data_r3wbqsf
# 
_audit.revision_id    1_0
_audit.creation_date  2013-12-25
_audit.update_record   'Initial release' 
# 
_cell.entry_id      3wbq 
_cell.length_a      117.1850 
_cell.length_b      37.3240 
_cell.length_c      70.9570 
_cell.angle_alpha   90.0000 
_cell.angle_beta    116.9250 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.98000 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.302 
_diffrn_reflns.pdbx_d_res_low    63.265 
_diffrn_reflns.limit_h_max       45 
_diffrn_reflns.limit_h_min       -50 
_diffrn_reflns.limit_k_max       16 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       30 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            12433 
_diffrn_reflns.pdbx_number_obs   12233 
# 
_entry.id   3wbq 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               3wbq 
_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  -50    0    9 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -50    0   10 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -50    0   11 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -50    0   12 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -50    0   13 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -50    0   14 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -50    0   15 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -50    0   16 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -50    0   17 o 5.064240 3.280656  0.000000 0.9000000   0.000000 0.9000000   0.000000 0.9000000   5.064240 3.280656   5.064240   3.280656 0.000000 0.000000 
1 1 1  -50    0   18 o 8.844584 4.584083  1.400000 1.200000   1.400000 1.200000   1.400000 1.200000   8.844584 4.584083   8.844584   4.584083 -0.000000 0.000000 
1 1 1  -50    2   10 o 19.40983 3.538646  5.126667 1.097778   5.000000 1.900000   5.300000 2.600000   19.46204 4.369899   19.35761   5.567050 0.1044292 7.077292 
1 1 1  -50    2   11 o 23.61935 2.735186  7.105000 0.9900000   7.600000 1.800000   6.500000 2.200000   25.02186 3.141178   22.21684   4.478612 2.805025 5.470372 
1 1 1  -50    2   12 o 24.95278 2.530886  7.431707 0.9756098   6.300000 1.600000   9.200000 2.500000   22.83233 3.059916   27.07323   4.032177 -4.240904 5.061772 
1 1 1  -50    2   13 o 39.30251 2.444230  18.30000 2.200000   18.30000 2.200000          ?        ?   39.30251 2.444230          ?          ?       ?       ? 
1 1 1  -50    2   14 o 10.77904 3.309309 0.2325581 1.046512  0.4000000 1.800000   0.000000 2.500000   10.29720 4.375317   11.26088   4.966158 -0.9636803 6.618619 
1 1 1  -50    2   15 o 52.42287 1.621901  32.34909 1.370909   37.20000 2.900000   28.00000 2.600000   56.16644 2.254555   48.67930   2.332216 7.487137 3.243802 
1 1 1  -50    2   16 o 30.07530 2.822465  11.71177 1.270588   14.30000 2.400000   8.800000 2.700000   34.39024 3.047304   25.76036   4.751754 8.629879 5.644929 
1 1 1  -50    2   17 o 24.07485 3.084156  7.487234 1.170213   7.700000 2.500000   7.300000 2.200000   24.05583 4.706504   24.09386   3.987090 -0.3802681E-01 6.168311 
1 1 1  -49    1    7 o 38.02174 1.936258  17.18511 1.131915   16.70000 1.900000   17.90000 2.800000   37.64864 2.203657   38.39482   3.184381 -0.7461815 3.872517 
1 1 1  -49    1    8 o 22.17442 2.653179  6.244444 0.8888889   7.000000 1.600000   5.300000 2.000000   24.19394 2.887707   20.15491   4.451807 4.039034 5.306358 
1 1 1  -49    1    9 o 20.05318 2.503315  4.875000 0.7875000   4.000000 1.400000   6.000000 1.800000   17.88292 3.543718   22.22343   3.536723 -4.340511 5.006630 
1 1 1  -49    1   10 o 13.34915 2.656423  2.220833 0.5958333   1.900000 1.100000   2.600000 1.300000   12.36862 3.639649   14.32967   3.870307 -1.961051 5.312845 
1 1 1  -49    1   11 o 45.46581 1.029813  23.94000 0.7366667   24.20000 1.300000   23.60000 1.700000   45.81144 1.239108   45.12019   1.645196 0.6912537 2.059626 
1 1 1  -49    1   12 o 85.36514 1.175931  83.98615 1.606154   78.90000 2.900000   90.30000 3.600000   82.56571 1.533692   88.16458   1.782987 -5.598869 2.351861 
1 1 1  -49    1   13 o 40.84149 1.069149  19.20000 1.000000   19.20000 1.000000          ?        ?   40.84149 1.069149          ?          ?       ?       ? 
1 1 1  -49    1   14 o 86.06853 1.217605  85.40000 2.400000   85.40000 2.400000          ?        ?   86.06853 1.217605          ?          ?       ?       ? 
1 1 1  -49    1   15 o 26.56255 1.808268  8.200000 1.100000   8.200000 1.100000          ?        ?   26.56255 1.808268          ?          ?       ?       ? 
1 1 1  -49    1   16 o 69.88553 1.499559  56.50000 2.400000   56.50000 2.400000          ?        ?   69.88553 1.499559          ?          ?       ?       ? 
1 1 1  -49    1   17 o 22.70199 2.692798  6.100000 1.400000   6.100000 1.400000          ?        ?   22.70199 2.692798          ?          ?       ?       ? 
1 1 1  -49    1   18 o 11.93441 2.894888  1.644444 0.6518519   2.000000 1.600000   1.400000 1.100000   12.92628 4.456234   10.94253   3.696415 1.983751 5.789776 
1 1 1  -49    1   19 o 43.80208 1.250701  22.18000 0.8400000   23.20000 2.100000   21.50000 1.400000   44.50571 2.060361   43.09845   1.418424 1.407257 2.501402 
1 1 1  -49    1   20 o 43.44827 1.430846  22.17500 0.9900000   21.90000 2.200000   22.40000 1.800000   43.09103 2.229336   43.80550   1.794253 -0.7144661 2.861692 
1 1 1  -49    3    8 o 30.88222 2.754439  11.94727 1.370909   11.90000 2.600000   12.00000 2.900000   30.96982 3.665847   30.79462   4.112092 0.1751957 5.508878 
1 1 1  -49    3    9 o 40.61633 2.241105  19.89153 1.464407   17.10000 2.700000   23.20000 3.200000   37.54578 3.140092   43.68689   3.198442 -6.141109 4.482210 
1 1 1  -49    3   10 o 14.01120 3.416220  1.644681 1.170213   4.500000 2.200000  -1.600000 2.500000   18.21561 5.081465   9.806791   4.567379 8.408821 6.832439 
1 1 1  -49    3   11 o 19.39682 3.407955  5.060000 1.232000   7.700000 2.200000   1.700000 2.800000   24.97405 3.846568   13.81960   5.626770 11.15445 6.815910 
1 1 1  -49    3   12 f 13.24397 3.522305  1.300000 1.147826 -0.9000000 2.200000   3.700000 2.400000   9.787635 4.457633   16.70029   5.454910 -6.912660 7.044610 
1 1 1  -49    3   13 o 36.85998 2.219018  16.23208 1.313208   15.10000 2.400000   17.60000 2.900000   35.55040 2.947857   38.16955   3.317575 -2.619152 4.438036 
1 1 1  -49    3   14 o 52.87878 1.987142  33.30000 1.700000   31.70000 3.400000   34.90000 3.400000   51.55755 2.879562   54.20001   2.739172 -2.642460 3.974285 
1 1 1  -49    3   15 o 33.35854 2.329215  13.45200 1.248000   11.10000 2.400000   16.00000 2.600000   30.22423 3.467334   36.49284   3.111038 -6.268608 4.658430 
1 1 1  -49    3   16 o 37.66726 2.876991  17.70000 1.750000   19.10000 3.500000   16.30000 3.500000   39.29020 3.889766   36.04431   4.240050 3.245892 5.753982 
1 1 1  -49    3   17 o 41.99643 2.205488  21.21333 1.493333   18.60000 2.800000   24.20000 3.200000   39.23937 3.115844   44.75349   3.122215 -5.514126 4.410976 
1 1 1  -49    3   18 o 23.28146 2.626676  5.977777 0.6222222   8.700000 2.800000   5.200000 0.8000000   25.42711 4.986589   21.13580   1.652764 4.291311 5.253351 
1 1 1  -48    0    5 o 54.56228 2.168564  34.70000 2.700000   34.70000 2.700000   34.70000 2.700000   54.56228 2.168564   54.56228   2.168564 -0.000000 0.000000 
1 1 1  -48    0    6 o 30.88516 2.144451  11.20000 1.500000   11.20000 1.500000   11.20000 1.500000   30.88516 2.144451   30.88516   2.144451 0.000000 0.000000 
1 1 1  -48    0    7 o 19.16164 2.651535  4.500000 1.100000   4.500000 1.100000   4.500000 1.100000   19.16164 2.651535   19.16164   2.651535 0.000000 0.000000 
1 1 1  -48    0    8 o 51.90856 1.179057  31.00000 1.400000   31.00000 1.400000   31.00000 1.400000   51.90856 1.179057   51.90856   1.179057 -0.000000 0.000000 
1 1 1  -48    0    9 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -48    0   10 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -48    0   11 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -48    0   12 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -48    0   13 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -48    0   14 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -48    0   15 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -48    0   16 o 31.25149 1.403680  11.30000 1.000000   11.30000 1.000000   11.30000 1.000000   31.25149 1.403680   31.25149   1.403680 -0.000000 0.000000 
1 1 1  -48    0   17 o 4.558645 3.145590 -0.8000000 1.100000 -0.8000000 1.100000 -0.8000000 1.100000   4.558645 3.145590   4.558645   3.145590 0.000000 0.000000 
1 1 1  -48    0   18 o 5.414444 3.647006 -0.5000000 1.300000 -0.5000000 1.300000 -0.5000000 1.300000   5.414444 3.647006   5.414444   3.647006 -0.000000 0.000000 
1 1 1  -48    0   19 f 42.84718 1.842129  21.30000 1.800000   21.30000 1.800000   21.30000 1.800000   42.84718 1.842129   42.84718   1.842129 -0.000000 0.000000 
1 1 1  -48    0   20 o 62.22533 1.828078  44.80000 2.600000   44.80000 2.600000   44.80000 2.600000   62.22533 1.828078   62.22533   1.828078 0.000000 0.000000 
1 1 1  -48    0   21 o 35.59686 2.608191  15.00000 2.100000   15.00000 2.100000   15.00000 2.100000   35.59686 2.608191   35.59686   2.608191 0.000000 0.000000 
1 1 1  -48    0   22 o 44.49313 2.270721  23.20000 2.300000   23.20000 2.300000   23.20000 2.300000   44.49313 2.270721   44.49313   2.270721 0.000000 0.000000 
1 1 1  -48    2    5 o 17.67588 3.129786  4.000000 0.7297297   4.000000 1.000000   4.000000 2.700000   18.37387 2.376506   16.97788   5.790895 1.395998 6.259573 
1 1 1  -48    2    6 o 37.88353 2.364786  17.78929 1.383929   20.20000 2.500000   14.80000 3.100000   41.22482 2.648018   34.54223   3.918782 6.682594 4.729571 
1 1 1  -48    2    7 o 53.79199 2.191724  33.90000 2.700000   33.90000 2.700000          ?        ?   53.79199 2.191724          ?          ?       ?       ? 
1 1 1  -48    2    8 f 14.28922 3.652975  2.350000 1.100000   3.000000 2.200000   1.700000 2.200000   15.42966 5.227446   13.14878   5.103989 2.280876 7.305949 
1 1 1  -48    2    9 o 39.60434 1.643728  18.45000 1.050000   16.60000 2.100000   20.30000 2.100000   37.56463 2.441068   41.64405   2.201943 -4.079418 3.287456 
1 1 1  -48    2   10 o 18.33371 3.115791  4.302703 0.9189189   3.200000 1.700000   5.600000 2.000000   15.75126 4.492678   20.91615   4.318386 -5.164883 6.231581 
1 1 1  -48    2   11 o 30.25694 2.070521  10.91500 0.9775000   11.00000 1.700000   10.80000 2.300000   30.57738 2.427663   29.93649   3.354800 0.6408863 4.141042 
1 1 1  -48    2   12 o 43.39117 1.579123  22.19091 1.097727   24.10000 2.100000   20.10000 2.300000   45.44876 2.017609   41.33357   2.429767 4.115192 3.158245 
1 1 1  -48    2   13 f 23.19935 2.805099  6.712195 1.024390   6.200000 2.100000   7.200000 2.000000   22.03677 4.315547   24.36192   3.584744 -2.325146 5.610199 
1 1 1  -48    2   14 o 24.57750 3.007658  7.826667 1.124444   4.600000 2.200000   11.20000 2.300000   18.63766 5.035245   30.51733   3.290948 -11.87966 6.015316 
1 1 1  -48    2   15 o 33.23360 2.508746  13.34815 1.342593   12.70000 2.500000   14.10000 2.900000   32.45833 3.363207   34.00888   3.723449 -1.550556 5.017492 
1 1 1  -48    2   16 o 59.56699 1.891959  41.90822 1.821918   38.60000 3.500000   45.50000 3.800000   57.11928 2.675623   62.01471   2.675646 -4.895424 3.783919 
1 1 1  -48    2   17 o 44.30114 1.929578  23.58889 1.333333   20.70000 3.000000   25.90000 2.400000   41.57787 3.150640   47.02441   2.228577 -5.446545 3.859156 
1 1 1  -48    2   18 o 38.79116 1.263929  17.84667 0.6966667   16.20000 1.900000   18.80000 1.100000   37.19309 2.230648   40.38922   1.189233 -3.196129 2.527858 
1 1 1  -48    2   19 o 44.04511 1.265950  22.58055 0.8972222   22.00000 1.900000   23.10000 1.700000   43.46337 1.908842   44.62685   1.663383 -1.163483 2.531901 
1 1 1  -48    2   20 o 73.21198 1.254749  62.63729 1.464407   59.60000 3.200000   65.20000 2.700000   71.44275 1.955832   74.98121   1.572357 -3.538460 2.509499 
1 1 1  -48    2   21 o 13.55043 3.269228  1.868421 0.9263158   4.300000 2.200000  0.1000000 1.600000   17.72317 5.127902   9.377693   4.056604 8.345478 6.538457 
1 1 1  -48    4    8 o 56.38525 2.213215  38.12222 2.000000   33.10000 3.600000   44.40000 4.500000   52.37716 3.001236   60.39334   3.253592 -8.016178 4.426430 
1 1 1  -48    4    9 o 17.92360 4.379151  4.375000 1.593750   5.500000 3.000000   3.100000 3.400000   19.69774 6.059411   16.14945   6.323874 3.548285 8.758302 
1 1 1  -48    4   10 o 16.02276 4.198952  3.027119 1.464407   1.700000 2.700000   4.600000 3.200000   13.73792 5.549959   18.30760   6.302599 -4.569675 8.397904 
1 1 1  -48    4   11 o 27.71779 3.532927  10.06885 1.514754   5.800000 2.800000   15.10000 3.300000   20.54081 5.733572   34.89477   4.129460 -14.35396 7.065854 
1 1 1  -48    4   12 o 15.98738 3.974473  2.262069 1.406897 -0.8000000 2.400000   6.600000 3.400000   10.38241 4.699893   21.59234   6.410674 -11.20993 7.948946 
1 1 1  -48    4   13 o 20.58316 4.532437  5.952239 1.671642   6.000000 3.200000   5.900000 3.500000   20.72082 6.234637   20.44551   6.580368 0.2753010 9.064875 
1 1 1  -48    4   14 o 19.98059 4.011019  5.433333 1.424561   3.500000 2.900000   7.300000 2.800000   16.61519 5.976227   23.34599   5.351429 -6.730801 8.022038 
1 1 1  -48    4   15 o 32.37960 2.812684  12.88644 1.471186   11.70000 2.800000   14.20000 3.100000   30.81931 3.967114   33.93988   3.988330 -3.120565 5.625369 
1 1 1  -48    4   16 o 41.20345 2.653309  20.52535 1.746479   17.60000 3.100000   24.30000 4.000000   38.02188 3.560146   44.38502   3.935168 -6.363140 5.306617 
1 1 1  -48    4   17 o 18.79058 1.626663  0.000000 0.000000          ?        ?   4.100000 0.7000000          ?        ?   18.79058   1.626663       ?       ? 
1 1 1  -48    4   18 o 19.73283 3.719339  5.350000 0.9428572   3.700000 4.400000   5.800000 1.200000   17.31694 7.052452   22.14873   2.365767 -4.831797 7.438678 
1 1 1  -48    4   19 o 60.77749 1.535420  42.38947 1.192982   46.60000 4.000000   40.60000 1.700000   62.29663 2.803723   59.25835   1.252677 3.038273 3.070841 
1 1 1  -47    1    3 o 55.68524 1.519597  36.16038 1.218868   35.30000 1.900000   37.70000 3.400000   55.15110 1.504316   56.21938   2.640782 -1.068279 3.039194 
1 1 1  -47    1    4 o 23.26708 2.999510  7.217500 0.8775000   7.900000 1.300000   5.800000 2.700000   25.95833 2.186786   20.57583   5.586252 5.382494 5.999020 
1 1 1  -47    1    5 o 12.71916 3.310373  1.633333 0.7222222   1.300000 1.000000   2.500000 2.600000   10.56171 3.524597   14.87661   5.604595 -4.314897 6.620745 
1 1 1  -47    1    6 o 15.77055 2.950869  2.783871 0.6387097   2.000000 0.9000000   4.700000 2.200000   12.69170 3.118723   18.84939   5.010396 -6.157687 5.901737 
1 1 1  -47    1    7 o 57.23469 1.402355  38.14231 1.298077   39.70000 2.700000   36.70000 2.500000   58.33947 2.020882   56.12991   1.944847 2.209557 2.804709 
1 1 1  -47    1    8 o 37.88531 1.560363  16.77632 0.9394737   17.00000 1.700000   16.50000 2.100000   38.24867 1.940762   37.52196   2.443844 0.7267113 3.120726 
1 1 1  -47    1    9 f 65.70754 1.181117  50.04200 1.242000   51.10000 2.300000   48.80000 2.700000   66.52505 1.509671   64.89003   1.816877 1.635025 2.362234 
1 1 1  -47    1   10 o 26.30476 1.644922  8.000000 0.6857143   7.400000 1.200000   8.800000 1.600000   25.21868 2.077776   27.39084   2.550670 -2.172163 3.289844 
1 1 1  -47    1   11 o 35.23514 1.421152  14.90968 0.7677419   17.80000 1.400000   11.40000 1.700000   39.24817 1.557573   31.22210   2.377533 8.026070 2.842304 
1 1 1  -47    1   12 o 9.686769 2.581155 0.8086957 0.5652174   1.200000 1.000000  0.3000000 1.300000   10.33241 3.524226   9.041128   3.772170 1.291282 5.162310 
1 1 1  -47    1   13 o 25.70142 2.208645  7.700000 1.300000   7.700000 1.300000          ?        ?   25.70142 2.208645          ?          ?       ?       ? 
