2  o 53.05704 4.384275 288.4118       49.63352 226.8640       56.25737 504.5806       105.4314 42.77772 5.435750 63.33635 6.880414 -20.55863      8.768550 
1 1 1 63  3  3  o 26.32242 6.712021 77.93404       47.67331 77.20686       53.54697 80.71387       104.6941 24.66134 7.916934 27.98350 10.84099 -3.322161      13.42404 
1 1 1 63  3  4  o 27.08559 7.050984 66.83994       52.08894 46.40765       58.73913 142.0583       112.7018 21.48405 8.171459 32.68713 11.49316 -11.20309      14.10197 
1 1 1 63  3  5  o 30.12168 6.948644 120.3184       52.25423 121.7585       58.93716 115.0268       112.9775 29.96757 7.984922 30.27579 11.37434 -0.3082294     13.89729 
1 1 1 63  5  0  o 48.03038 6.112505 380.5065       51.92129 433.2132       58.31587 178.9411       114.0413 59.48606 4.051998 36.57469 11.53396 22.91138       12.22501 
1 1 1 63  5  1  o 78.01242 3.734649 668.5393       57.17030 615.5751       63.23966 905.4135       133.7388 70.94776 3.684245 85.07708 6.497442 -14.12932      7.469298 
1 1 1 63  5  2  o 43.06638 5.995673 267.8825       50.97555 289.8248       58.26802 196.3117       105.2342 48.40831 4.975172 37.72445 10.91055 10.68386       11.99135 
1 1 1 63  5  3  o 26.76074 6.928964 83.94429       50.96098 91.11114       56.06204 49.85128       122.2750 26.39573 8.048292 27.12576 11.28128 -0.7300339     13.85793 
1 1 1 63  5  4  o 35.24658 6.614413 177.9367       52.83508 190.2429       59.28062 130.3986       116.5124 38.74610 6.323862 31.74705 11.61941 6.999048       13.22883 
1 1 1 63  5  5  o 18.14231 7.875101 0.6247458      64.14220 0.6247458      64.14220 0.000000       0.000000 18.14231 7.875101 ?        ?        ?              ?        
1 1 1 63  7  0  o 24.64211 6.402401 69.42384       49.32417 93.05287       54.89887 -29.51815      112.3390 26.78549 7.919058 22.49873 10.06238 4.286758       12.80480 
1 1 1 63  7  1  o 69.87546 4.208334 629.3179       57.84390 645.2190       65.60993 573.8251       122.5675 72.57750 3.736503 67.17342 7.541807 5.404076       8.416668 
1 1 1 63  7  2  o 64.42389 4.272554 499.9041       55.25410 483.9895       62.25636 558.9530       119.9198 62.72235 4.102599 66.12543 7.495836 -3.403072      8.545108 
1 1 1 63  7  3  o 77.32100 4.285976 676.2092       63.89898 629.8827       70.44975 891.1362       151.7435 71.48250 4.073591 83.15949 7.542163 -11.67699      8.571953 
1 1 1 63  7  4  o 46.05680 5.736331 267.7406       63.91905 267.7406       63.91905 0.000000       0.000000 46.05680 5.736331 ?        ?        ?              ?        
1 1 1 63  9  0  o 16.10211 5.421631 -55.51396      46.89999 -38.19612      52.05682 -130.1606      108.0777 14.08677 6.509192 18.11744 8.672183 -4.030668      10.84326 
1 1 1 63  9  1  o 39.66467 5.989507 123.1011       50.30096 61.87152       55.29277 417.0137       121.1426 22.88463 8.050007 56.44471 8.870973 -33.56008      11.97901 
1 1 1 63  9  2  o 21.66856 6.689282 3.321079       52.44341 -4.781321      58.10984 38.89352       121.7586 17.07453 7.452512 26.26258 11.11063 -9.188053      13.37856 
1 1 1 63  11 0  o 19.44841 5.942049 5.803470       49.76683 41.74183       54.00087 -196.7876      128.2129 20.55146 7.830585 18.34537 8.939446 2.206083       11.88410 
1 1 1 63  11 1  o 87.43329 4.208407 991.4646       68.93737 1008.633       76.85268 920.7615       155.9609 90.62524 3.505158 84.24135 7.652231 6.383888       8.416815 
1 1 1 64  0  0  o 21.84633 7.308742 87.48900       61.91519 87.48900       61.91519 87.48900       61.91519 21.84633 10.33612 21.84633 10.33612 0.000000       0.000000 
1 1 1 64  0  1  o 119.9763 2.706514 1756.746       110.8462 1756.746       110.8462 1756.746       110.8462 119.9763 3.827589 119.9763 3.827589 0.000000       0.000000 
1 1 1 64  0  2  o 11.41389 5.422787 -21.85945      60.01621 -21.85945      60.01621 -21.85945      60.01621 11.41389 7.668979 11.41389 7.668979 0.000000       0.000000 