1 1 1  -47    1   14 f 16.54416 2.375404  3.200000 0.9000000   3.200000 0.9000000          ?        ?   16.54416 2.375404          ?          ?       ?       ? 
1 1 1  -47    1   15 o 57.50908 1.518565  38.20000 2.000000   38.20000 2.000000          ?        ?   57.50908 1.518565          ?          ?       ?       ? 
1 1 1  -47    1   16 o 52.66990 1.409374  32.00000 1.700000   32.00000 1.700000          ?        ?   52.66990 1.409374          ?          ?       ?       ? 
1 1 1  -47    1   17 o 13.79665 2.771174  2.284616 0.6153846   2.900000 1.600000   1.900000 1.000000   15.17744 4.367816   12.41585   3.411717 2.761588 5.542349 
1 1 1  -47    1   18 o 26.86784 1.603838  8.300000 0.6857143   9.900000 1.600000   7.100000 1.200000   29.06172 2.404021   24.67396   2.123646 4.387762 3.207677 
1 1 1  -47    1   19 f 36.07558 1.329122  15.16452 0.7741935   14.70000 1.600000   15.60000 1.500000   35.51187 1.967371   36.63929   1.787656 -1.127415 2.658244 
1 1 1  -47    1   20 o 62.92722 1.254005  46.01765 1.270588   45.70000 2.700000   46.30000 2.400000   62.66564 1.881369   63.18880   1.658482 -0.5231628 2.508010 
1 1 1  -47    1   21 o 67.21571 1.217242  52.42076 1.324528   54.00000 2.700000   50.90000 2.600000   68.20536 1.728562   66.22606   1.714289 1.979301 2.434484 
1 1 1  -47    1   22 o 51.37189 1.664302  30.62000 1.320000   33.80000 3.300000   28.50000 2.200000   53.33446 2.701754   49.40933   1.944256 3.925125 3.328604 
1 1 1  -47    1   23 o 54.64183 1.469212  35.06538 1.298077   34.20000 2.500000   36.00000 2.700000   53.97826 2.022371   55.30541   2.131748 -1.327152 2.938424 
1 1 1  -47    3    4 o 22.42300 3.238303  6.218182 0.8727273   5.700000 1.200000   7.600000 3.200000   21.93112 2.389242   22.91488   6.019797 -0.9837570 6.476606 
1 1 1  -47    3    5 o 18.08769 2.811666  5.015790 0.7368421   6.700000 1.000000  0.3000000 2.800000   23.97934 1.820969   12.19604   5.320333 11.78330 5.623333 
1 1 1  -47    3    6 o 27.76138 3.102381  9.729630 1.348148   7.900000 2.600000   11.70000 2.800000   24.67167 4.774252   30.85109   3.963029 -6.179415 6.204763 
1 1 1  -47    3    7 o 45.49451 1.730809  24.34706 1.274510   24.20000 2.500000   24.50000 2.600000   45.37499 2.405820   45.61403   2.488941 -0.2390404 3.461618 
1 1 1  -47    3    8 o 32.84162 3.855789  0.000000 0.000000          ?        ?   13.20000 2.900000          ?        ?   32.84162   3.855789       ?       ? 
1 1 1  -47    3    9 o 37.39917 1.963630  16.67872 1.174468   13.40000 2.300000   20.10000 2.400000   33.51574 2.996531   41.28261   2.538539 -7.766876 3.927261 
1 1 1  -47    3   10 o 41.13868 2.026071  20.05556 1.348148   18.90000 2.600000   21.30000 2.800000   39.92024 2.843936   42.35711   2.886499 -2.436867 4.052142 
1 1 1  -47    3   11 o 27.46824 2.717375  9.200000 1.200000   8.000000 2.400000   10.40000 2.400000   25.56063 4.099957   29.37586   3.567471 -3.815224 5.434749 
1 1 1  -47    3   12 o 42.80717 2.269669  21.70952 1.565079   19.50000 2.900000   24.30000 3.400000   40.49678 3.126923   45.11755   3.290585 -4.620770 4.539339 
1 1 1  -47    3   13 o 28.22015 3.061303  9.742857 1.392857   9.000000 2.600000   10.60000 3.000000   27.12906 4.184835   29.31124   4.469169 -2.182190 6.122607 
1 1 1  -47    3   14 o 39.10932 2.291533  18.25000 1.450000   19.10000 2.900000   17.40000 2.900000   40.05835 3.161147   38.16030   3.318379 1.898052 4.583066 
1 1 1  -47    3   15 o 15.01905 3.376750  1.685417 1.197917  -2.100000 2.300000   5.800000 2.500000   9.079649 4.277180   20.95845   5.226422 -11.87880 6.753500 
1 1 1  -47    3   16 o 15.74611 4.292145  2.714286 1.542857   3.100000 2.700000   2.200000 3.600000   15.92579 5.761203   15.56642   6.363850 0.3593693 8.584291 
1 1 1  -47    3   17 o 34.89132 1.871608  15.05000 0.6750000   13.10000 2.700000   15.70000 0.9000000   32.85163 3.588777   36.93101   1.064121 -4.079376 3.743217 
1 1 1  -47    3   18 f 37.71484 2.231237  15.94902 0.9686274   19.60000 3.800000   14.70000 1.300000   39.80800 4.168242   35.62168   1.593561 4.186321 4.462474 
1 1 1  -47    3   19 o 22.10791 3.422311  6.725532 0.9829787   4.900000 3.300000   7.500000 1.400000   18.95878 6.402388   25.25703   2.420390 -6.298254 6.844623 
1 1 1  -47    3   20 o 75.42486 1.714581  65.53924 1.670886   70.90000 5.500000   63.20000 2.400000   76.91238 3.122526   73.93733   1.417383 2.975052 3.429161 
1 1 1  -47    3   21 o 16.84166 3.900510  3.450000 1.200000  0.6000000 4.800000   4.400000 1.600000   15.12413 6.762571   18.55919   3.888898 -3.435069 7.801019 
1 1 1  -47    3   22 o 25.89635 3.359783  9.572001 1.152000   6.500000 3.200000   11.30000 1.800000   20.99482 6.216071   30.79787   2.552063 -9.803053 6.719566 
1 1 1  -47    5    7 o 35.66102 2.219877  13.50417 0.7916667   11.90000 1.000000   19.60000 3.800000   32.05443 1.362234   39.26760   4.225605 -7.213177 4.439754 
1 1 1  -47    5    8 o 31.60297 4.010884  14.58000 1.848000   19.20000 3.300000   8.700000 4.200000   39.47026 3.650763   23.73569   7.142877 15.73457 8.021769 
1 1 1  -47    5    9 o 22.82189 4.260030  7.227941 1.686765   3.900000 3.100000   11.20000 3.700000   17.15820 6.178095   28.48558   5.867073 -11.32738 8.520060 
1 1 1  -47    5   10 o 20.77239 4.314888  6.025806 1.535484   5.800000 2.800000   6.300000 3.400000   20.52041 5.735589   21.02437   6.447951 -0.5039577 8.629777 
1 1 1  -47    5   11 o 25.54213 4.063156  8.900000 1.700000   6.300000 3.400000   11.50000 3.400000   21.09446 6.444372   29.98980   4.950455 -8.895338 8.126311 
1 1 1  -47    5   12 o 38.81876 2.667260  18.39552 1.671642   18.50000 3.500000   18.30000 3.200000   38.81613 3.937273   38.82139   3.599305 -0.5256653E-02 5.334521 
1 1 1  -47    5   13 o 41.17589 2.598224  20.66377 1.724638   23.20000 3.500000   18.20000 3.400000   43.78994 3.490064   38.56184   3.850002 5.228100 5.196447 
1 1 1  -47    5   14 o 17.19999 3.808962  1.847761 1.674627  -4.800000 3.400000   8.300000 3.300000   9.834901 4.778605   24.56507   5.932766 -14.73017 7.617925 
1 1 1  -47    5   15 o 24.06681 3.092538  6.362500 0.4375000   8.900000 3.500000   6.000000 0.5000000   25.29271 6.110769   22.84091  0.9558643 2.451797 6.185077 
1 1 1  -47    5   16 o 81.11923 1.804254  80.86548 1.755952   70.40000 5.900000   85.30000 2.500000   76.27326 3.377687   85.96519   1.269864 -9.691933 3.608507 
1 1 1  -47    5   17 o 15.52920 2.935800  3.053125 0.7968750   1.600000 1.500000   4.700000 1.700000   11.89630 4.295587   19.16211   4.002951 -7.265810 5.871599 
1 1 1  -47    5   18 o 18.77866 3.067768  4.678378 0.9243243   5.700000 1.800000   3.600000 1.900000   21.15392 3.857674   16.40340   4.771074 4.750523 6.135536 
1 1 1  -47    5   19 o 15.08715 3.379336  2.884615 0.9692307   1.500000 1.800000   4.500000 2.100000   12.00903 4.629196   18.16527   4.924448 -6.156244 6.758671 
1 1 1  -46    0    1 o 50.81197 2.070268  30.10000 2.400000   30.10000 2.400000   30.10000 2.400000   50.81197 2.070268   50.81197   2.070268 0.000000 0.000000 
1 1 1  -46    0    2 o 25.54096 3.215784  8.000000 1.800000   8.000000 1.800000   8.000000 1.800000   25.54096 3.215784   25.54096   3.215784 0.000000 0.000000 
1 1 1  -46    0    3 o 14.31216 5.687998  3.400000 1.800000   3.400000 1.800000   3.400000 1.800000   14.31216 5.687998   14.31216   5.687998 -0.000000 0.000000 
1 1 1  -46    0    4 f 29.96170 2.365736  10.60000 1.600000   10.60000 1.600000   10.60000 1.600000   29.96170 2.365736   29.96170   2.365736 0.000000 0.000000 
1 1 1  -46    0    5 o 32.75937 1.880260  12.50000 1.400000   12.50000 1.400000   12.50000 1.400000   32.75937 1.880260   32.75937   1.880260 -0.000000 0.000000 
1 1 1  -46    0    6 o 43.39843 2.432246  22.00000 2.400000   22.00000 2.400000   22.00000 2.400000   43.39843 2.432246   43.39843   2.432246 0.000000 0.000000 
1 1 1  -46    0    7 o 6.986028 3.858114 0.8000000 0.9000000  0.8000000 0.9000000  0.8000000 0.9000000   6.986028 3.858114   6.986028   3.858114 -0.000000 0.000000 
1 1 1  -46    0    8 o 28.00402 1.570559  9.100000 1.000000   9.100000 1.000000   9.100000 1.000000   28.00402 1.570559   28.00402   1.570559 -0.000000 0.000000 
1 1 1  -46    0    9 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -46    0   10 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -46    0   11 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -46    0   12 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -46    0   13 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -46    0   14 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -46    0   15 o 12.29519 2.858495  2.000000 0.7000000   2.000000 0.7000000   2.000000 0.7000000   12.29519 2.858495   12.29519   2.858495 0.000000 0.000000 
1 1 1  -46    0   16 o 56.34653 1.319044  36.50000 1.700000   36.50000 1.700000   36.50000 1.700000   56.34653 1.319044   56.34653   1.319044 0.000000 0.000000 
1 1 1  -46    0   17 o 43.01013 1.322644  21.30000 1.300000   21.30000 1.300000   21.30000 1.300000   43.01013 1.322644   43.01013   1.322644 0.000000 0.000000 
1 1 1  -46    0   18 o 8.042867 4.324145  1.100000 1.100000   1.100000 1.100000   1.100000 1.100000   8.042867 4.324145   8.042867   4.324145 -0.000000 0.000000 
1 1 1  -46    0   19 o 42.02108 1.984444  20.50000 1.900000   20.50000 1.900000   20.50000 1.900000   42.02108 1.984444   42.02108   1.984444 -0.000000 0.000000 
1 1 1  -46    0   20 o 9.658069 5.313790  1.600000 1.700000   1.600000 1.700000   1.600000 1.700000   9.658069 5.313790   9.658069   5.313790 0.000000 0.000000 
1 1 1  -46    0   21 o 41.87654 1.991437  20.40000 1.900000   20.40000 1.900000   20.40000 1.900000   41.87654 1.991437   41.87654   1.991437 0.000000 0.000000 
1 1 1  -46    0   22 o 7.948031 5.183782  0.000000 2.300000   0.000000 2.300000   0.000000 2.300000   7.948031 5.183782   7.948031   5.183782 -0.000000 0.000000 
1 1 1  -46    0   23 o 21.05722 5.756414  6.400000 2.400000   6.400000 2.400000   6.400000 2.400000   21.05722 5.756414   21.05722   5.756414 0.000000 0.000000 
1 1 1  -46    0   24 o 79.49520 1.925052  73.30000 3.500000   73.30000 3.500000   73.30000 3.500000   79.49520 1.925052   79.49520   1.925052 0.000000 0.000000 
1 1 1  -46    2    2 o 39.74029 1.940337  19.66667 1.000000   21.20000 1.500000   16.60000 3.000000   42.73767 1.532569   36.74291   3.565229 5.994755 3.880673 
1 1 1  -46    2    3 o 60.39935 1.539039  42.17586 1.310345   40.90000 2.000000   44.60000 3.800000   59.45766 1.468797   61.34102   2.705031 -1.883358 3.078077 
1 1 1  -46    2    4 o 44.41201 1.657518  23.16667 1.000000   23.20000 1.500000   23.10000 3.000000   44.79315 1.462242   44.03086   2.975115 0.7622871 3.315036 
1 1 1  -46    2    5 o 12.83647 3.029360  1.866667 0.6969697   2.200000 1.000000   1.100000 2.300000   13.27623 3.302582   12.39671   5.079473 0.8795223 6.058721 
1 1 1  -46    2    6 o 23.05533 3.692904  7.011111 1.333333   7.500000 2.400000   6.400000 3.000000   24.33314 4.471560   21.77752   5.878378 2.555624 7.385809 
1 1 1  -46    2    7 o 55.92811 1.703415  37.27500 1.485000   42.00000 2.700000   31.50000 3.300000   60.13985 1.960384   51.71637   2.786285 8.423477 3.406830 
1 1 1  -46    2    8 o 50.32084 1.698310  29.75636 1.374545   26.60000 2.800000   32.80000 2.700000   47.61126 2.567959   53.03043   2.223199 -5.419174 3.396620 
1 1 1  -46    2    9 o 24.58205 2.616252  7.515385 0.9692307   8.900000 1.800000   5.900000 2.100000   27.49763 2.858360   21.66647   4.382793 5.831163 5.232504 
1 1 1  -46    2   10 o 15.57341 3.350714  3.008108 0.9243243   3.300000 1.800000   2.700000 1.900000   16.21699 4.622031   14.92983   4.852419 1.287153 6.701428 
1 1 1  -46    2   11 o 71.93739 1.674433  60.19743 1.948718   60.30000 4.000000   60.10000 3.800000   71.96875 2.426922   71.90602   2.307587 0.6272888E-01 3.348866 
1 1 1  -46    2   12 o 79.08439 1.523640  72.33846 1.938461   69.80000 3.600000   75.30000 4.200000   77.64285 2.024607   80.52593   2.277473 -2.883087 3.047280 
1 1 1  -46    2   13 o 39.86131 1.898074  18.54898 1.224490   18.50000 2.400000   18.60000 2.500000   39.82243 2.631620   39.90017   2.735930 -0.7773972E-01 3.796148 
1 1 1  -46    2   14 o 46.92215 1.778777  24.97778 1.283333   22.10000 2.100000   29.50000 3.300000   43.66324 2.100115   50.18105   2.871533 -6.517811 3.557553 
1 1 1  -46    2   15 o 58.42690 1.742323  39.48182 1.636364   46.30000 3.600000   33.80000 3.000000   63.00066 2.495153   53.85315   2.432483 9.147511 3.484647 
1 1 1  -46    2   16 o 14.88517 3.759137  2.241176 1.235294   3.600000 2.100000  0.3000000 3.000000   16.84582 5.046565   12.92452   5.572848 3.921300 7.518275 
1 1 1  -46    2   17 o 11.16941 3.425372 0.4642857 0.7071428   1.800000 3.300000  0.1000000 0.9000000   14.97922 6.104817   7.359606   3.108681 7.619617 6.850743 
1 1 1  -46    2   18 o 56.63346 1.416267  36.21600 1.088000   40.50000 3.400000   34.20000 1.600000   58.78160 2.525673   54.48532   1.282272 4.296288 2.832534 
1 1 1  -46    2   19 o 76.01362 1.189796  67.15862 1.434483   64.40000 3.200000   69.40000 2.600000   74.49391 1.875724   77.53333   1.464282 -3.039413 2.379593 