1 1 1 64  0  3  f 66.02293 3.482670 542.4641       77.66626 542.4641       77.66626 542.4641       77.66626 66.02293 4.925239 66.02293 4.925239 0.000000       0.000000 
1 1 1 64  0  4  o 40.51844 5.772610 227.3040       70.92328 227.3040       70.92328 227.3040       70.92328 40.51844 8.163703 40.51844 8.163703 0.000000       0.000000 
1 1 1 64  0  5  o 87.00359 4.176409 950.0298       123.0095 950.0298       123.0095 950.0298       123.0095 87.00359 5.906334 87.00359 5.906334 0.000000       0.000000 
1 1 1 64  2  0  o 56.53083 4.147992 388.8986       51.52095 378.6588       60.87438 414.7531       96.72944 55.52764 4.531302 57.53403 6.949147 -2.006393      8.295984 
1 1 1 64  2  1  f 42.45287 5.643616 219.6669       48.90820 206.9615       55.82343 261.6300       101.4509 40.83390 5.650584 44.07185 9.771003 -3.237946      11.28723 
1 1 1 64  2  2  o 51.70631 5.125635 370.6940       50.66904 396.9577       58.48068 291.6122       101.4782 56.81450 4.254523 46.59812 9.326713 10.21638       10.25127 
1 1 1 64  2  3  o 55.73613 5.097906 380.3071       56.50817 368.4590       63.50788 425.3421       123.8167 54.53271 4.813581 56.93955 8.987993 -2.406837      10.19581 
1 1 1 64  2  4  o 65.93340 4.375918 548.4567       58.96898 547.0900       67.45792 552.8852       121.4255 66.54880 4.189773 65.31799 7.683778 1.230804       8.751837 
1 1 1 64  4  0  o 77.35569 3.902334 765.0844       59.93051 784.8892       68.18237 697.7990       125.6746 80.16384 3.515534 74.54754 6.968061 5.616302       7.804669 
1 1 1 64  4  1  o 36.73718 6.268191 196.8898       49.51806 215.5436       55.69195 126.4723       108.2052 41.66665 5.524609 31.80770 11.25342 9.858948       12.53638 
1 1 1 64  4  2  o 13.83987 4.805330 -95.47763      43.63050 -87.07064      49.65107 -123.9738      91.41172 11.38268 5.550214 16.29706 7.846013 -4.914381      9.610660 
1 1 1 64  4  3  f 45.79774 6.451147 285.7224       56.45837 289.0028       63.16807 272.6948       125.8812 48.10228 5.427872 43.49321 11.70502 4.609074       12.90229 
1 1 1 64  4  4  o 24.39692 6.779265 59.30563       52.22246 62.93755       59.23187 46.62701       110.6684 23.09504 8.309400 25.69880 10.71390 -2.603764      13.55853 
1 1 1 64  6  0  o 23.97644 6.160830 65.87864       48.48383 97.47129       53.49234 -79.52409      114.7585 27.30089 7.742096 20.65198 9.585575 6.648911       12.32166 
1 1 1 64  6  1  o 63.38880 4.240605 492.0679       54.72338 483.1640       62.20531 522.5461       115.0888 62.70243 4.100537 64.07517 7.424051 -1.372738      8.481211 
1 1 1 64  6  2  o 23.11830 6.578007 15.72062       48.95484 -10.14131      55.35541 108.5544       104.8776 16.34175 7.199158 29.89485 11.01149 -13.55309      13.15601 
1 1 1 64  6  3  o 27.27068 7.439847 68.48875       58.79822 53.39366       66.09451 125.7585       128.7390 22.71919 8.661579 31.82217 12.09886 -9.102982      14.87969 
1 1 1 64  8  0  o 47.95835 6.087202 319.6165       53.04145 330.4706       59.10604 274.7174       120.2130 51.70746 4.724723 44.20924 11.22021 7.498226       12.17440 
1 1 1 64  8  1  o 17.15137 5.701845 -51.99743      47.54369 -55.17305      53.41197 -39.88103      104.3304 13.38871 6.317545 20.91402 9.493828 -7.525315      11.40369 
1 1 1 64  8  2  o 78.12302 4.318657 757.5987       65.18958 748.5718       72.81515 794.0511       146.3244 77.97320 3.859883 78.27283 7.726868 -0.2996368     8.637314 
1 1 1 64  10 0  o 86.54153 4.001407 938.2773       65.80262 937.9117       73.28804 939.7977       149.4580 87.45479 3.463755 85.62827 7.214391 1.826515       8.002814 
1 1 1 65  1  0  o 86.77768 2.796272 922.6381       58.67284 882.8387       82.65055 963.0703       83.30517 84.87128 4.025156 88.68409 3.882612 -3.812813      5.592545 
1 1 1 65  1  1  f 75.03545 3.024148 692.4420       54.87898 686.0132       78.47836 698.5942       76.77100 74.67538 4.343803 75.39553 4.208713 -0.7201538     6.048296 