1 1 1  -46    2   20 o 18.28040 2.882576  4.455555 0.8888889   1.900000 2.000000   6.500000 1.600000   13.21329 4.927731   23.34752   2.992396 -10.13423 5.765151 
1 1 1  -46    2   21 f 78.54232 1.638967  71.90741 1.888889   74.30000 5.100000   70.50000 3.000000   79.12370 2.814513   77.96094   1.680289 1.162766 3.277934 
1 1 1  -46    2   22 o 20.30291 3.077605  5.302500 0.9974999   4.200000 2.100000   6.300000 1.900000   17.84396 4.959971   22.76185   3.644901 -4.917887 6.155210 
1 1 1  -46    2   23 o 24.06570 3.036217  7.546667 1.120000   6.000000 2.400000   8.900000 2.100000   21.09977 5.036581   27.03164   3.392241 -5.931864 6.072433 
1 1 1  -46    4    3 o 13.35635 3.590105  1.937778 0.9644444   2.000000 1.400000   1.800000 3.100000   12.62778 4.168278   14.08493   5.846440 -1.457157 7.180209 
1 1 1  -46    4    4 o 18.30882 3.712344  3.895745 0.8936170   2.900000 1.200000   6.800000 3.500000   15.12202 3.529395   21.49561   6.532180 -6.373590 7.424688 
1 1 1  -46    4    5 o 10.64151 3.099525 0.3000000 0.7727273   1.300000 1.000000  -3.100000 3.400000   10.54737 3.524582   10.73564   5.099562 -0.1882648 6.199049 
1 1 1  -46    4    6 o 10.29108 2.770323 0.3307692 0.6358975   1.500000 0.8000000  -4.200000 3.100000   11.03809 3.058932   9.544058   4.619707 1.494036 5.540646 
1 1 1  -46    4    7 o 18.20151 3.772098  3.090769 1.624615   8.900000 3.200000  -2.900000 3.300000   25.71241 5.593477   10.69060   5.062400 15.02180 7.544195 
1 1 1  -46    4    8 o 21.95313 3.783587  6.527778 1.342593   7.500000 2.500000   5.400000 2.900000   24.07258 4.703445   19.83368   5.927876 4.238903 7.567174 
1 1 1  -46    4    9 o 26.49034 3.465132  9.000000 1.450000   10.00000 2.900000   8.000000 2.900000   28.36035 4.465047   24.62033   5.300180 3.740028 6.930264 
1 1 1  -46    4   10 o 18.20883 3.944503  4.158182 1.374545   6.500000 2.800000   1.900000 2.700000   22.14752 5.535666   14.27015   5.620750 7.877371 7.889007 
1 1 1  -46    4   11 o 41.80666 2.217126  20.70667 1.493333   20.10000 2.800000   21.40000 3.200000   41.22935 2.965455   42.38396   3.296766 -1.154613 4.434252 
1 1 1  -46    4   12 o 35.83800 2.807146  16.01774 1.524194   12.80000 3.500000   18.50000 2.700000   32.12268 4.757689   39.55332   2.980716 -7.430641 5.614292 
1 1 1  -46    4   13 o 32.04474 3.524026  14.72903 1.535484   5.900000 3.400000   22.00000 2.800000   20.88886 6.454871   43.20062   2.830139 -22.31176 7.048052 
1 1 1  -46    4   14 f 42.17120 2.132787  21.08103 1.443103   21.50000 2.700000   20.60000 3.100000   42.73414 2.758852   41.60825   3.253284 1.125896 4.265574 
1 1 1  -46    4   15 o 40.59770 2.402105  19.58254 1.565079   15.90000 2.900000   23.90000 3.400000   36.43608 3.475410   44.75933   3.316920 -8.323254 4.804211 
1 1 1  -46    4   16 o 32.88904 2.370489  13.24419 0.7674419   12.40000 3.300000   13.50000 1.000000   31.55842 4.566026   34.21966   1.276039 -2.661243 4.740978 
1 1 1  -46    4   17 o 43.21669 2.210685  21.10175 1.056140   25.10000 4.300000   19.80000 1.400000   45.05707 4.167209   41.37632   1.477461 3.680756 4.421371 
1 1 1  -46    4   18 o 25.86481 3.067818  7.580000 1.050000   11.50000 3.500000   5.900000 1.500000   29.47284 5.383833   22.25679   2.942852 7.216047 6.135637 
1 1 1  -46    4   19 o 48.42231 2.231428  28.11094 1.335938   27.90000 4.500000   28.20000 1.900000   47.53711 4.133514   49.30750   1.682598 -1.770386 4.462855 
1 1 1  -46    4   20 o 65.18198 1.807584  49.72466 1.643836   51.50000 4.800000   48.80000 2.500000   65.51092 3.199391   64.85304   1.683253 0.6578751 3.615168 
1 1 1  -46    4   21 o 10.39590 3.499973 -1.774138 1.277586 -0.9000000 3.900000  -2.200000 1.900000   12.93272 5.907444   7.859072   3.755175 5.073647 6.999945 
1 1 1  -46    4   22 o 22.18423 3.628586  7.477966 1.288136   2.800000 4.000000   9.700000 1.900000   16.00274 6.641685   28.36573   2.924821 -12.36300 7.257173 
1 1 1  -46    6    7 f 21.76937 3.815113  6.400000 0.8800000   6.400000 1.100000   6.400000 4.400000   23.33755 2.058150   20.20119   7.347404 3.136366 7.630225 
1 1 1  -46    6    8 o 16.36659 4.123953  2.825424 0.8305085   2.300000 1.000000   5.400000 4.900000   13.50437 3.268604   19.22881   7.572594 -5.724432 8.247906 
1 1 1  -46    6    9 o 20.95096 3.558541  6.260000 0.8000000   6.800000 1.000000   4.100000 4.000000   24.15804 1.807499   17.74387   6.883734 6.414169 7.117082 
1 1 1  -46    6   10 o 23.38008 2.745567  6.600000 0.8666666   6.100000 1.300000   7.600000 2.600000   22.72625 2.497786   24.03391   4.890156 -1.307663 5.491135 
1 1 1  -46    6   11 o 18.74428 2.215846  4.300000 0.6500000   5.000000 1.300000   3.600000 1.300000   20.51593 2.766890   16.97263   3.461823 3.543295 4.431693 
1 1 1  -46    6   12 o 14.50330 2.347521  2.628000 0.6240000   4.500000 1.200000  0.6000000 1.300000   19.48877 2.688665   9.517826   3.848962 9.970940 4.695043 
1 1 1  -46    6   13 o 18.59195 2.218523  4.200000 0.6461539   4.200000 1.200000   4.200000 1.400000   18.80525 2.786390   18.37865   3.453029 0.4266014 4.437046 
1 1 1  -46    6   14 o 44.19113 1.222604  22.66857 0.8742857   21.60000 1.700000   23.80000 1.800000   43.12257 1.721409   45.25969   1.736603 -2.137115 2.445207 
1 1 1  -46    6   15 o 71.57091 1.338395  59.44516 1.535484   56.60000 2.800000   62.90000 3.400000   69.77289 1.752310   73.36893   2.023515 -3.596046 2.676790 
1 1 1  -46    6   16 o 72.50217 1.256329  60.94915 1.464407   57.70000 2.700000   64.80000 3.200000   70.46663 1.673093   74.53770   1.874622 -4.071068 2.512657 
1 1 1  -46    6   17 o 39.99667 1.796298  18.89565 1.115217   18.40000 1.900000   19.60000 2.700000   39.59232 2.095474   40.40103   2.918173 -0.8087082 3.592596 
1 1 1  -46    6   18 o 28.58842 2.304219  10.06190 1.047619   11.30000 2.000000   8.700000 2.200000   30.65998 2.848379   26.51685   3.622768 4.143131 4.608439 
1 1 1  -45    1    1 o 26.72432 2.929597  9.490910 1.018182   10.80000 1.600000   7.200000 2.800000   30.32384 2.303962   23.12480   5.387198 7.199041 5.859193 
1 1 1  -45    1    2 o 26.22552 2.482557  8.080487 0.9219512   7.500000 1.400000   9.200000 2.700000   25.25515 2.420571   27.19588   4.335112 -1.940731 4.965114 
1 1 1  -45    1    3 o 48.76186 1.568746  27.43404 1.021277   26.70000 1.500000   29.00000 3.200000   48.08627 1.362103   49.43746   2.826400 -1.351192 3.137492 
1 1 1  -45    1    4 o 25.34781 2.981316  8.246511 0.9441860   8.800000 1.400000   7.100000 2.900000   27.47318 2.225148   23.22245   5.531881 4.250723 5.962633 
1 1 1  -45    1    5 o 37.65699 1.762488  17.30000 0.8666666   18.60000 1.300000   14.70000 2.600000   40.15534 1.413643   35.15863   3.229097 4.996708 3.524975 
1 1 1  -45    1    6 o 74.99513 1.199519  63.35357 1.221429   60.30000 1.800000   69.80000 3.800000   72.44108 1.084994   77.54919   2.139666 -5.108109 2.399038 
1 1 1  -45    1    7 o 19.83913 2.749597  4.947059 0.8470588   6.500000 1.600000   3.200000 1.800000   23.57948 2.962958   16.09878   4.632712 7.480701 5.499194 
1 1 1  -45    1    8 o 74.61545 1.446767  63.97714 1.737143   58.40000 3.200000   70.60000 3.800000   71.10621 1.965089   78.12468   2.123905 -7.018471 2.893535 
1 1 1  -45    1    9 o 43.07436 1.379992  21.22895 0.9078947   20.40000 1.500000   22.50000 2.300000   42.08896 1.556190   44.05975   2.279426 -1.970791 2.759984 
1 1 1  -45    1   10 o 55.49369 1.280875  35.42391 1.141304   34.10000 2.100000   37.00000 2.500000   54.38985 1.685936   56.59753   1.928778 -2.207680 2.561750 
1 1 1  -45    1   11 o 45.41243 1.305805  23.75263 0.9263158   23.50000 1.600000   24.10000 2.200000   45.17872 1.546414   45.64614   2.104546 -0.4674149 2.611610 
1 1 1  -45    1   12 o 55.47077 1.293867  35.56522 1.130435   36.00000 2.000000   35.00000 2.600000   55.91766 1.561783   55.02388   2.063298 0.8937836 2.587733 
1 1 1  -45    1   13 o 56.42490 1.393163  36.45490 1.262745   31.90000 2.300000   42.00000 2.800000   52.56542 1.910590   60.28437   2.028117 -7.718952 2.786326 
1 1 1  -45    1   14 o 42.48793 1.644349  20.80000 1.600000   20.80000 1.600000          ?        ?   42.48793 1.644349          ?          ?       ?       ? 
1 1 1  -45    1   15 o 60.12473 1.452502  41.60000 2.000000   41.60000 2.000000          ?        ?   60.12473 1.452502          ?          ?       ?       ? 
1 1 1  -45    1   16 o 36.36609 1.198229  15.41852 0.6296296   14.60000 1.700000   15.90000 1.000000   35.52813 2.089375   37.20406   1.173679 -1.675930 2.396458 
1 1 1  -45    1   17 o 79.29118 1.031858  72.31509 1.324528   74.20000 2.700000   70.50000 2.600000   80.30276 1.468159   78.27959   1.450322 2.023170 2.063716 
1 1 1  -45    1   18 o 53.66956 1.092835  33.12105 0.9473684   34.70000 2.000000   31.70000 1.800000   54.87282 1.591521   52.46630   1.498069 2.406521 2.185669 
1 1 1  -45    1   19 o 24.36410 2.154560  7.000000 0.8500000   6.900000 1.700000   7.100000 1.700000   24.18488 3.069338   24.54332   3.024512 -0.3584442 4.309119 
1 1 1  -45    1   20 o 12.70925 3.056977  1.848387 0.7677419   1.300000 1.700000   2.300000 1.400000   11.78241 4.509510   13.63610   4.128530 -1.853686 6.113954 
1 1 1  -45    1   21 o 51.03575 1.361123  30.23111 1.124444   29.40000 2.200000   31.10000 2.300000   50.32443 1.908901   51.74706   1.940805 -1.422630 2.722247 
1 1 1  -45    1   22 o 24.98422 2.792688  7.740909 1.097727   9.100000 2.300000   6.500000 2.100000   27.34383 3.672892   22.62461   4.207884 4.719221 5.585376 
1 1 1  -45    1   23 o 51.59170 1.677673  31.23036 1.398214   34.70000 2.900000   28.00000 2.700000   54.37978 2.328629   48.80362   2.415747 5.576153 3.355346 
1 1 1  -45    1   24 o 41.57663 1.708474  20.23261 1.141304   24.20000 2.500000   16.90000 2.100000   45.30174 2.409710   37.85152   2.422566 7.450226 3.416948 
1 1 1  -45    1   25 o 43.89342 2.080511  23.08475 1.464407   18.60000 2.700000   28.40000 3.200000   39.21781 3.006216   48.56902   2.876937 -9.351215 4.161021 
1 1 1  -45    3    1 o 39.31297 2.420013  19.29286 1.221429   20.00000 1.800000   17.80000 3.800000   41.34779 1.900903   37.27816   4.451116 4.069637 4.840027 
1 1 1  -45    3    2 o 13.77172 3.744789  1.890000 1.050000   2.100000 1.500000   1.400000 3.500000   13.07482 4.314517   14.46862   6.121987 -1.393805 7.489578 
1 1 1  -45    3    3 o 27.90759 2.489813  8.433333 0.9244444   6.700000 1.300000   12.70000 3.200000   23.88231 2.376877   31.93286   4.375744 -8.050543 4.979627 
1 1 1  -45    3    4 o 34.17643 2.452050  14.28333 0.9479166   14.50000 1.300000   13.70000 3.500000   35.37361 1.604736   32.97926   4.634116 2.394348 4.904101 
1 1 1  -45    3    5 o 62.09377 1.339517  43.38824 1.058823   41.30000 1.500000   48.40000 3.600000   59.91731 1.093147   64.27023   2.445864 -4.352924 2.679034 
1 1 1  -45    3    6 f 35.86486 2.364048  14.96000 1.320000   13.00000 2.200000   17.90000 3.300000   33.18105 2.895158   38.54867   3.738042 -5.367622 4.728097 
1 1 1  -45    3    7 o 19.33452 3.670971  4.898000 1.242000   6.600000 2.300000   2.900000 2.700000   22.83590 4.557620   15.83314   5.756060 7.002760 7.341943 
1 1 1  -45    3    8 o 29.83884 2.590468  10.60000 1.248000   9.400000 2.400000   11.90000 2.600000   28.05853 3.734961   31.61914   3.590566 -3.560614 5.180936 
1 1 1  -45    3    9 o 44.24072 2.026343  22.79138 1.443103   19.30000 2.700000   26.80000 3.100000   40.60545 2.903482   47.87599   2.827376 -7.270542 4.052686 
1 1 1  -45    3   10 o 28.09408 2.665708  9.395833 1.191667   9.900000 2.200000   8.800000 2.600000   29.02669 3.309519   27.16146   4.179842 1.865227 5.331416 
1 1 1  -45    3   11 o 45.42029 1.936668  23.97895 1.421053   22.70000 2.700000   25.40000 3.000000   44.16374 2.669548   46.67684   2.806464 -2.513103 3.873335 
1 1 1  -45    3   12 o 81.43672 1.800595  76.92105 2.368421   73.70000 4.500000   80.50000 5.000000   79.67696 2.466150   83.19648   2.624247 -3.519524 3.601190 
1 1 1  -45    3   13 f 107.1069 1.614861  132.9500 2.800000   136.8000 5.600000   129.1000 5.600000   108.6765 2.250050   105.5373   2.316977 3.139160 3.229723 
1 1 1  -45    3   14 o 89.29306 1.849779  92.67664 2.672897   88.40000 5.200000   97.20000 5.500000   87.18113 2.604477   91.40499   2.627438 -4.223862 3.699558 
1 1 1  -45    3   15 o 44.40388 2.559937  23.36712 1.808219   24.00000 3.300000   22.60000 4.000000   45.22585 3.186155   43.58192   4.007683 1.643932 5.119874 
1 1 1  -45    3   16 o 20.39345 3.125141  4.613158 0.5710526   6.000000 3.100000   4.300000 0.7000000   21.47520 6.046559   19.31170   1.582768 2.163507 6.250283 
1 1 1  -45    3   17 o 40.74067 2.367562  20.72308 0.9230769   17.80000 4.000000   21.60000 1.200000   38.15178 4.578096   43.32956   1.209307 -5.177784 4.735123 
1 1 1  -45    3   18 o 65.68648 1.731560  50.88235 1.451470   49.50000 4.700000   51.50000 2.100000   64.54329 3.179702   66.82967   1.372112 -2.286377 3.463120 
1 1 1  -45    3   19 o 79.42002 1.594438  0.000000 0.000000          ?        ?   72.90000 2.900000          ?        ?   79.42002   1.594438       ?       ? 
1 1 1  -45    3   20 o 49.26358 1.977063  28.76000 1.365000   28.50000 3.900000   28.90000 2.100000   48.64426 3.500844   49.88290   1.838261 -1.238647 3.954126 
1 1 1  -45    3   21 o 63.52301 1.878736  48.58000 1.470000   45.50000 4.900000   49.90000 2.100000   61.32832 3.488789   65.71770   1.395329 -4.389378 3.757472 
1 1 1  -45    3   22 o 29.13052 3.088320  10.18000 1.210909   12.40000 3.700000   9.100000 1.800000   30.57610 5.485512   27.68494   2.839021 2.891153 6.176640 
1 1 1  -45    3   23 o 36.69343 2.729801  16.56875 1.560938   16.40000 2.700000   16.80000 3.700000   36.88463 3.196377   36.50223   4.426108 0.3824043 5.459603 
1 1 1  -45    3   24 o 15.91655 3.684025  2.643396 1.320755   6.500000 2.800000 -0.8000000 2.500000   21.41187 5.633917   10.42123   4.748384 10.99064 7.368050 
1 1 1  -45    5    3 o 17.35740 3.236666  3.996154 1.067308   5.900000 1.500000 -0.7000000 3.700000   22.11147 2.962193   12.60333   5.755817 9.508139 6.473331 
1 1 1  -45    5    4 o 21.45565 3.675316  6.184616 1.023077   6.400000 1.400000   5.600000 3.800000   23.22034 2.632687   19.69095   6.862999 3.529387 7.350632 
1 1 1  -45    5    5 o 42.05654 2.382934  22.28182 1.043636   23.30000 1.400000   19.30000 4.100000   44.91588 1.361030   39.19719   4.567395 5.718689 4.765869 
1 1 1  -45    5    6 f 26.21267 3.543237  11.07059 0.9176471   13.00000 1.200000   4.800000 3.900000   33.50704 1.563813   18.91829   6.911773 14.58875 7.086474 
1 1 1  -45    5    7 o 17.68799 3.612687  3.389131 0.7239130   2.900000 0.9000000   5.400000 3.700000   15.68722 2.505165   19.68876   6.777181 -4.001549 7.225374 
1 1 1  -45    5    8 o 21.45319 3.261450  5.410000 0.5100000   5.200000 0.6000000   6.600000 3.400000   21.23662 1.233689   21.66976   6.405173 -0.4331341 6.522901 
1 1 1  -45    5    9 o 20.24393 4.855979  5.582895 1.888158   4.800000 3.500000   6.500000 4.100000   19.00632 6.588658   21.48154   7.135244 -2.475220 9.711958 
1 1 1  -45    5   10 o 45.61790 2.436424  24.88056 1.798611   24.20000 3.500000   25.60000 3.700000   45.00455 3.395872   46.23125   3.494667 -1.226696 4.872848 
1 1 1  -45    5   11 o 20.26495 4.387521  5.498413 1.574603   5.400000 3.100000   5.600000 3.200000   20.10408 6.155450   20.42582   6.253941 -0.3217468 8.775042 
1 1 1  -45    5   12 o 20.63679 4.262328  5.595238 1.571429   3.500000 3.000000   7.900000 3.300000   16.98251 6.081554   24.29106   5.973646 -7.308550 8.524655 
1 1 1  -45    5   13 o 16.89207 4.539215  3.045071 1.766197   1.600000 3.800000   4.300000 3.300000   15.42088 6.442918   18.36326   6.395833 -2.942377 9.078429 
1 1 1  -45    5   14 o 42.86745 1.007524  21.10357 0.6964285   19.20000 1.300000   23.30000 1.500000   40.80234 1.391227   44.93256   1.457705 -4.130226 2.015048 
1 1 1  -45    5   15 o 16.26885 2.462320  3.300000 0.6500000   4.600000 1.300000   2.000000 1.300000   19.73219 2.876788   12.80551   3.997020 6.926674 4.924640 
1 1 1  -45    5   16 o 51.92371 1.247522  31.07857 1.040476   28.50000 1.900000   34.20000 2.300000   49.59302 1.672911   54.25440   1.851111 -4.661377 2.495044 
1 1 1  -45    5   17 o 32.27081 1.780435  12.29730 0.9243243   10.40000 1.800000   14.30000 1.900000   29.65763 2.650182   34.88399   2.378303 -5.226360 3.560869 
1 1 1  -45    5   18 f 34.08627 1.676289  13.64865 0.9243243   13.70000 1.900000   13.60000 1.800000   34.12640 2.431100   34.04614   2.308577 0.8025360E-01 3.352577 
1 1 1  -45    5   19 o 39.24451 1.691405  18.08837 1.074419   18.60000 2.200000   17.60000 2.100000   39.77698 2.415075   38.71204   2.368716 1.064941 3.382810 
1 1 1  -45    5   20 o 17.10066 3.444103  3.842500 0.9974999   4.000000 2.100000   3.700000 1.900000   17.39067 5.003734   16.81066   4.733924 0.5800037 6.888206 
1 1 1  -45    5   21 o 53.13203 1.716907  33.40170 1.474576   36.30000 3.000000   30.60000 2.900000   55.44464 2.362661   50.81943   2.491770 4.625214 3.433815 
1 1 1  -45    7    8 o 14.17696 3.037787  2.025641 0.9743590  -1.000000 2.000000   4.900000 1.900000   9.101923 4.184502   19.25199   4.404833 -10.15006 6.075574 
1 1 1  -45    7    9 o 34.52524 2.008258  14.13333 1.111111   12.00000 2.000000   16.80000 2.500000   31.67245 2.757326   37.37803   2.920541 -5.705574 4.016517 
1 1 1  -45    7   10 o 20.56873 3.076655  5.450000 0.9900000   4.100000 1.800000   7.100000 2.200000   17.65060 4.453199   23.48685   4.246438 -5.836241 6.153309 
1 1 1  -45    7   11 o 30.08503 2.051991  10.76500 0.9900000   10.00000 1.800000   11.70000 2.200000   28.98702 2.711494   31.18304   3.080661 -2.196022 4.103982 
1 1 1  -45    7   12 o 30.90799 2.192482  11.60465 1.060465   12.40000 1.900000   10.60000 2.400000   32.35363 2.564309   29.46236   3.556996 2.891264 4.384963 
1 1 1  -45    7   13 o 17.68319 3.313693  4.128205 0.9743590   5.000000 2.000000   3.300000 1.900000   19.52006 4.556806   15.84632   4.812252 3.673745 6.627386 
1 1 1  -45    7   14 o 24.60109 2.444991  7.338461 0.9692307   6.600000 1.800000   8.200000 2.100000   23.30346 3.372810   25.89872   3.540632 -2.595257 4.889981 
1 1 1  -45    7   15 o 55.22157 1.452867  35.60000 1.292308   33.20000 2.400000   38.40000 2.800000   53.26705 1.967399   57.17609   2.138372 -3.909039 2.905735 
1 1 1  -45    7   16 o 22.98042 2.869783  6.659524 1.040476   5.800000 1.900000   7.700000 2.300000   21.21844 4.057909   24.74239   4.059063 -3.523949 5.739566 
1 1 1  -45    7   17 o 31.20145 2.255960  11.90000 1.111111   12.30000 2.000000   11.40000 2.500000   32.04451 2.725311   30.35840   3.595844 1.686108 4.511919 
1 1 1  -44    0    1 o 8.682796 5.003576  1.200000 1.600000   1.200000 1.600000   1.200000 1.600000   8.682796 5.003576   8.682796   5.003576 0.000000 0.000000 
1 1 1  -44    0    2 o 31.39541 2.396518  11.60000 1.700000   11.60000 1.700000   11.60000 1.700000   31.39541 2.396518   31.39541   2.396518 -0.000000 0.000000 
1 1 1  -44    0    3 o 10.36893 5.180501  1.900000 1.500000   1.900000 1.500000   1.900000 1.500000   10.36893 5.180501   10.36893   5.180501 0.000000 0.000000 
1 1 1  -44    0    4 o 4.748577 3.413238 -3.000000 1.800000  -3.000000 1.800000  -3.000000 1.800000   4.748577 3.413238   4.748577   3.413238 -0.000000 0.000000 
1 1 1  -44    0    5 o 6.446162 4.083277 0.2000000 1.300000  0.2000000 1.300000  0.2000000 1.300000   6.446162 4.083277   6.446162   4.083277 -0.000000 0.000000 
1 1 1  -44    0    6 o 13.73353 3.679364  2.600000 1.000000   2.600000 1.000000   2.600000 1.000000   13.73353 3.679364   13.73353   3.679364 0.000000 0.000000 
1 1 1  -44    0    7 o 63.08544 1.663816  45.80000 2.400000   45.80000 2.400000   45.80000 2.400000   63.08544 1.663816   63.08544   1.663816 -0.000000 0.000000 
1 1 1  -44    0    8 o 93.25785 1.780718  100.0000 3.800000   100.0000 3.800000   100.0000 3.800000   93.25785 1.780718   93.25785   1.780718 -0.000000 0.000000 
1 1 1  -44    0    9 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -44    0   10 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -44    0   11 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -44    0   12 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -44    0   13 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -44    0   14 o 77.11420 1.076340  68.20000 1.900000   68.20000 1.900000   68.20000 1.900000   77.11420 1.076340   77.11420   1.076340 -0.000000 0.000000 
1 1 1  -44    0   15 o 59.03053 1.184617  40.00000 1.600000   40.00000 1.600000   40.00000 1.600000   59.03053 1.184617   59.03053   1.184617 -0.000000 0.000000 
1 1 1  -44    0   16 o 66.24939 1.319400  50.40000 2.000000   50.40000 2.000000   50.40000 2.000000   66.24939 1.319400   66.24939   1.319400 0.000000 0.000000 
1 1 1  -44    0   17 o 11.21420 4.882007  2.100000 1.300000   2.100000 1.300000   2.100000 1.300000   11.21420 4.882007   11.21420   4.882007 0.000000 0.000000 
1 1 1  -44    0   18 o 33.57721 1.966111  13.10000 1.500000   13.10000 1.500000   13.10000 1.500000   33.57721 1.966111   33.57721   1.966111 0.000000 0.000000 
1 1 1  -44    0   19 o 157.8378 2.075675  286.8000 7.500000   286.8000 7.500000   286.8000 7.500000   157.8378 2.075675   157.8378   2.075675 -0.000000 0.000000 
1 1 1  -44    0   20 o 84.46143 1.707639  82.10000 3.300000   82.10000 3.300000   82.10000 3.300000   84.46143 1.707639   84.46143   1.707639 -0.000000 0.000000 
1 1 1  -44    0   21 o 40.42550 2.064576  19.00000 1.900000   19.00000 1.900000   19.00000 1.900000   40.42550 2.064576   40.42550   2.064576 0.000000 0.000000 
1 1 1  -44    0   22 o 52.04736 2.530517  31.60000 3.000000   31.60000 3.000000   31.60000 3.000000   52.04736 2.530517   52.04736   2.530517 -0.000000 0.000000 
1 1 1  -44    0   23 o 68.57851 2.169782  54.60000 3.400000   54.60000 3.400000   54.60000 3.400000   68.57851 2.169782   68.57851   2.169782 0.000000 0.000000 
1 1 1  -44    0   24 o 47.24859 2.417277  26.10000 2.600000   26.10000 2.600000   26.10000 2.600000   47.24859 2.417277   47.24859   2.417277 0.000000 0.000000 
1 1 1  -44    0   25 o 11.04543 6.143162  2.200000 2.300000   2.200000 2.300000   2.200000 2.300000   11.04543 6.143162   11.04543   6.143162 0.000000 0.000000 
1 1 1  -44    2    1 o 6.778193 3.234467 -1.700000 1.400000  -1.700000 1.400000          ?        ?   6.778193 3.234467          ?          ?       ?       ? 
1 1 1  -44    2    2 o 59.86576 1.807506  42.20000 1.384615   42.20000 2.000000   42.20000 4.500000   60.43187 1.445119   59.29965   3.313600 1.132214 3.615012 
1 1 1  -44    2    3 o 15.17033 2.809184  2.887500 0.7500000   3.900000 1.200000   1.200000 2.000000   18.17834 2.882482   12.16232   4.822588 6.016024 5.618369 
1 1 1  -44    2    4 o 17.20805 3.126196  3.823077 0.7897436   4.500000 1.100000   2.100000 2.800000   19.62511 2.447486   14.79099   5.753453 4.834126 6.252393 
1 1 1  -44    2    5 o 27.47751 2.585183  9.234210 0.6868421   9.400000 0.9000000   8.700000 2.900000   28.58229 1.374945   26.37273   4.984197 2.209557 5.170366 
1 1 1  -44    2    6 o 53.58980 1.696341  32.94576 1.454237   29.20000 2.600000   37.70000 3.300000   50.20967 2.261131   56.96993   2.529345 -6.760254 3.392683 
1 1 1  -44    2    7 o 60.90850 1.724535  43.04559 1.698529   39.60000 3.300000   46.70000 3.500000   58.38865 2.467887   63.42836   2.409485 -5.039703 3.449070 
1 1 1  -44    2    8 o 95.11866 1.802770  105.0550 2.769369   104.1000 5.300000   106.1000 5.800000   94.72141 2.443247   95.51591   2.651502 -0.7944946 3.605540 
1 1 1  -44    2    9 o 80.54056 1.426191  75.14999 1.850000   66.20000 3.700000   84.10000 3.700000   75.68826 2.134583   85.39287   1.891994 -9.704613 2.852382 
1 1 1  -44    2   10 o 48.49954 1.663883  27.32115 1.298077   25.40000 2.700000   29.10000 2.500000   46.81434 2.518399   50.18473   2.175245 -3.370392 3.327765 
1 1 1  -44    2   11 o 48.17017 1.669265  26.80769 1.292308   26.30000 2.400000   27.40000 2.800000   47.71012 2.196547   48.63021   2.514152 -0.9200859 3.338530 
1 1 1  -44    2   12 o 11.71955 3.282141 0.4675000 0.9974999   2.200000 2.100000  -1.100000 1.900000   14.34991 5.093556   9.089192   4.140710 5.260717 6.564281 
1 1 1  -44    2   13 o 35.07924 2.175406  14.39796 1.224490   11.90000 2.400000   17.00000 2.500000   31.91751 3.283386   38.24097   2.854637 -6.323460 4.350813 
1 1 1  -44    2   14 o 74.93361 1.610951  64.95641 1.948718   57.60000 3.800000   72.70000 4.000000   70.55298 2.351841   79.31423   2.202158 -8.761253 3.221903 
1 1 1  -44    2   15 f 17.49887 3.962576  3.661538 1.292308   4.400000 2.400000   2.800000 2.800000   18.80321 5.329405   16.19454   5.865618 2.608665 7.925152 
1 1 1  -44    2   16 o 63.15950 1.274303  46.04167 0.9916667   45.90000 3.400000   46.10000 1.400000   62.93261 2.359081   63.38639  0.9644323 -0.4537735 2.548606 
1 1 1  -44    2   17 o 33.68972 2.191381  13.02727 0.8727273   13.90000 3.200000   12.70000 1.200000   34.17359 4.088830   33.20585   1.577998 0.9677429 4.382763 
1 1 1  -44    2   18 o 63.58980 1.671226  47.62188 1.410937   44.80000 4.300000   49.00000 2.100000   61.90920 3.032864   65.27039   1.404891 -3.361191 3.342452 
1 1 1  -44    2   19 o 56.30123 1.313016  36.13750 1.181250   42.10000 2.700000   31.50000 2.100000   60.35152 1.953508   52.25095   1.754950 8.100574 2.626032 
1 1 1  -44    2   20 o 22.06914 3.071537  6.674418 1.060465   2.600000 2.400000   9.900000 1.900000   15.12379 5.437008   29.01449   2.859422 -13.89070 6.143074 
1 1 1  -44    2   21 o 32.31330 1.978343  12.38780 1.024390   13.90000 2.000000   10.80000 2.100000   34.43041 2.536457   30.19619   3.036735 4.234221 3.956687 
1 1 1  -44    2   22 o 17.40809 3.681101  3.960000 1.124444   4.400000 2.200000   3.500000 2.300000   18.31627 5.071512   16.49992   5.336833 1.816355 7.362202 
1 1 1  -44    2   23 o 64.49490 1.484154  48.60000 1.550000   49.10000 3.100000   48.10000 3.100000   64.83342 2.087865   64.15638   2.109898 0.6770401 2.968308 
1 1 1  -44    2   24 o 32.70907 2.366481  12.91600 1.248000   12.50000 2.600000   13.30000 2.400000   32.10631 3.536085   33.31183   3.145955 -1.205521 4.732962 
1 1 1  -44    2   25 o 73.89499 1.504229  64.20000 1.800000   64.40000 3.600000   64.00000 3.600000   74.01317 2.123896   73.77680   2.130700 0.2363663 3.008458 
1 1 1  -44    4    1 o 10.86310 3.551239 -0.4444444 1.083333 -0.5000000 1.500000 -0.3000000 3.900000   8.343389 3.751770   13.38281   6.030707 -5.039421 7.102479 
1 1 1  -44    4    2 o 41.05234 2.203673  19.53091 1.134545   18.60000 1.600000   21.80000 3.900000   40.02452 1.745555   42.08015   4.046942 -2.055630 4.407347 
1 1 1  -44    4    3 o 28.33669 2.735029  8.520000 0.9620000   6.700000 1.300000   13.70000 3.700000   23.87864 2.377243   32.79475   4.926485 -8.916113 5.470058 
1 1 1  -44    4    4 o 38.40328 2.149070  17.40000 1.000000   17.20000 1.400000   17.90000 3.500000   38.55054 1.585759   38.25602   3.994919 0.2945213 4.298140 
1 1 1  -44    4    5 o 34.56995 1.515731  13.80000 1.200000   13.80000 1.200000          ?        ?   34.56995 1.515731          ?          ?       ?       ? 