1 1 1 65  1  2  o 24.72083 5.824102 70.15070       44.14326 116.9753       62.13070 22.41901       62.72961 29.61412 8.324924 19.82755 8.147166 9.786577       11.64820 
1 1 1 65  1  3  o 17.89133 5.593616 -19.13826      48.89320 -53.01954      69.46300 14.13045       68.83218 15.96317 7.425457 19.81948 8.367600 -3.856313      11.18723 
1 1 1 65  1  4  o 25.73307 6.629936 71.40573       52.35171 45.79196       65.30236 117.4777       87.58112 21.85981 8.535954 29.60633 10.14701 -7.746525      13.25987 
1 1 1 65  3  0  o 94.22809 3.447841 1067.737       65.65826 1045.385       74.29957 1147.412       140.2773 92.53207 3.318882 95.92410 6.044456 -3.392036      6.895681 
1 1 1 65  3  1  o 61.44440 4.197991 393.8826       53.27097 333.0334       59.58019 636.4069       118.9465 51.92774 4.742421 70.96105 6.928344 -19.03331      8.395982 
1 1 1 65  3  2  o 55.93122 5.269171 453.6132       55.68414 504.6235       64.96965 312.4331       108.0858 64.00040 4.195903 47.86205 9.667007 16.13836       10.53834 
1 1 1 65  3  3  o 50.85693 5.357162 268.0237       55.59865 219.2918       61.75915 476.3831       127.7031 41.65719 6.127862 60.05667 8.788971 -18.39948      10.71432 
1 1 1 65  5  0  o 34.16877 5.909570 195.1058       51.00883 241.4647       56.78722 1.457466       116.0623 44.11370 5.320774 24.22384 10.55374 19.88986       11.81914 
1 1 1 65  5  1  o 75.91568 3.739068 719.6405       58.88089 722.6282       67.85165 710.5295       118.4885 76.77754 3.652783 75.05382 6.525312 1.723724       7.478136 
1 1 1 65  5  2  o 39.85806 6.362079 203.4526       52.99704 194.6431       60.33746 233.1945       110.8657 39.23174 6.356926 40.48438 11.02242 -1.252644      12.72416 
1 1 1 65  5  3  o 33.29168 6.557495 171.1840       54.36498 196.7853       59.78160 48.80429       130.7047 39.35701 6.278315 27.22636 11.51459 12.13065       13.11499 
1 1 1 65  7  0  o 65.94836 4.292032 544.4799       57.55999 543.4865       65.67886 547.7692       119.5156 66.46870 4.084191 65.42802 7.550202 1.040688       8.584064 
1 1 1 65  7  1  o 37.12978 6.630430 146.2668       51.98928 107.1050       58.41228 295.5384       114.0411 28.32282 8.110542 45.93674 10.49140 -17.61392      13.26086 
1 1 1 65  7  2  o 54.93410 5.795284 402.0132       56.65736 403.7724       62.77857 394.2891       131.5472 57.04414 4.548813 52.82405 10.66066 4.220081       11.59057 
1 1 1 65  9  0  o 47.71905 6.274554 349.4023       54.71910 379.9779       61.45872 232.4807       120.1831 55.37007 4.587817 40.06802 11.68041 15.30205       12.54911 
1 1 1 66  0  0  o 13.29493 6.094574 -0.7051720E-01 65.79270 -0.7051720E-01 65.79270 -0.7051720E-01 65.79270 13.29493 8.619030 13.29493 8.619030 0.000000       0.000000 
1 1 1 66  0  1  o 84.54623 2.926826 878.2180       84.20312 878.2180       84.20312 878.2180       84.20312 84.54623 4.139156 84.54623 4.139156 0.000000       0.000000 
1 1 1 66  0  2  o 138.4410 2.778068 2344.067       131.3509 2344.067       131.3509 2344.067       131.3509 138.4410 3.928782 138.4410 3.928782 0.000000       0.000000 
1 1 1 66  0  3  o 111.5993 2.807272 1527.333       106.8846 1527.333       106.8846 1527.333       106.8846 111.5993 3.970082 111.5993 3.970082 0.000000       0.000000 
1 1 1 66  2  0  o 43.04555 6.190744 261.6765       52.23549 275.8859       59.06968 210.7079       111.8740 47.17736 5.175218 38.91373 11.24804 8.263630       12.38149 
1 1 1 66  2  1  o 74.22142 3.776067 698.4392       58.75150 712.3671       68.34542 659.0125       114.9907 76.20790 3.706868 72.23494 6.579806 3.972961       7.552133 
1 1 1 66  2  2  o 53.26209 5.009992 346.7206       56.12475 330.7526       64.43788 396.9066       114.2371 51.50959 5.170718 55.01459 8.582759 -3.504997      10.01998 
1 1 1 66  2  3  o 20.08781 8.930376 -13.78941      87.09260 -13.78941      87.09260 0.000000       0.000000 20.08781 8.930376 ?        ?        ?              ?        