1 1 1  -44    4    6 o 30.90443 1.989810  9.705263 0.6315790   8.400000 0.8000000   14.60000 3.000000   27.00128 1.293735   34.80758   3.763458 -7.806297 3.979619 
1 1 1  -44    4    7 o 33.17363 3.073660  13.35000 1.650000   12.80000 3.300000   13.90000 3.300000   32.44968 4.440616   33.89758   4.250939 -1.447899 6.147321 
1 1 1  -44    4    8 o 62.19048 1.738133  44.92000 1.744286   43.60000 3.300000   46.40000 3.700000   61.26373 2.352070   63.11723   2.559726 -1.853508 3.476267 
1 1 1  -44    4    9 o 28.72783 2.961435  9.767273 1.352727   9.200000 2.400000   10.50000 3.100000   27.88904 3.757659   29.56663   4.578251 -1.677586 5.922869 
1 1 1  -44    4   10 o 25.57823 3.439151  8.016363 1.352727   9.200000 3.100000   7.100000 2.400000   27.15345 5.174041   24.00301   4.532144 3.150440 6.878302 
1 1 1  -44    4   11 o 34.92972 2.385963  14.25185 1.342593   12.40000 2.500000   16.40000 2.900000   32.49609 3.359299   37.36335   3.389159 -4.867264 4.771927 
1 1 1  -44    4   12 o 14.95630 4.353731  1.300000 1.700000   1.400000 3.400000   1.200000 3.400000   15.06966 6.175386   14.84294   6.138771 0.2267208 8.707462 
1 1 1  -44    4   13 o 58.53584 2.274370  39.83721 2.108140   37.60000 3.700000   42.80000 4.900000   56.78622 2.845106   60.28546   3.549141 -3.499237 4.548739 
1 1 1  -44    4   14 o 40.80375 2.347960  19.55000 1.550000   18.60000 3.100000   20.50000 3.100000   39.78712 3.402193   41.82038   3.236782 -2.033257 4.695920 
1 1 1  -44    4   15 o 42.08833 1.981900  20.67500 0.9000000   20.60000 3.600000   20.70000 1.200000   41.73388 3.766634   42.44278   1.234574 -0.7089005 3.963799 
1 1 1  -44    4   16 o 16.58799 3.505210  3.088095 0.8119048   3.900000 3.100000   2.800000 1.100000   18.02050 6.203364   15.15548   3.265618 2.865014 7.010420 
1 1 1  -44    4   17 o 29.81571 3.082929  11.41633 0.9551020   9.800000 3.600000   12.00000 1.300000   27.41106 5.908801   32.22036   1.761784 -4.809299 6.165858 
1 1 1  -44    4   18 o 17.43455 3.110215  3.934043 0.9829787 -0.7000000 3.300000   5.900000 1.400000   12.47149 5.589647   22.39760   2.729394 -9.926108 6.220430 
1 1 1  -44    4   19 o 68.21671 1.202670  53.96038 1.324528   57.10000 2.600000   50.70000 2.700000   70.27869 1.615435   66.15473   1.782143 4.123955 2.405341 
1 1 1  -44    4   20 o 66.26743 1.327480  50.91053 1.421053   48.40000 2.700000   53.70000 3.000000   64.57197 1.825826   67.96289   1.927477 -3.390923 2.654959 
1 1 1  -44    4   21 o 59.64011 1.425081  41.47273 1.370909   42.00000 2.900000   41.00000 2.600000   59.94489 2.112446   59.33532   1.913373 0.6095734 2.850162 
1 1 1  -44    4   22 o 41.84512 1.881663  20.69608 1.274510   20.50000 2.500000   20.90000 2.600000   41.66298 2.620169   42.02726   2.701357 -0.3642769 3.763325 
1 1 1  -44    4   23 o 10.39552 3.355475 -0.9700000 1.242000 -0.7000000 2.700000  -1.200000 2.300000   11.05657 4.996845   9.734482   4.479776 1.322084 6.710950 
1 1 1  -44    4   24 o 18.55184 4.057137  4.822222 1.333333   6.100000 3.000000   3.800000 2.400000   20.48243 6.005974   16.62125   5.456165 3.861179 8.114275 
1 1 1  -44    6    3 o 27.47388 3.521396  8.462500 1.293750   5.200000 1.800000   16.80000 4.600000   20.03657 4.061779   34.91119   5.753510 -14.87462 7.042792 
1 1 1  -44    6    4 o 32.76886 2.781098  12.50175 1.192982   11.10000 1.700000   15.80000 4.000000   30.65772 2.421301   34.88000   5.007526 -4.222281 5.562196 
1 1 1  -44    6    5 o 22.02554 4.207837  5.037500 1.148438   2.600000 1.500000   13.00000 4.900000   14.30676 4.260420   29.74433   7.257574 -15.43757 8.415673 
1 1 1  -44    6    6 o 49.63888 2.264726  30.23809 1.193651   31.00000 1.600000   28.00000 4.700000   51.81639 1.348319   47.46138   4.324115 4.355011 4.529452 
1 1 1  -44    6    7 o 25.02355 3.341611  8.765218 0.8869566   9.600000 1.200000   6.400000 3.400000   28.73450 1.823549   21.31260   6.429629 7.421898 6.683223 
1 1 1  -44    6    8 o 42.73622 1.340935  21.27568 0.9243243   18.60000 1.800000   24.10000 1.900000   39.94559 1.967629   45.52685   1.822325 -5.581253 2.681871 
1 1 1  -44    6    9 o 27.19967 1.930691  8.735294 0.8470588   8.500000 1.600000   9.000000 1.800000   26.85049 2.602001   27.54885   2.853046 -0.6983547 3.861383 
1 1 1  -44    6   10 o 22.87251 2.047083  6.233333 0.7466667   6.700000 1.400000   5.700000 1.600000   23.87723 2.560258   21.86778   3.194883 2.009449 4.094167 
1 1 1  -44    6   11 o 9.889778 2.854810 0.5551724 0.7241379  0.7000000 1.400000  0.4000000 1.500000   10.02767 4.015591   9.751882   4.058915 0.2757931 5.709620 
1 1 1  -44    6   12 o 39.20653 1.416869  17.81667 0.8972222   16.40000 1.700000   19.40000 1.900000   37.56898 1.975874   40.84408   2.031254 -3.275101 2.833738 
1 1 1  -44    6   13 o 28.81861 3.364152  11.28868 1.154717   8.300000 3.600000   12.70000 1.700000   24.65062 6.340818   32.98659   2.250356 -8.335972 6.728304 
1 1 1  -44    6   14 o 38.38528 1.546474  17.28421 0.9394737   18.00000 1.700000   16.40000 2.100000   39.37045 1.885464   37.40011   2.451806 1.970341 3.092948 
1 1 1  -44    6   15 o 43.74287 1.520415  22.33256 1.069767   22.10000 2.000000   22.60000 2.300000   43.55423 2.005116   43.93151   2.286080 -0.3772850 3.040830 
1 1 1  -44    6   16 o 31.58470 2.108534  11.84186 1.060465   11.40000 1.900000   12.40000 2.400000   31.04368 2.672515   32.12573   3.262105 -1.082050 4.217069 
1 1 1  -44    6   17 o 21.38793 3.176754  6.006977 1.060465   7.200000 1.900000   4.500000 2.400000   24.43119 3.395851   18.34467   5.369847 6.086523 6.353508 
1 1 1  -44    6   18 o 35.38716 1.844347  14.84762 1.047619   13.80000 2.200000   15.80000 2.000000   34.10139 2.817022   36.67292   2.381355 -2.571526 3.688694 
1 1 1  -44    6   19 o 10.39523 3.248343 -0.2488372 1.074419 -0.2000000 2.100000 -0.3000000 2.200000   10.33602 4.555265   10.45444   4.632114 -0.1184282 6.496686 
1 1 1  -44    6   20 o 15.34520 3.717074  2.984444 1.124444   2.300000 2.200000   3.700000 2.300000   14.03092 5.180945   16.65947   5.331450 -2.628549 7.434147 
1 1 1  -44    6   21 o 33.24349 3.623137  15.52059 1.627941   18.30000 2.700000   11.30000 4.100000   38.90365 3.030492   27.58333   6.582143 11.32032 7.246274 
1 1 1  -44    8   10 f 12.94995 3.651157  1.591489 1.170213   2.200000 2.200000  0.9000000 2.500000   13.68510 5.155522   12.21480   5.171498 1.470295 7.302315 
1 1 1  -44    8   11 o 23.31442 3.199744  7.285106 1.174468   4.300000 2.300000   10.40000 2.400000   17.63211 5.281253   28.99673   3.614114 -11.36462 6.399489 
1 1 1  -44    8   12 o 9.874196 3.169698 -0.7136364 1.097727  -1.000000 2.100000 -0.4000000 2.300000   9.351634 4.295063   10.39676   4.662658 -1.045124 6.339396 
1 1 1  -44    8   13 o 35.87368 2.187009  15.80204 1.183674   16.70000 2.000000   14.50000 2.900000   37.57200 2.324370   34.17536   3.705311 3.396645 4.374017 
1 1 1  -44    8   14 o 29.29864 2.367031  10.38889 1.111111   8.700000 2.000000   12.50000 2.500000   26.69365 3.271612   31.90364   3.421681 -5.209990 4.734063 
1 1 1  -43    1    1 o 64.38500 1.503536  47.15082 1.377049   44.50000 2.100000   52.20000 4.000000   62.09045 1.476842   66.67955   2.619431 -4.589096 3.007072 
1 1 1  -43    1    2 o 24.75707 2.881022  7.646341 0.8878049   7.900000 1.300000   7.100000 2.800000   26.06763 2.177617   23.44651   5.334711 2.621120 5.762044 
1 1 1  -43    1    3 o 56.12644 1.504365  36.58846 1.176923   36.90000 1.800000   36.00000 3.400000   56.64071 1.387661   55.61217   2.669616 1.028542 3.008729 
1 1 1  -43    1    4 o 44.90340 1.534364  22.00455 0.9545454   19.30000 1.400000   27.80000 3.000000   40.94710 1.492948   48.85971   2.681082 -7.912609 3.068728 
1 1 1  -43    1    5 o 70.96683 1.414508  58.54590 1.344262   59.30000 2.000000   57.00000 4.100000   71.85326 1.215411   70.08040   2.554624 1.772865 2.829015 
1 1 1  -43    1    6 o 53.08981 1.265694  31.67073 0.8487805   30.50000 1.200000   34.50000 2.900000   51.56080 1.016252   54.61882   2.318438 -3.058018 2.531387 
1 1 1  -43    1    7 o 72.55045 1.362529  60.54063 1.593750   58.90000 3.000000   62.40000 3.400000   71.52466 1.831493   73.57623   2.017814 -2.051575 2.725058 
1 1 1  -43    1    8 o 22.15607 2.159747  5.690322 0.7741935   5.400000 1.500000   6.000000 1.600000   21.57437 3.035938   22.73778   3.072640 -1.163414 4.319495 
1 1 1  -43    1    9 f 62.68763 1.382243  43.77500 1.312500   38.60000 2.100000   52.40000 3.500000   57.96208 1.582031   67.41319   2.267059 -9.451103 2.764486 
1 1 1  -43    1   10 o 42.19363 1.241652  20.25000 0.8382353   18.00000 1.500000   23.10000 1.900000   39.57529 1.655034   44.81196   1.851396 -5.236671 2.483305 
1 1 1  -43    1   11 o 44.66586 1.416098  22.84878 1.019512   20.30000 1.900000   25.80000 2.200000   41.99506 1.975582   47.33665   2.029387 -5.341595 2.832196 
1 1 1  -43    1   12 o 57.02058 1.300203  37.38333 1.197917   37.00000 2.300000   37.80000 2.500000   56.72503 1.770487   57.31613   1.904596 -0.5910950 2.600406 
1 1 1  -43    1   13 o 49.64375 1.552330  28.10400 1.232000   25.20000 2.200000   31.80000 2.800000   46.77983 2.053543   52.50768   2.328493 -5.727840 3.104661 
1 1 1  -43    1   14 o 80.78851 1.621479  75.00000 3.000000   75.00000 3.000000          ?        ?   80.78851 1.621479          ?          ?       ?       ? 
1 1 1  -43    1   15 o 75.68427 1.023489  65.52400 1.232000   68.10000 2.800000   63.50000 2.200000   76.98531 1.588144   74.38324   1.291479 2.602066 2.046978 
1 1 1  -43    1   16 o 47.80669 1.004581  26.21613 0.7677419   26.60000 1.700000   25.90000 1.400000   48.11259 1.542872   47.50079   1.286965 0.6118011 2.009162 
1 1 1  -43    1   17 o 75.10641 1.068861  64.85001 1.300000   64.80000 2.600000   64.90000 2.600000   75.07734 1.512182   75.13548   1.511012 -0.5814362E-01 2.137722 
1 1 1  -43    1   18 o 58.74370 1.147594  40.03489 1.060465   37.30000 2.400000   42.20000 1.900000   56.88905 1.842139   60.59835   1.369092 -3.709297 2.295188 
1 1 1  -43    1   19 o 38.95183 1.342577  17.11176 0.8235294   20.70000 2.000000   14.60000 1.400000   42.31450 2.063861   35.58916   1.717711 6.725334 2.685154 
1 1 1  -43    1   20 o 32.96894 1.925179  12.66341 1.024390   11.20000 2.000000   14.20000 2.100000   30.99578 2.817521   34.94211   2.624278 -3.946335 3.850358 
1 1 1  -43    1   21 o 22.84558 3.541800  6.476470 1.235294   7.300000 3.000000   5.900000 2.100000   23.86708 5.587258   21.82408   4.354300 2.042994 7.083600 
1 1 1  -43    1   22 o 42.37155 1.713071  21.00213 1.174468   20.90000 2.400000   21.10000 2.300000   42.24912 2.480466   42.49397   2.363416 -0.2448502 3.426142 
1 1 1  -43    1   23 o 18.86713 3.361523  4.540000 1.124444   1.900000 2.200000   7.300000 2.300000   13.61439 5.149216   24.11986   4.322605 -10.50546 6.723045 
1 1 1  -43    1   24 o 90.51724 1.485418  95.77471 2.174713   102.4000 4.400000   89.30000 4.300000   93.65571 2.051437   87.37878   2.148831 6.276924 2.970836 
1 1 1  -43    1   25 o 77.23900 1.460450  69.68493 1.824658   74.50000 3.700000   65.00000 3.600000   79.90333 2.021979   74.57467   2.107904 5.328659 2.920900 
1 1 1  -43    1   26 o 25.89769 3.251430  8.766038 1.324528   7.900000 2.700000   9.600000 2.600000   24.19452 5.036660   27.60087   4.113299 -3.406351 6.502859 
1 1 1  -43    3    1 o 12.45234 3.688513 0.3714285 1.000000  -1.000000 1.400000   3.800000 3.500000   7.480195 3.461043   17.42449   6.514729 -9.944293 7.377026 
1 1 1  -43    3    2 o 31.59426 2.266275  11.50000 1.000000   10.70000 1.500000   13.10000 3.000000   30.30984 2.160963   32.87867   3.984251 -2.568834 4.532551 
1 1 1  -43    3    3 o 11.89699 3.475556 0.8142857 0.8571429  0.3000000 1.200000   2.100000 3.000000   8.761779 3.637233   15.03220   5.923555 -6.270421 6.951112 
1 1 1  -43    3    4 o 65.38147 1.488137  48.38475 1.210170   46.80000 1.700000   52.30000 4.200000   63.82006 1.163139   66.94288   2.739583 -3.122818 2.976274 
1 1 1  -43    3    5 o 33.96510 1.696048  13.01429 0.7142857   12.50000 1.000000   14.30000 2.500000   32.97467 1.324217   34.95552   3.122942 -1.980850 3.392097 
1 1 1  -43    3    6 o 59.76329 1.908126  40.87568 1.801351   36.10000 3.100000   47.50000 4.300000   55.76468 2.427405   63.76190   2.944740 -7.997223 3.816253 
1 1 1  -43    3    7 o 40.95086 2.150642  19.42105 1.414035   16.00000 2.600000   23.50000 3.100000   37.02108 3.066648   44.88063   3.016077 -7.859558 4.301285 
1 1 1  -43    3    8 o 28.80787 2.860298  9.773585 1.301887   9.600000 2.300000   10.00000 3.000000   28.62151 3.508932   28.99423   4.518033 -0.3727226 5.720596 
1 1 1  -43    3    9 o 90.75827 1.752364  95.36699 2.574757   92.00000 5.100000   98.80000 5.200000   89.13226 2.498475   92.38427   2.457791 -3.252007 3.504727 
1 1 1  -43    3   10 o 38.67971 2.121425  17.41321 1.324528   15.50000 2.600000   19.40000 2.700000   36.48957 3.111317   40.86985   2.884698 -4.380276 4.242850 
1 1 1  -43    3   11 o 18.73457 3.943874  4.290385 1.282692   4.600000 2.300000   3.900000 2.900000   19.28625 5.121331   18.18290   5.999043 1.103350 7.887747 
1 1 1  -43    3   12 o 19.36607 3.739898  4.435714 1.392857   7.500000 2.600000  0.9000000 3.000000   24.76070 4.757996   13.97144   5.771379 10.78927 7.479795 
1 1 1  -43    3   13 o 79.65753 1.802365  73.43979 2.324731   72.50000 4.600000   74.40000 4.700000   79.14607 2.537863   80.16899   2.559948 -1.022919 3.604731 
1 1 1  -43    3   14 o 41.82702 2.423652  20.52000 1.606154   19.80000 3.600000   21.10000 2.900000   41.05724 3.828709   42.59679   2.972767 -1.539547 4.847304 
1 1 1  -43    3   15 o 42.53359 1.458335  21.62857 0.6685714   19.40000 2.600000   22.40000 0.9000000   40.87032 2.777826   44.19687  0.8891821 -3.326550 2.916670 
1 1 1  -43    3   16 o 60.75413 1.477774  41.94363 1.174546   44.50000 3.800000   40.80000 1.700000   61.90668 2.680315   59.60157   1.245463 2.305119 2.955548 
1 1 1  -43    3   17 o 78.10921 1.378153  70.25000 1.605882   71.30000 4.200000   69.60000 2.600000   78.43788 2.338100   77.78055   1.459628 0.6573334 2.756306 
1 1 1  -43    3   18 o 91.75322 1.781052  99.03333 2.200000   94.30000 6.600000   101.4000 3.300000   89.66375 3.214154   93.84270   1.535512 -4.178947 3.562104 
1 1 1  -43    3   19 o 31.64302 3.033562  12.57547 1.116981   10.90000 3.700000   13.30000 1.600000   29.36908 5.706739   33.91696   2.059884 -4.547878 6.067124 
1 1 1  -43    3   20 o 39.14088 2.270808  18.79231 1.144231   16.10000 3.500000   20.10000 1.700000   36.57709 4.178290   41.70468   1.779934 -5.127590 4.541615 
1 1 1  -43    3   21 f 36.96108 2.817244  16.69344 1.268852   16.20000 4.300000   16.90000 1.800000   35.80820 5.243553   38.11395   2.062188 -2.305748 5.634489 
1 1 1  -43    3   22 o 15.58997 3.422061  1.701754 1.350877  -4.500000 3.500000   5.600000 2.200000   10.29328 4.964254   20.88666   4.711494 -10.59339 6.844121 
1 1 1  -43    3   23 o 27.20274 3.180130  9.545283 1.324528   11.90000 2.600000   7.100000 2.700000   31.29499 3.627757   23.11048   5.224203 8.184509 6.360261 
1 1 1  -43    3   24 o 35.68969 2.385586  15.54815 1.342593   13.40000 2.900000   17.40000 2.500000   33.10962 3.824579   38.26977   2.852488 -5.160156 4.771173 
1 1 1  -43    3   25 o 31.59357 2.723646  12.48364 1.374545   14.30000 2.700000   10.60000 2.800000   34.19783 3.447505   28.98930   4.217547 5.208530 5.447292 
1 1 1  -43    5    1 o 22.35441 3.881357  6.923729 1.210170   7.500000 1.700000   5.500000 4.200000   25.04337 2.964120   19.66544   7.174519 5.377928 7.762714 
1 1 1  -43    5    2 o 16.52072 3.682102  3.418750 1.031250   3.700000 1.500000   2.800000 3.300000   17.08154 3.917839   15.95991   6.235547 1.121630 7.364204 
1 1 1  -43    5    3 o 39.20467 2.583784  19.22500 1.050000   19.80000 1.400000   17.50000 4.200000   41.37336 1.477566   37.03598   4.951824 4.337387 5.167569 
1 1 1  -43    5    4 o 13.58514 3.541813  1.712245 0.9061225   2.300000 1.200000 -0.1000000 3.700000   13.57694 3.740062   13.59334   6.015787 -0.1640034E-01 7.083626 
1 1 1  -43    5    5 o 48.79208 1.714459  27.96667 1.133333   28.20000 1.700000   27.50000 3.400000   49.41959 1.502068   48.16456   3.082414 1.255024 3.428919 
1 1 1  -43    5    6 o 51.90878 1.964222  30.20000 1.073333   28.80000 1.400000   34.80000 4.600000   50.01740 1.222212   53.80017   3.733480 -3.782776 3.928445 
1 1 1  -43    5    7 o 15.32170 3.585576  2.420000 0.7200000   2.300000 0.9000000   2.900000 3.600000   13.74576 2.947457   16.89763   6.537424 -3.151868 7.171152 
1 1 1  -43    5    8 o 8.630451 2.869011 -0.4743589 0.5743589  0.1000000 0.7000000  -3.100000 3.200000   6.598151 2.761742   10.66275   5.029679 -4.064600 5.738022 
1 1 1  -43    5    9 o 58.61340 1.593422  37.38546 0.9381819   35.40000 1.200000   44.50000 4.300000   55.54438 0.9433674   61.68242   3.044015 -6.138042 3.186843 
1 1 1  -43    5   10 o 29.44637 3.308509  10.58689 1.514754   11.00000 2.800000   10.10000 3.300000   30.44527 4.015853   28.44746   5.259073 1.997814 6.617018 
1 1 1  -43    5   11 o 36.96418 2.756882  16.10909 1.636364   15.20000 3.000000   17.20000 3.600000   35.89821 3.649120   38.03015   4.133463 -2.131939 5.513764 
1 1 1  -43    5   12 o 23.53981 1.377941  6.395238 0.5238096   6.300000 1.000000   6.500000 1.100000   23.36394 1.868933   23.71569   2.025334 -0.3517532 2.755882 
1 1 1  -43    5   13 o 24.94628 1.486240  7.200000 0.6000000   6.900000 1.200000   7.500000 1.200000   24.42117 2.145629   25.47140   2.057161 -1.050232 2.972479 
1 1 1  -43    5   14 o 46.43941 1.162317  24.70286 0.8685715   22.60000 1.600000   27.20000 1.900000   44.30127 1.577043   48.57756   1.707881 -4.276299 2.324634 
1 1 1  -43    5   15 o 34.90057 1.517471  14.12353 0.8382353   14.30000 1.500000   13.90000 1.900000   35.19480 1.861026   34.60633   2.397385 0.5884666 3.034942 
1 1 1  -43    5   16 f 39.71507 1.528031  18.36923 0.9692307   17.40000 2.100000   19.20000 1.800000   38.68737 2.370226   40.74275   1.929132 -2.055378 3.056063 
1 1 1  -43    5   17 o 30.12069 1.947397  10.62632 0.9473684   10.20000 1.800000   11.10000 2.000000   29.50744 2.663671   30.73393   2.841526 -1.226494 3.894793 
1 1 1  -43    5   18 o 14.04508 3.231852  2.116667 0.8750000  0.7000000 1.500000   4.100000 2.100000   10.27322 4.141454   17.81694   4.962643 -7.543715 6.463704 
1 1 1  -43    5   19 o 49.96439 1.483797  29.03542 1.197917   28.70000 2.300000   29.40000 2.500000   49.69220 2.021061   50.23659   2.172999 -0.5443916 2.967594 
1 1 1  -43    5   20 o 32.27867 2.208960  12.47391 1.147826   13.00000 2.200000   11.90000 2.400000   33.08281 2.903755   31.47453   3.329597 1.608276 4.417919 
1 1 1  -43    5   21 o 35.79670 2.198244  15.28235 1.270588   16.50000 2.700000   14.20000 2.400000   37.10546 3.177354   34.48793   3.038672 2.617538 4.396488 
1 1 1  -43    5   22 o 31.17524 2.872800  11.90690 1.434483   11.10000 2.600000   12.90000 3.200000   30.16106 3.764146   32.18943   4.340867 -2.028364 5.745600 
1 1 1  -43    5   23 o 39.52031 2.187151  18.81250 1.398214   19.90000 2.900000   17.80000 2.700000   40.60538 3.118560   38.43523   3.067425 2.170155 4.374301 
1 1 1  -43    7    4 o 22.09567 3.630607  6.596078 1.262745   7.200000 2.800000   6.100000 2.300000   22.83267 5.433433   21.35868   4.816953 1.473991 7.261214 
1 1 1  -43    7    5 o 12.79845 3.654166  1.069388 1.224490 -0.4000000 2.400000   2.600000 2.500000   10.74768 4.795488   14.84922   5.514982 -4.101545 7.308333 
1 1 1  -43    7    6 o 36.57791 2.110519  15.95000 1.250000   15.70000 2.500000   16.20000 2.500000   36.27946 3.008977   36.87635   2.960273 -0.5968857 4.221038 
1 1 1  -43    7    7 o 29.50528 2.476112  10.57234 1.174468   11.60000 2.300000   9.500000 2.400000   31.09399 3.229915   27.91658   3.753953 3.177412 4.952223 
1 1 1  -43    7    8 o 14.17410 3.225426  1.963415 1.024390   4.500000 2.000000 -0.7000000 2.100000   18.55660 4.700831   9.791589   4.417656 8.765016 6.450853 
1 1 1  -43    7    9 o 15.93717 3.033406  3.083784 0.9243243   5.600000 1.900000  0.7000000 1.800000   21.01628 4.094838   10.85806   4.476440 10.15822 6.066813 
1 1 1  -43    7   10 o 26.29475 2.217412  8.381082 0.9189189   9.300000 1.700000   7.300000 2.000000   28.04838 2.646555   24.54112   3.558568 3.507257 4.434824 
1 1 1  -43    7   11 o 40.32272 1.591284  19.14146 1.009756   19.80000 1.800000   18.30000 2.300000   41.24483 1.905648   39.40062   2.548969 1.844212 3.182568 
1 1 1  -43    7   12 o 11.83690 3.304781  1.007500 0.9775000   1.900000 1.700000 -0.2000000 2.300000   12.86898 4.581253   10.80483   4.764287 2.064148 6.609562 
1 1 1  -43    7   13 f 23.83971 2.774240  7.070732 1.019512   4.800000 1.900000   9.700000 2.200000   19.30742 4.395614   28.37201   3.385886 -9.064583 5.548481 
1 1 1  -43    7   14 o 43.39231 1.602431  21.94444 1.111111   20.70000 2.000000   23.50000 2.500000   42.09846 2.074452   44.68615   2.442906 -2.587692 3.204862 
1 1 1  -43    7   15 o 21.29153 3.156923  6.123256 1.060465   8.200000 1.900000   3.500000 2.400000   26.15574 3.171950   16.42732   5.459247 9.728416 6.313845 
1 1 1  -43    7   16 o 19.37592 3.536506  4.980000 1.120000   5.400000 2.100000   4.500000 2.400000   20.40054 4.604152   18.35131   5.369292 2.049227 7.073013 
1 1 1  -43    7   17 o 58.00958 1.473717  39.38182 1.363636   40.20000 2.500000   38.40000 3.000000   58.79024 1.856840   57.22892   2.288998 1.561314 2.947434 
1 1 1  -43    7   18 f 29.97008 2.650211  10.95294 1.270588   8.600000 2.400000   13.60000 2.700000   26.44251 3.963221   33.49764   3.519567 -7.055130 5.300422 
1 1 1  -43    7   19 o 16.52034 4.335388  2.746835 1.670886  -1.500000 5.500000   4.600000 2.400000   14.66084 6.810188   18.37984   5.366907 -3.718995 8.670775 
1 1 1  -43    7   20 o 22.62746 3.628084  7.000000 1.300000   7.500000 2.600000   6.500000 2.600000   23.56758 4.973523   21.68734   5.283565 1.880234 7.256168 
1 1 1  -42    0    1 o 78.14961 1.734034  70.30000 3.100000   70.30000 3.100000   70.30000 3.100000   78.14961 1.734034   78.14961   1.734034 0.000000 0.000000 
1 1 1  -42    0    2 o 6.112000 4.166278 -1.000000 1.800000  -1.000000 1.800000  -1.000000 1.800000   6.112000 4.166278   6.112000   4.166278 -0.000000 0.000000 
1 1 1  -42    0    3 o 33.78079 2.219429  13.30000 1.700000   13.30000 1.700000   13.30000 1.700000   33.78079 2.219429   33.78079   2.219429 0.000000 0.000000 
1 1 1  -42    0    4 o 59.80061 1.462350  41.10000 2.000000   41.10000 2.000000   41.10000 2.000000   59.80061 1.462350   59.80061   1.462350 0.000000 0.000000 
1 1 1  -42    0    5 o 78.19881 1.452952  70.20000 2.600000   70.20000 2.600000   70.20000 2.600000   78.19881 1.452952   78.19881   1.452952 -0.000000 0.000000 
1 1 1  -42    0    6 o 96.73421 1.535625  107.4000 3.400000   107.4000 3.400000   107.4000 3.400000   96.73421 1.535625   96.73421   1.535625 -0.000000 0.000000 
1 1 1  -42    0    7 o 24.18258 1.642492  6.800000 0.9000000   6.800000 0.9000000   6.800000 0.9000000   24.18258 1.642492   24.18258   1.642492 -0.000000 0.000000 
1 1 1  -42    0    8 o 69.84529 1.439285  56.00000 2.300000   56.00000 2.300000   56.00000 2.300000   69.84529 1.439285   69.84529   1.439285 -0.000000 0.000000 
1 1 1  -42    0    9 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -42    0   10 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -42    0   11 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -42    0   12 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -42    0   13 o 62.57549 1.047372  44.90000 1.500000   44.90000 1.500000   44.90000 1.500000   62.57549 1.047372   62.57549   1.047372 -0.000000 0.000000 
1 1 1  -42    0   14 o 8.405416 4.223603  1.200000 1.000000   1.200000 1.000000   1.200000 1.000000   8.405416 4.223603   8.405416   4.223603 -0.000000 0.000000 
1 1 1  -42    0   15 o 53.34377 1.475982  32.70000 1.800000   32.70000 1.800000   32.70000 1.800000   53.34377 1.475982   53.34377   1.475982 -0.000000 0.000000 
1 1 1  -42    0   16 o 6.812570 4.135885 0.5000000 1.200000  0.5000000 1.200000  0.5000000 1.200000   6.812570 4.135885   6.812570   4.135885 -0.000000 0.000000 
1 1 1  -42    0   17 o 8.763829 4.927948  1.200000 1.500000   1.200000 1.500000   1.200000 1.500000   8.763829 4.927948   8.763829   4.927948 -0.000000 0.000000 
1 1 1  -42    0   18 o 104.0432 1.679737  124.3000 4.000000   124.3000 4.000000   124.3000 4.000000   104.0432 1.679737   104.0432   1.679737 -0.000000 0.000000 
1 1 1  -42    0   19 o 28.55887 2.489887  9.600000 1.600000   9.600000 1.600000   9.600000 1.600000   28.55887 2.489887   28.55887   2.489887 -0.000000 0.000000 
1 1 1  -42    0   20 o 121.8711 2.115370  171.0000 5.900000   171.0000 5.900000   171.0000 5.900000   121.8711 2.115370   121.8711   2.115370 -0.000000 0.000000 
1 1 1  -42    0   21 o 19.06056 5.542243  5.200000 2.100000   5.200000 2.100000   5.200000 2.100000   19.06056 5.542243   19.06056   5.542243 0.000000 0.000000 
1 1 1  -42    0   22 o 30.59241 3.221910  11.20000 2.200000   11.20000 2.200000   11.20000 2.200000   30.59241 3.221910   30.59241   3.221910 0.000000 0.000000 
1 1 1  -42    0   23 o 6.130079 4.319925 -2.600000 2.400000  -2.600000 2.400000  -2.600000 2.400000   6.130079 4.319925   6.130079   4.319925 0.000000 0.000000 
1 1 1  -42    0   24 o 15.00856 6.174801  3.800000 2.100000   3.800000 2.100000   3.800000 2.100000   15.00856 6.174801   15.00856   6.174801 -0.000000 0.000000 
1 1 1  -42    0   25 o 39.37884 3.384075  18.60000 3.000000   18.60000 3.000000   18.60000 3.000000   39.37884 3.384075   39.37884   3.384075 0.000000 0.000000 
1 1 1  -42    0   26 o 12.64852 6.782830  3.000000 2.700000   3.000000 2.700000   3.000000 2.700000   12.64852 6.782830   12.64852   6.782830 -0.000000 0.000000 
1 1 1  -42    0   27 o 70.11231 2.310024  57.40000 3.700000   57.40000 3.700000   57.40000 3.700000   70.11231 2.310024   70.11231   2.310024 -0.000000 0.000000 
1 1 1  -42    2    1 o 87.39775 1.492618  88.17531 1.832099   87.00000 2.800000   90.40000 5.300000   86.89554 1.407020   87.89997   2.632855 -1.004433 2.985235 
1 1 1  -42    2    2 o 30.44148 2.769280  12.16667 1.000000   14.00000 1.500000   8.500000 3.000000   34.82631 1.880718   26.05665   5.209468 8.769655 5.538561 
1 1 1  -42    2    3 o 20.23385 2.650710  4.766667 0.7333333   4.400000 1.100000   5.500000 2.200000   19.46414 2.467727   21.00356   4.692054 -1.539421 5.301419 
1 1 1  -42    2    4 o 83.16093 1.332298  79.21739 1.565217   78.00000 2.400000   81.50000 4.500000   82.40401 1.271752   83.91785   2.341520 -1.513832 2.664596 
1 1 1  -42    2    5 o 78.80411 1.414722  71.43880 1.402985   71.20000 2.000000   72.00000 4.700000   78.77089 1.108674   78.83733   2.603189 -0.6643677E-01 2.829443 
1 1 1  -42    2    6 o 58.19444 1.819534  39.37647 1.694118   36.20000 3.600000   42.20000 3.200000   55.91160 2.811514   60.47728   2.310455 -4.565674 3.639067 
1 1 1  -42    2    7 o 67.73977 1.577982  52.79855 1.707246   51.90000 3.100000   53.90000 3.800000   67.14080 2.016113   68.33874   2.428043 -1.197937 3.155963 
1 1 1  -42    2    8 o 29.88784 2.160191  10.50244 1.019512   11.80000 1.900000   9.000000 2.200000   31.95921 2.595956   27.81648   3.453506 4.142725 4.320381 
1 1 1  -42    2    9 o 75.94351 1.552356  66.65000 1.900000   59.20000 3.800000   74.10000 3.800000   71.65994 2.315511   80.22707   2.068247 -8.567131 3.104712 
1 1 1  -42    2   10 o 84.93045 1.785128  83.27551 2.448980   74.90000 4.800000   92.00000 5.000000   80.54791 2.602116   89.31298   2.444529 -8.765068 3.570256 
1 1 1  -42    2   11 o 67.81467 1.502990  52.95000 1.650000   51.40000 3.300000   54.50000 3.300000   66.81663 2.156598   68.81270   2.094040 -1.996071 3.005980 
1 1 1  -42    2   12 o 67.82988 1.690516  53.14459 1.844595   51.30000 3.900000   54.80000 3.500000   66.67892 2.553970   68.98084   2.215538 -2.301926 3.381031 
1 1 1  -42    2   13 o 69.40713 1.823243  55.49634 2.045122   58.80000 4.300000   52.50000 3.900000   71.36165 2.631136   67.45261   2.524676 3.909042 3.646487 
1 1 1  -42    2   14 o 46.48050 2.152993  25.26094 1.598437   21.60000 3.300000   28.70000 3.100000   43.12889 3.341068   49.83211   2.716390 -6.703217 4.305985 
1 1 1  -42    2   15 o 49.60218 1.520150  28.02500 0.8250000   29.00000 3.300000   27.70000 1.100000   50.05130 2.878978   49.15306  0.9771963 0.8982391 3.040300 
1 1 1  -42    2   16 o 97.61214 1.343947  108.9037 1.874390   112.2000 5.300000   107.1000 2.900000   98.62382 2.346571   96.60046   1.310867 2.023361 2.687893 
1 1 1  -42    2   17 f 32.12711 1.945563  12.12368 0.8552631   11.40000 2.500000   12.50000 1.300000   31.28354 3.489505   32.97069   1.721690 -1.687153 3.891126 
1 1 1  -42    2   18 o 60.45026 1.444406  41.27273 1.243636   45.20000 3.600000   39.20000 1.900000   62.49136 2.515488   58.40916   1.420406 4.082207 2.888811 
1 1 1  -42    2   19 o 62.38970 1.315781  44.60943 1.301887   47.10000 3.000000   42.70000 2.300000   63.87432 2.050854   60.90508   1.648975 2.969238 2.631562 
1 1 1  -42    2   20 o 81.53702 1.804734  75.80323 2.129032   82.90000 6.000000   71.90000 3.300000   84.13968 3.113796   78.93436   1.825524 5.205315 3.609468 
1 1 1  -42    2   21 o 31.56446 2.102133  11.59767 1.069767   12.40000 2.300000   10.90000 2.000000   32.55777 3.084700   30.57115   2.856656 1.986612 4.204266 
1 1 1  -42    2   22 o 14.37337 3.595839  1.746809 1.170213 -0.5000000 2.200000   4.300000 2.500000   10.41415 4.622315   18.33260   5.509486 -7.918450 7.191678 
1 1 1  -42    2   23 o 89.86723 1.563474  94.15495 2.274725   93.70000 4.600000   94.60000 4.500000   89.63072 2.240994   90.10374   2.180768 -0.4730148 3.126948 
1 1 1  -42    2   24 o 32.78635 2.550316  13.03333 1.348148   11.30000 2.600000   14.90000 2.800000   30.46091 3.727093   35.11178   3.482129 -4.650873 5.100632 
1 1 1  -42    2   25 o 49.30414 1.722199  28.58000 1.374545   29.70000 2.800000   27.50000 2.700000   50.25406 2.432913   48.35422   2.438199 1.899837 3.444398 
1 1 1  -42    2   26 o 43.17374 2.157469  22.50000 1.500000   19.90000 3.000000   25.10000 3.000000   40.54411 3.230972   45.80336   2.859984 -5.259247 4.314938 
1 1 1  -42    4    1 o 25.09098 3.484616  8.596079 1.098039   9.600000 1.600000   6.400000 3.500000   28.62094 2.441045   21.56101   6.527749 7.059933 6.969233 
1 1 1  -42    4    2 o 15.51532 4.195385  2.322034 1.067797   1.800000 1.400000   4.000000 4.500000   12.39766 4.170206   18.63298   7.281099 -6.235316 8.390770 
1 1 1  -42    4    3 o 38.95248 2.369873  18.61923 1.023077   19.40000 1.400000   16.50000 3.800000   41.02721 1.490032   36.87775   4.499444 4.149464 4.739747 
1 1 1  -42    4    4 o 41.62856 1.887336  19.57500 0.9916667   18.70000 1.400000   21.70000 3.400000   40.30594 1.516696   42.95118   3.456556 -2.645237 3.774672 
1 1 1  -42    4    5 o 45.88717 2.274453  24.42034 1.013559   24.20000 1.300000   25.20000 4.600000   45.88906 1.237012   45.88527   4.377481 0.3791809E-02 4.548905 
1 1 1  -42    4    6 o 10.45167 3.205802      0.02 0.6693878  0.9000000 0.8000000  -4.500000 4.100000   9.162779 3.151476   11.74056   5.583625 -2.577779 6.411604 
1 1 1  -42    4    7 o 44.21323 2.037747  22.81552 1.443103   23.70000 2.700000   21.80000 3.100000   45.19960 2.608368   43.22687   3.131465 1.972729 4.075495 
1 1 1  -42    4    8 o 11.78189 3.610639 -0.3882353 1.235294  -1.500000 2.100000   1.200000 3.000000   9.269642 4.271310   14.29414   5.822607 -5.024500 7.221277 
1 1 1  -42    4    9 o 92.99879 1.809462  100.0459 2.722936   94.60000 5.300000   105.8000 5.600000   90.39754 2.560112   95.60005   2.557818 -5.202507 3.618923 
1 1 1  -42    4   10 o 64.83298 1.943061  48.74444 2.000000   49.10000 3.600000   48.30000 4.500000   65.18634 2.411491   64.47962   3.047402 0.7067184 3.886122 
1 1 1  -42    4   11 o 65.68591 1.815267  49.83636 1.909091   49.20000 3.500000   50.60000 4.200000   65.27964 2.341154   66.09219   2.774846 -0.8125534 3.630533 
1 1 1  -42    4   12 o 78.30437 1.814877  70.65870 2.282609   67.60000 4.200000   74.30000 5.000000   76.50388 2.397207   80.10486   2.725529 -3.600983 3.629754 
1 1 1  -42    4   13 o 29.09210 2.920303  9.952727 1.374545   9.800000 2.800000   10.10000 2.700000   28.85288 4.237489   29.33133   4.019497 -0.4784489 5.840606 
1 1 1  -42    4   14 o 67.87140 1.357842  51.18246 1.192982   58.20000 4.000000   48.20000 1.700000   70.93421 2.462317   64.80858   1.145397 6.125633 2.715684 
1 1 1  -42    4   15 o 22.83825 3.099905  7.274359 0.7435898   4.300000 2.900000   8.300000 1.000000   18.81754 5.982862   26.85896   1.625738 -8.041416 6.199811 
1 1 1  -42    4   16 o 94.51749 1.740629  103.7113 2.634906   106.3000 4.900000   100.7000 5.700000   95.89310 2.231251   93.14188   2.672204 2.751213 3.481257 
1 1 1  -42    4   17 o 56.46813 1.285263  36.75532 1.174468   34.70000 2.300000   38.90000 2.400000   54.85273 1.830920   58.08353   1.804255 -3.230797 2.570526 
1 1 1  -42    4   18 o 41.65982 1.622571  20.38140 1.069767   17.60000 2.300000   22.80000 2.000000   38.89975 2.581789   44.41989   1.966040 -5.520138 3.245142 
1 1 1  -42    4   19 o 68.65800 1.308615  54.44828 1.443103   55.10000 2.700000   53.70000 3.100000   69.13985 1.705199   68.17616   1.985495 0.9636917 2.617230 
1 1 1  -42    4   20 o 27.20191 2.673975  8.829787 1.174468   7.900000 2.300000   9.800000 2.400000   25.70092 3.907679   28.70290   3.651113 -3.001978 5.347951 
1 1 1  -42    4   21 o 61.13872 1.415918  43.47321 1.398214   44.10000 2.700000   42.80000 2.900000   61.63583 1.912803   60.64161   2.088176 0.9942207 2.831836 
1 1 1  -42    4   22 o 23.32768 3.009007  6.809091 1.097727   8.900000 2.300000   4.900000 2.100000   27.16488 3.697088   19.49047   4.748476 7.674404 6.018013 
1 1 1  -42    4   23 o 36.25822 2.099131  15.73061 1.224490   14.20000 2.500000   17.20000 2.400000   34.42192 3.171353   38.09452   2.750986 -3.672607 4.198263 
1 1 1  -42    4   24 f 16.08336 3.735528  3.326667 1.120000   3.700000 2.400000   3.000000 2.100000   16.79836 5.453351   15.36836   5.106626 1.429999 7.471055 
1 1 1  -42    4   25 o 33.76860 2.882525  14.45000 1.543548   12.80000 3.300000   15.90000 2.900000   31.55884 4.565966   35.97837   3.519624 -4.419533 5.765049 
1 1 1  -42    6    1 o 55.59664 1.964215  35.06716 1.361194   32.60000 1.900000   41.30000 4.800000   53.02799 1.564545   58.16529   3.603438 -5.137302 3.928431 
1 1 1  -42    6    2 o 16.39518 3.551287  2.983051 1.210170   5.000000 1.700000  -2.000000 4.200000   19.94563 3.861240   12.84474   5.961324 7.100883 7.102574 
1 1 1  -42    6    3 o 10.22134 3.378881 -0.9000000 1.037037 -0.2000000 1.400000  -2.900000 4.000000   8.486229 3.730365   11.95646   5.634867 -3.470228 6.757762 
1 1 1  -42    6    4 o 31.55157 2.474946  12.72889 1.031111   14.40000 1.600000   9.700000 2.900000   35.17334 1.986306   27.92982   4.533876 7.243521 4.949893 
1 1 1  -42    6    5 o 15.93248 3.616852  2.900000 0.9750000   3.600000 1.300000  0.8000000 3.900000   17.08792 3.440982   14.77704   6.362870 2.310882 7.233704 
1 1 1  -42    6    6 o 45.70681 1.619308  23.96667 1.166667   21.30000 2.000000   27.70000 2.800000   42.79890 2.040503   48.61473   2.514953 -5.815834 3.238617 
1 1 1  -42    6    7 o 12.12909 3.074110  1.148571 0.8742857   2.800000 1.700000 -0.6000000 1.800000   15.02021 4.549828   9.237980   4.135174 5.782228 6.148219 
1 1 1  -42    6    8 o 40.89497 1.509956  19.36500 0.9974999   18.70000 1.900000   20.10000 2.100000   40.17353 2.065158   41.61641   2.203405 -1.442879 3.019912 
1 1 1  -42    6    9 o 44.65060 1.350811  22.66923 0.9435897   20.70000 1.600000   25.50000 2.300000   42.37560 1.648709   46.92561   2.140216 -4.550018 2.701622 
1 1 1  -42    6   10 o 14.53729 2.923868  2.550000 0.7500000   3.500000 1.500000   1.600000 1.500000   16.85584 3.954069   12.21874   4.308289 4.637104 5.847736 
1 1 1  -42    6   11 o 21.47326 2.425753  5.600000 0.8000000   7.100000 1.600000   4.100000 1.600000   24.67432 2.831486   18.27220   3.939518 6.402122 4.851507 
1 1 1  -42    6   12 o 25.45582 1.938677  7.431250 0.7875000   5.900000 1.400000   9.400000 1.800000   22.50909 2.715876   28.40255   2.767291 -5.893465 3.877355 
1 1 1  -42    6   13 o 20.88908 2.624442  5.302941 0.8382353   5.700000 1.500000   4.800000 1.900000   22.08524 2.965712   19.69291   4.330743 2.392324 5.248884 
1 1 1  -42    6   14 o 37.93906 1.638315  16.72000 0.9900000   16.90000 1.800000   16.50000 2.200000   38.21878 2.056531   37.65934   2.550878 0.5594482 3.276630 
1 1 1  -42    6   15 o 39.26933 1.655093  17.77143 1.028571   16.70000 1.800000   19.20000 2.400000   37.96428 2.070318   40.57437   2.582850 -2.610088 3.310185 
1 1 1  -42    6   16 o 63.00764 1.444473  45.83221 1.464407   42.40000 2.700000   49.90000 3.200000   60.48091 1.949329   65.53438   2.132164 -5.053467 2.888945 
1 1 1  -42    6   17 o 24.57695 2.578316  7.265000 0.9900000   5.600000 1.800000   9.300000 2.200000   21.26318 3.837652   27.89073   3.444313 -6.627546 5.156632 
1 1 1  -42    6   18 o 33.70232 2.310630  13.54000 1.248000   16.40000 2.600000   10.90000 2.400000   37.21327 3.050810   30.19136   3.471109 7.021912 4.621260 
1 1 1  -42    6   19 o 49.22512 1.569629  28.11600 1.232000   26.40000 2.200000   30.30000 2.800000   47.61585 2.017488   50.83440   2.405138 -3.218552 3.139259 
1 1 1  -42    6   20 o 11.15528 4.790734  0.000000 0.000000          ?        ?  0.3000000 2.200000          ?        ?   11.15528   4.790734       ?       ? 