1 1 1 66  4  0  f 41.16029 6.395265 242.0230       53.26175 256.3980       60.12846 189.6490       114.7713 45.38083 5.476529 36.93975 11.55877 8.441078       12.79053 
1 1 1 66  4  1  o 25.94615 6.576091 81.63892       49.04695 90.80803       56.15624 52.14753       100.7122 26.32680 8.060356 25.56550 10.39281 0.7612991      13.15218 
1 1 1 66  4  2  f 64.77884 4.532711 535.5578       59.45078 538.3930       67.89097 526.2344       123.1142 66.00139 4.251641 63.55630 8.006585 2.445091       9.065421 
1 1 1 66  6  0  o 29.79950 6.736801 117.5030       50.43977 122.5794       57.43235 100.3807       105.4767 30.30565 7.790212 29.29335 10.99320 1.012304       13.47360 
1 1 1 66  6  1  o 29.37082 6.880556 106.6756       50.66935 99.81226       57.80312 129.4468       105.2876 27.37651 8.133413 31.36512 11.10026 -3.988607      13.76111 
1 1 1 66  8  0  o 85.41206 4.079570 935.7163       67.42716 949.0352       75.85070 885.5443       147.2169 87.90464 3.566527 82.91949 7.338354 4.985153       8.159140 
1 1 1 67  1  0  o 125.5454 2.817592 1937.387       85.58153 1938.787       121.1885 1935.995       120.8733 125.5887 3.988489 125.5021 3.980860 0.8664703E-01  5.635184 
1 1 1 67  1  1  o 21.13600 5.689219 23.90003       46.18797 -45.78786      66.21624 89.93726       64.45851 15.85726 7.332199 26.41475 8.701019 -10.55749      11.37844 
1 1 1 67  1  2  o 28.25755 7.176427 99.46597       62.51355 118.6675       92.07517 83.04581       85.14588 29.94252 10.39614 26.57258 9.895691 3.369940       14.35285 
1 1 1 67  3  0  o 50.63620 5.911087 375.9416       55.33072 407.3098       63.05407 270.9102       115.3795 57.40760 4.539848 43.86479 10.91575 13.54281       11.82217 
1 1 1 67  3  1  o 29.28629 6.554801 119.6918       51.03217 136.7871       58.77025 67.29327       102.8914 31.95547 7.693903 26.61712 10.61440 5.338352       13.10960 
1 1 1 67  5  0  o 39.55613 6.372680 202.7021       52.24595 196.6638       59.18039 224.0333       111.2323 39.47366 6.196809 39.63859 11.13749 -0.1649323     12.74536 
1 1 1 67  5  1  o 66.03525 5.126128 544.7047       81.89691 544.7047       81.89691 0.000000       0.000000 66.03525 5.126128 ?        ?        ?              ?        
1 1 1 68  0  0  o 16.15682 6.853532 37.03998       67.98266 37.03998       67.98266 37.03998       67.98266 16.15682 9.692358 16.15682 9.692358 0.000000       0.000000 
1 1 1 68  0  1  o 20.96926 8.087281 83.09340       82.38786 83.09340       82.38786 83.09340       82.38786 20.96926 11.43714 20.96926 11.43714 0.000000       0.000000 
1 1 1 68  2  0  o 63.66487 4.134332 460.2566       56.48204 409.3593       64.75579 622.1297       115.4831 57.46164 4.657988 69.86811 6.831834 -12.40648      8.268664 
1 1 1 68  4  0  o 32.16941 6.775678 137.9826       51.64458 135.6712       59.38929 145.1517       104.5930 31.75631 7.789074 32.58250 11.08916 -0.8261929     13.55136 
# 
#END OF REFLECTIONS