1 1 1  -42    6   21 o 21.68324 3.729414  6.377358 1.313208   7.600000 2.400000   4.900000 2.900000   24.38807 4.461493   18.97842   5.977390 5.409657 7.458827 
1 1 1  -42    6   22 o 19.95668 3.479818  5.153061 1.212245   2.100000 2.200000   8.900000 2.700000   13.71974 5.158069   26.19362   4.672351 -12.47389 6.959636 
1 1 1  -42    6   23 o 21.44771 3.796098  6.379245 1.320755   5.200000 2.500000   7.700000 2.800000   19.26689 5.431791   23.62853   5.304440 -4.361643 7.592196 
1 1 1  -42    8    4 o 9.081390 3.076918 -2.694118 1.262745  -2.200000 2.800000  -3.100000 2.300000   9.936114 4.692390   8.226667   3.981354 1.709447 6.153837 
1 1 1  -42    8    5 o 29.76828 2.931450  11.20000 1.400000   12.80000 2.800000   9.600000 2.800000   32.11525 3.807032   27.42132   4.458711 4.693922 5.862900 
1 1 1  -42    8    6 o 14.28698 3.863877  2.256000 1.248000   2.100000 2.600000   2.400000 2.400000   14.16107 5.534252   14.41289   5.393536 -0.2518272 7.727753 
1 1 1  -42    8    7 o 13.68049 3.677646  1.825532 1.174468  0.6000000 2.400000   3.000000 2.300000   11.91012 5.056118   15.45086   5.341909 -3.540734 7.355292 
1 1 1  -42    8    8 o 28.04431 2.564276  9.502174 1.141304   6.900000 2.100000   12.60000 2.500000   23.75007 3.860950   32.33855   3.375663 -8.588486 5.128551 
1 1 1  -42    8    9 o 31.99494 2.605845  12.39434 1.313208   8.500000 2.400000   17.10000 2.900000   26.30709 3.983621   37.68279   3.360428 -11.37569 5.211690 
1 1 1  -42    8   10 o 42.65684 1.926673  21.59245 1.320755   22.30000 2.500000   20.80000 2.800000   43.50613 2.509165   41.80754   2.924443 1.698593 3.853346 
1 1 1  -42    8   11 o 14.57524 3.477020  2.615385 0.9692307   2.200000 1.800000   3.100000 2.100000   13.57370 4.723862   15.57680   5.103314 -2.003100 6.954041 
1 1 1  -42    8   12 o 25.63278 2.708257  8.000000 1.120000   8.800000 2.400000   7.300000 2.100000   26.79486 3.911105   24.47070   3.747249 2.324156 5.416514 
1 1 1  -42    8   13 o 27.44799 2.795656  9.532609 1.115217   10.40000 1.900000   8.300000 2.700000   29.60819 2.802086   25.28779   4.838500 4.320398 5.591312 
1 1 1  -42    8   14 o 17.83195 3.749458  4.081132 1.313208   6.300000 2.400000   1.400000 2.900000   21.92679 4.902472   13.73710   5.674461 8.189691 7.498916 
1 1 1  -42    8   15 o 13.99338 4.003920  1.675000 1.355357   1.100000 2.300000   2.500000 3.300000   12.41001 5.081569   15.57676   6.188955 -3.166750 8.007840 
1 1 1  -42    8   16 o 20.73151 3.204144  5.809302 1.046512   7.400000 1.800000   3.600000 2.500000   24.84190 3.163934   16.62112   5.572762 8.220785 6.408288 
1 1 1  -42    8   17 o 26.28860 4.355391  10.15789 1.563158   11.20000 2.200000   7.600000 5.400000   30.51503 3.148100   22.06218   8.122019 8.452856 8.710782 
1 1 1  -42    8   18 f 13.03818 3.717618  1.426000 1.242000   2.300000 2.300000  0.4000000 2.700000   14.02628 5.273862   12.05008   5.241099 1.976201 7.435237 
1 1 1  -42    8   19 o 23.80399 3.697592  8.014035 1.403509   9.900000 2.500000   5.600000 3.200000   28.11646 3.882568   19.49151   6.293997 8.624949 7.395183 
1 1 1  -41    1    1 o 87.23351 1.447921  88.73333 1.794872   90.60000 2.800000   85.40000 5.000000   88.75407 1.377557   85.71296   2.547201 3.041107 2.895841 
1 1 1  -41    1    2 o 56.36343 1.613374  36.26786 1.221429   35.40000 1.800000   38.10000 3.800000   55.49648 1.416273   57.23040   2.899323 -1.733921 3.226748 
1 1 1  -41    1    3 o 25.04632 2.396838  7.900000 0.8029411   9.200000 1.300000   5.800000 2.100000   28.25850 2.008787   21.83414   4.352482 6.424360 4.793676 
1 1 1  -41    1    4 o 29.79651 2.092718  10.00526 0.7815790   9.600000 1.100000   11.00000 2.700000   28.90126 1.661941   30.69176   3.841331 -1.790499 4.185435 
1 1 1  -41    1    5 o 46.76876 1.328268  24.53333 0.8666666   23.20000 1.300000   27.20000 2.600000   44.96679 1.262383   48.57073   2.337429 -3.603947 2.656536 
1 1 1  -41    1    6 f 87.98085 1.274536  86.04858 1.508572   80.80000 2.200000   97.50000 4.800000   83.94296 1.144401   92.01875   2.277743 -8.075790 2.549071 
1 1 1  -41    1    7 o 44.32874 1.538185  22.59091 1.090909   22.50000 2.000000   22.70000 2.400000   44.24781 1.973685   44.40966   2.359791 -0.1618538 3.076369 
1 1 1  -41    1    8 o 82.01392 1.518084  75.90250 1.898750   70.40000 3.100000   84.60000 4.900000   78.30726 1.728619   85.72057   2.496036 -7.413307 3.036168 
1 1 1  -41    1    9 o 88.28227 1.504316  89.60000 2.148837   89.60000 4.200000   89.60000 4.400000   88.29047 2.077185   88.27408   2.176503 0.1638794E-01 3.008631 
1 1 1  -41    1   10 o 86.03223 1.415947  84.41772 1.959494   73.80000 3.600000   97.10000 4.300000   80.14612 1.961371   91.91833   2.042707 -11.77222 2.831894 
1 1 1  -41    1   11 o 48.40909 1.375966  26.99070 1.074419   28.70000 2.100000   25.20000 2.200000   49.99128 1.834276   46.82690   2.051478 3.164375 2.751933 
1 1 1  -41    1   12 o 33.01297 1.686002  12.47778 0.8888889   11.90000 1.600000   13.20000 2.000000   32.17132 2.171655   33.85461   2.579597 -1.683296 3.372003 
1 1 1  -41    1   13 o 74.16741 1.538019  63.82877 1.821918   55.50000 3.800000   71.50000 3.500000   69.44505 2.389362   78.88977   1.937256 -9.444717 3.076038 
1 1 1  -41    1   14 o 80.96107 1.280713  73.81538 1.455385   80.10000 4.300000   70.60000 2.200000   83.45245 2.249930   78.46969   1.224223 4.982758 2.561427 
1 1 1  -41    1   15 o 91.45168 1.029337  95.74262 1.521312   102.3000 3.200000   89.80000 2.900000   94.42735 1.479762   88.47601   1.431239 5.951332 2.058675 
1 1 1  -41    1   16 o 110.1432 1.261342  139.1822 2.245556   144.3000 4.700000   134.5000 4.300000   112.0701 1.831250   108.2162   1.735066 3.853951 2.522683 
1 1 1  -41    1   17 o 35.72031 1.615512  14.71351 0.9081081   14.60000 2.100000   14.80000 1.600000   35.56906 2.578022   35.87156   1.947644 -0.3024940 3.231023 
1 1 1  -41    1   18 o 56.25527 1.207134  36.31818 1.097727   38.20000 2.300000   34.60000 2.100000   57.64254 1.742306   54.86800   1.671244 2.774540 2.414267 
1 1 1  -41    1   19 o 44.50502 1.526153  22.71818 1.090909   24.30000 2.400000   21.40000 2.000000   45.90159 2.283091   43.10844   2.025851 2.793152 3.052307 
1 1 1  -41    1   20 o 79.63599 1.300309  73.05672 1.671642   72.90000 3.500000   73.20000 3.200000   79.53261 1.921598   79.73936   1.752334 -0.2067490 2.600618 
1 1 1  -41    1   21 f 11.00210 3.304009 0.1780488 1.019512  0.5000000 2.200000 -0.1000000 1.900000   11.76702 4.908125   10.23719   4.424502 1.529824 6.608019 
1 1 1  -41    1   22 o 62.20266 1.416971  44.72982 1.424561   48.80000 2.900000   40.80000 2.800000   65.00063 1.948140   59.40469   2.058150 5.595936 2.833942 
1 1 1  -41    1   23 o 29.71150 2.342680  10.42667 1.124444   11.50000 2.300000   9.400000 2.200000   31.23406 3.215430   28.18893   3.407876 3.045126 4.685361 
1 1 1  -41    1   24 o 41.65137 1.770166  20.50426 1.161702   21.80000 2.100000   18.90000 2.600000   43.27183 2.119111   40.03091   2.836074 3.240917 3.540331 
1 1 1  -41    1   25 f 19.25034 3.724306  4.940384 1.298077   2.500000 2.700000   7.200000 2.500000   14.97035 5.694206   23.53032   4.801858 -8.559967 7.448612 
1 1 1  -41    1   26 o 79.05476 1.600772  73.10488 2.045122   69.30000 3.900000   77.30000 4.300000   76.93601 2.213475   81.17352   2.313097 -4.237503 3.201545 
1 1 1  -41    1   27 o 10.50852 3.375448 -0.7520000 1.248000 -0.8000000 2.400000 -0.7000000 2.600000   10.25430 4.664626   10.76274   4.880150 -0.5084438 6.750896 
1 1 1  -41    3    1 o 38.14272 2.179424  16.63200 1.008000   16.10000 1.400000   18.00000 3.600000   37.37939 1.635443   38.90606   4.040406 -1.526661 4.358848 
1 1 1  -41    3    2 o 14.96072 3.600963  2.485714 0.9642857   2.200000 1.500000   3.000000 2.700000   13.60876 4.300304   16.31268   5.777122 -2.703918 7.201927 
1 1 1  -41    3    3 o 15.26328 3.472848  2.408000 0.8580000   3.200000 1.100000 -0.4000000 3.900000   16.31508 3.056349   14.21149   6.237100 2.103591 6.945695 
1 1 1  -41    3    4 o 116.1100 1.545347  155.1491 2.421818   154.2000 3.600000   157.1000 7.400000   115.8611 1.356764   116.3589   2.776974 -0.4977951 3.090695 
1 1 1  -41    3    5 o 11.42619 2.664770  1.122581 0.5935484   2.000000 0.8000000  -1.400000 2.300000   12.90254 2.788742   9.949842   4.541687 2.952697 5.329541 
1 1 1  -41    3    6 o 77.70703 1.867989  69.76383 2.348936   65.80000 4.600000   73.90000 4.800000   75.44672 2.662301   79.96735   2.621008 -4.520630 3.735978 
1 1 1  -41    3    7 o 19.99463 3.446321  4.821428 1.335714   8.200000 2.200000 -0.4000000 3.400000   26.53761 3.619933   13.45164   5.865542 13.08597 6.892641 
1 1 1  -41    3    8 o 17.29495 3.846293  3.495918 1.220408   4.200000 2.300000   2.700000 2.600000   18.58363 5.199759   16.00627   5.669072 2.577368 7.692585 
1 1 1  -41    3    9 o 142.8603 2.389321  237.4336 5.492727   220.8000 11.40000   252.9000 10.60000   137.8908 3.610016   147.8297   3.131006 -9.938873 4.778641 
1 1 1  -41    3   10 o 44.43810 1.981993  22.81053 1.424561   23.40000 2.800000   22.20000 2.900000   45.03400 2.714921   43.84219   2.888321 1.191811 3.963987 
1 1 1  -41    3   11 o 19.56438 4.095213  4.400000 1.500000   6.900000 3.000000   1.900000 3.000000   23.71628 5.611125   15.41249   5.966435 8.303789 8.190426 
1 1 1  -41    3   12 o 42.76261 2.272512  21.03175 1.565079   18.50000 2.900000   24.00000 3.400000   39.99044 3.166515   45.53479   3.260433 -5.544350 4.545024 
1 1 1  -41    3   13 o 54.47007 1.925843  33.97794 1.686765   39.80000 3.700000   29.10000 3.100000   58.72109 2.751359   50.21904   2.695460 8.502045 3.851686 
1 1 1  -41    3   14 f 51.90496 1.456012  30.75000 0.8250000   31.50000 3.300000   30.50000 1.100000   52.22509 2.759145   51.58483  0.9311301 0.6402550 2.912024 
1 1 1  -41    3   15 o 63.95394 1.618616  45.82857 1.285714   50.40000 4.500000   44.00000 1.800000   65.98130 2.978046   61.92657   1.269215 4.054726 3.237231 
1 1 1  -41    3   16 o 72.06389 1.464053  60.95938 1.443750   56.30000 4.200000   63.40000 2.200000   69.80045 2.627428   74.32732   1.292450 -4.526878 2.928106 
1 1 1  -41    3   17 f 131.0724 1.856879  199.2899 3.322148   196.3000 9.900000   200.8000 5.000000   129.9642 3.326221   132.1806   1.651741 -2.216446 3.713757 
1 1 1  -41    3   18 o 109.9533 1.628228  0.000000 0.000000          ?        ?   139.0000 4.100000          ?        ?   109.9533   1.628228       ?       ? 
1 1 1  -41    3   19 o 36.86730 2.292254  16.90625 1.031250   13.40000 3.300000   18.50000 1.500000   33.63917 4.283594   40.09543   1.633564 -6.456261 4.584507 
1 1 1  -41    3   20 o 90.72086 1.661473  95.34468 2.170213   95.60000 6.000000   95.20000 3.400000   90.53082 2.893973   90.91090   1.633062 -0.3800888 3.322946 
1 1 1  -41    3   21 o 20.66993 3.834937  5.424138 1.112069   3.200000 4.300000   6.200000 1.500000   18.27999 7.124557   23.05987   2.840365 -4.779875 7.669875 
1 1 1  -41    3   22 o 44.66218 2.155888  23.72373 1.352542   22.50000 3.800000   24.40000 2.100000   43.42553 3.821010   45.89882   1.997825 -2.473293 4.311777 
1 1 1  -41    3   23 o 24.81746 3.326914  7.776923 1.292308   7.400000 2.800000   8.100000 2.400000   23.82539 5.271283   25.80953   4.060419 -1.984142 6.653828 
1 1 1  -41    3   24 o 16.09730 4.091668  3.050000 1.398214   4.500000 2.900000   1.700000 2.700000   18.32724 5.996750   13.86736   5.568301 4.459882 8.183336 
1 1 1  -41    3   25 o 31.23294 2.877173  12.67255 1.192157   14.20000 1.900000   10.10000 3.200000   34.76543 2.386414   27.70045   5.236175 7.064978 5.754346 
1 1 1  -41    3   26 o 22.85826 3.819517  7.012281 1.403509   4.600000 2.500000   10.10000 3.200000   18.30927 5.511066   27.40725   5.289894 -9.097979 7.639033 
1 1 1  -41    5    1 o 51.62004 1.863832  31.26207 1.241379   31.20000 1.800000   31.40000 4.000000   51.97685 1.512176   51.26323   3.407169 0.7136192 3.727664 
1 1 1  -41    5    2 o 14.52275 4.086264  1.849123 1.150877   1.400000 1.600000   3.000000 4.100000   11.80975 4.406867   17.23575   6.882568 -5.425997 8.172528 
1 1 1  -41    5    3 o 29.86137 3.271366  11.19444 1.083333   11.50000 1.500000   10.40000 3.900000   31.50245 2.079154   28.22028   6.203584 3.282171 6.542732 
1 1 1  -41    5    4 f 34.31231 2.626529  14.28077 1.067308   14.80000 1.500000   13.00000 3.700000   35.81644 1.828726   32.80818   4.924468 3.008259 5.253058 
1 1 1  -41    5    5 o 22.37066 3.522250  7.470371 0.9870370   9.300000 1.300000   1.700000 4.100000   28.36495 2.001249   16.37636   6.754257 11.98858 7.044500 
1 1 1  -41    5    6 o 82.92055 1.784715  79.09311 1.691954   78.30000 2.300000   81.30000 6.400000   82.56357 1.216408   83.27752   3.355768 -0.7139511 3.569429 
1 1 1  -41    5    7 o 30.79191 2.324638  10.68095 0.7619048   10.30000 1.000000   11.90000 3.200000   29.93101 1.458876   31.65281   4.414459 -1.721798 4.649276 
1 1 1  -41    5    8 o 54.96468 1.466994  32.19800 0.9620000   29.00000 1.300000   41.30000 3.700000   50.26709 1.129274   59.66228   2.707956 -9.395191 2.933988 
1 1 1  -41    5    9 o 51.00905 1.000762  29.82727 0.8181818   29.10000 1.500000   30.70000 1.800000   50.33984 1.301125   51.67827   1.520913 -1.338432 2.001525 
1 1 1  -41    5   10 o 29.76360 1.293779  10.07600 0.6160000   8.800000 1.100000   11.70000 1.400000   27.65552 1.736803   31.87167   1.918063 -4.216145 2.587557 
1 1 1  -41    5   11 o 54.23679 1.053346  33.79189 0.9243243   33.50000 1.800000   34.10000 1.900000   54.00030 1.455513   54.47328   1.523035 -0.4729805 2.106692 
1 1 1  -41    5   12 o 98.49802 1.207972  111.6156 1.922078   111.2000 4.000000   112.0000 3.700000   98.30321 1.776773   98.69283   1.637027 -0.3896179 2.415943 
1 1 1  -41    5   13 o 60.08558 1.130533  41.42727 1.097727   37.80000 2.100000   45.40000 2.300000   57.33546 1.599321   62.83570   1.598310 -5.500244 2.261067 
1 1 1  -41    5   14 o 83.69901 1.207444  81.04308 1.621538   87.10000 3.100000   74.40000 3.400000   87.03125 1.555343   80.36676   1.847320 6.664490 2.414888 
1 1 1  -41    5   15 o 96.67291 1.357390  107.7376 2.124706   106.7000 4.200000   108.8000 4.300000   96.20644 1.906272   97.13939   1.932915 -0.9329453 2.714781 
1 1 1  -41    5   16 o 27.34517 2.094157  8.900001 0.8972222   10.60000 1.700000   7.000000 1.900000   30.24448 2.454384   24.44585   3.393815 5.798628 4.188314 
1 1 1  -41    5   17 o 15.45144 3.343140  2.761539 0.9743590   1.300000 1.900000   4.300000 2.000000   12.33776 4.756009   18.56513   4.699651 -6.227379 6.686280 
1 1 1  -41    5   18 o 46.39388 1.608372  25.05000 1.200000   28.40000 2.400000   21.70000 2.400000   49.54688 2.115118   43.24088   2.423575 6.305996 3.216744 
1 1 1  -41    5   19 o 29.37841 2.205704  10.23171 1.024390   7.500000 2.000000   13.10000 2.100000   25.23269 3.461037   33.52414   2.735277 -8.291458 4.411408 
1 1 1  -41    5   20 o 48.17808 1.410246  26.80909 1.090909   28.50000 2.400000   25.40000 2.000000   49.52557 2.116028   46.83059   1.864834 2.694984 2.820493 
1 1 1  -41    5   21 o 41.49123 1.824364  20.20612 1.224490   20.50000 2.400000   19.90000 2.500000   41.82783 2.505450   41.15463   2.652534 0.6731949 3.648728 
1 1 1  -41    5   22 o 37.73032 1.941144  16.94468 1.174468   14.80000 2.400000   19.00000 2.300000   35.27388 2.970966   40.18676   2.499105 -4.912876 3.882289 
1 1 1  -41    5   23 o 26.34534 3.817702  9.214286 1.571429   10.00000 3.300000   8.500000 3.000000   27.40969 5.449049   25.28098   5.348575 2.128712 7.635404 
1 1 1  -41    5   24 o 47.56161 2.012183  26.91936 1.548387   26.00000 3.000000   27.90000 3.200000   46.75095 2.802015   48.37226   2.888639 -1.621304 4.024366 
1 1 1  -41    5   25 o 38.88551 2.469893  18.65000 1.550000   20.30000 3.100000   17.00000 3.100000   40.73834 3.322753   37.03268   3.655243 3.705662 4.939786 
1 1 1  -41    7    1 o 23.90920 4.895693  8.177109 1.785542   7.300000 2.600000   10.10000 5.700000   23.35804 5.010622   24.46037   8.412189 -1.102322 9.791387 
1 1 1  -41    7    2 o 20.45589 3.805538  5.669230 1.292308   6.500000 2.400000   4.700000 2.800000   22.29590 4.839209   18.61589   5.874566 3.680006 7.611075 
1 1 1  -41    7    3 o 35.23732 2.282595  14.91154 1.298077   14.60000 2.700000   15.20000 2.500000   34.80085 3.387768   35.67379   3.060064 -0.8729362 4.565190 
1 1 1  -41    7    4 o 25.32972 2.892593  7.773913 1.115217   4.800000 1.900000   12.00000 2.700000   19.29656 4.397420   31.36287   3.759132 -12.06631 5.785186 
1 1 1  -41    7    5 o 27.07187 2.342463  8.739024 1.019512   8.600000 1.900000   8.900000 2.200000   26.91391 3.082595   27.22984   3.527909 -0.3159256 4.684926 
1 1 1  -41    7    6 o 39.62887 1.963413  18.56400 1.242000   19.30000 2.300000   17.70000 2.700000   40.59910 2.473723   38.65864   3.049698 1.940460 3.926826 
1 1 1  -41    7    7 o 23.83096 2.658138  6.831707 1.019512   7.100000 2.200000   6.600000 1.900000   24.19690 3.970112   23.46503   3.535674 0.7318687 5.316275 
1 1 1  -41    7    8 o 42.66200 1.851418  21.35098 1.274510   18.90000 2.500000   23.90000 2.600000   40.12267 2.720758   45.20134   2.511665 -5.078671 3.702835 
1 1 1  -41    7    9 o 65.30217 1.464789  49.29032 1.543548   44.80000 2.900000   54.40000 3.300000   62.14894 2.037530   68.45540   2.104970 -6.306461 2.929578 
1 1 1  -41    7   10 o 45.98154 1.650384  24.53878 1.212245   24.00000 2.200000   25.20000 2.700000   45.48600 2.111955   46.47708   2.536674 -0.9910812 3.300768 
1 1 1  -41    7   11 o 68.78423 1.392658  54.80000 1.550000   57.30000 3.100000   52.30000 3.100000   70.37128 1.923561   67.19718   2.014421 3.174095 2.785315 
1 1 1  -41    7   12 o 12.25430 3.270936  1.215789 0.9394737   2.200000 1.700000   0.000000 2.100000   13.72573 4.595449   10.78287   4.655956 2.942855 6.541872 
1 1 1  -41    7   13 o 17.26603 3.114787  3.740000 0.8742857   3.400000 1.700000   4.100000 1.800000   16.46602 4.416869   18.06604   4.393046 -1.600018 6.229573 
1 1 1  -41    7   14 o 9.284301 2.979519 -0.9615384 0.9743590  -1.400000 1.900000 -0.5000000 2.000000   8.679167 4.021500   9.889435   4.397462 -1.210268 5.959038 
1 1 1  -41    7   15 o 61.21681 1.588725  43.68254 1.574603   42.60000 3.100000   44.80000 3.200000   60.44989 2.239267   61.98373   2.254301 -1.533848 3.177450 
1 1 1  -41    7   16 f 74.23665 1.332108  63.97031 1.598437   64.60000 3.100000   63.30000 3.300000   74.64992 1.813310   73.82338   1.951910 0.8265381 2.664216 
1 1 1  -41    7   17 o 61.29008 1.439727  43.44210 1.403509   41.60000 2.500000   45.80000 3.200000   59.90842 1.822182   62.67173   2.229554 -2.763302 2.879455 
1 1 1  -41    7   18 o 17.89137 3.956217  4.217647 1.270588   4.800000 2.700000   3.700000 2.400000   18.90955 5.735264   16.87320   5.450995 2.036352 7.912434 
1 1 1  -41    7   19 o 18.55968 3.885056  4.570588 1.270588   6.000000 2.700000   3.300000 2.400000   21.05623 5.528580   16.06314   5.459802 4.993093 7.770111 
1 1 1  -41    7   20 o 15.88118 3.350067  2.710638 1.170213   5.800000 2.200000 -0.8000000 2.500000   21.13574 4.669596   10.62662   4.804858 10.50912 6.700134 
1 1 1  -41    7   21 o 13.96380 4.078727  1.550000 1.500000   1.300000 3.000000   1.800000 3.000000   13.66574 5.718436   14.26186   5.817522 -0.5961199 8.157454 
1 1 1  -41    7   22 o 13.64662 3.977902  1.615789 1.421053   2.300000 3.000000   1.000000 2.700000   14.62680 5.870824   12.66645   5.369195 1.960344 7.955805 
1 1 1  -41    9    6 o 9.873137 3.296867 -2.360714 1.398214  -1.300000 2.700000  -3.500000 2.900000   10.40786 4.812415   9.338416   4.507548 1.069441 6.593734 
1 1 1  -41    9    7 o 12.99000 4.010904 0.4727273 1.575758 -0.8000000 4.000000   1.300000 2.600000   13.04468 5.967784   12.93532   5.360500 0.1093578 8.021809 
1 1 1  -41    9    8 o 17.17304 3.383187  3.578723 1.174468   7.000000 2.400000  0.3000000 2.300000   23.08324 4.699720   11.26284   4.867898 11.82040 6.766373 
1 1 1  -41    9    9 o 51.83549 1.702634  31.73509 1.424561   33.70000 2.800000   29.70000 2.900000   53.54684 2.283305   50.12413   2.526335 3.422714 3.405267 
1 1 1  -41    9   10 f 33.61131 2.618067  13.77368 1.421053   15.30000 3.000000   12.40000 2.700000   35.37527 3.703063   31.84735   3.701947 3.527927 5.236134 
1 1 1  -41    9   11 o 10.02216 3.203657 -0.7777778 1.111111 -0.2000000 2.000000  -1.500000 2.500000   10.07529 4.442656   9.969031   4.616978 0.1062584 6.407314 
1 1 1  -41    9   12 o 47.69168 2.212471  27.50149 1.644776   25.80000 3.800000   28.80000 2.900000   46.02266 3.605384   49.36071   2.565408 -3.338047 4.424942 
1 1 1  -41    9   13 o 24.06099 4.313137  7.580883 1.451470   6.500000 2.100000   10.00000 4.700000   22.56188 4.219399   25.56009   7.523914 -2.998203 8.626274 
1 1 1  -41    9   14 o 13.87882 3.832775  2.000000 1.232000   2.000000 2.200000   2.000000 2.800000   13.52872 5.141401   14.22892   5.685654 -0.7001934 7.665551 
1 1 1  -41    9   15 o 16.90949 4.149833  3.771429 1.383929   2.700000 2.500000   5.100000 3.100000   14.88148 5.517353   18.93750   6.200264 -4.056024 8.299666 
1 1 1  -41    9   16 o 11.29895 3.428915 -0.1920000 1.232000   1.700000 2.200000  -2.600000 2.800000   12.90771 5.077006   9.690196   4.610189 3.217515 6.857830 
1 1 1  -40    0    1 o 24.37710 3.197613  7.200000 1.700000   7.200000 1.700000   7.200000 1.700000   24.37710 3.197613   24.37710   3.197613 0.000000 0.000000 
1 1 1  -40    0    2 o 117.1879 1.789478  157.7000 4.800000   157.7000 4.800000   157.7000 4.800000   117.1879 1.789478   117.1879   1.789478 0.000000 0.000000 
1 1 1  -40    0    3 o 71.43670 1.529706  58.60000 2.500000   58.60000 2.500000   58.60000 2.500000   71.43670 1.529706   71.43670   1.529706 0.000000 0.000000 
1 1 1  -40    0    4 o 5.231899 3.518066 -0.5000000 1.200000 -0.5000000 1.200000 -0.5000000 1.200000   5.231899 3.518066   5.231899   3.518066 -0.000000 0.000000 
1 1 1  -40    0    5 o 165.0558 2.223134  312.8000 8.400000   312.8000 8.400000   312.8000 8.400000   165.0558 2.223134   165.0558   2.223134 0.000000 0.000000 
1 1 1  -40    0    6 f 43.54660 1.407155  21.80000 1.400000   21.80000 1.400000   21.80000 1.400000   43.54660 1.407155   43.54660   1.407155 -0.000000 0.000000 
1 1 1  -40    0    7 o 45.33360 1.254340  23.60000 1.300000   23.60000 1.300000   23.60000 1.300000   45.33360 1.254340   45.33360   1.254340 0.000000 0.000000 
1 1 1  -40    0    8 o 134.9346 2.428818  209.1000 7.500000   209.1000 7.500000   209.1000 7.500000   134.9346 2.428818   134.9346   2.428818 -0.000000 0.000000 
1 1 1  -40    0    9 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -40    0   10 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -40    0   11 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -40    0   12 o 80.39461 1.249906  74.10000 2.300000   74.10000 2.300000   74.10000 2.300000   80.39461 1.249906   80.39461   1.249906 -0.000000 0.000000 
1 1 1  -40    0   13 o 76.71304 1.424125  67.50000 2.500000   67.50000 2.500000   67.50000 2.500000   76.71304 1.424125   76.71304   1.424125 0.000000 0.000000 
1 1 1  -40    0   14 f 16.36242 3.668030  3.500000 1.200000   3.500000 1.200000   3.500000 1.200000   16.36242 3.668030   16.36242   3.668030 -0.000000 0.000000 
1 1 1  -40    0   15 o 135.3305 1.872230  210.1000 5.800000   210.1000 5.800000   210.1000 5.800000   135.3305 1.872230   135.3305   1.872230 -0.000000 0.000000 
1 1 1  -40    0   16 o 40.68928 1.832819  19.10000 1.700000   19.10000 1.700000   19.10000 1.700000   40.68928 1.832819   40.68928   1.832819 -0.000000 0.000000 
1 1 1  -40    0   17 o 7.428440 4.629958 0.4000000 1.600000  0.4000000 1.600000  0.4000000 1.600000   7.428440 4.629958   7.428440   4.629958 0.000000 0.000000 
1 1 1  -40    0   18 o 127.3285 1.887086  186.1000 5.500000   186.1000 5.500000   186.1000 5.500000   127.3285 1.887086   127.3285   1.887086 0.000000 0.000000 
1 1 1  -40    0   19 o 47.21557 1.856144  25.70000 2.000000   25.70000 2.000000   25.70000 2.000000   47.21557 1.856144   47.21557   1.856144 -0.000000 0.000000 
1 1 1  -40    0   20 o 6.451763 4.364500 -0.9000000 1.900000 -0.9000000 1.900000 -0.9000000 1.900000   6.451763 4.364500   6.451763   4.364500 -0.000000 0.000000 
1 1 1  -40    0   21 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -40    0   22 o 8.219034 5.146570 0.5000000 2.000000  0.5000000 2.000000  0.5000000 2.000000   8.219034 5.146570   8.219034   5.146570 -0.000000 0.000000 
1 1 1  -40    0   23 o 202.7815 2.865222  475.5000 13.30000   475.5000 13.30000   475.5000 13.30000   202.7815 2.865222   202.7815   2.865222 -0.000000 0.000000 
1 1 1  -40    0   24 o 10.90410 6.113935  2.000000 2.300000   2.000000 2.300000   2.000000 2.300000   10.90410 6.113935   10.90410   6.113935 0.000000 0.000000 
1 1 1  -40    0   25 o 67.78242 1.936182  53.10000 3.000000   53.10000 3.000000   53.10000 3.000000   67.78242 1.936182   67.78242   1.936182 -0.000000 0.000000 
1 1 1  -40    0   26 o 15.81837 7.287345  4.600000 2.900000   4.600000 2.900000   4.600000 2.900000   15.81837 7.287345   15.81837   7.287345 -0.000000 0.000000 
1 1 1  -40    0   27 o 50.26702 2.710903  29.70000 3.100000   29.70000 3.100000   29.70000 3.100000   50.26702 2.710903   50.26702   2.710903 0.000000 0.000000 
1 1 1  -40    2    1 o 59.92446 1.334864  41.68800 1.178000   42.60000 1.900000   40.20000 3.100000   60.88840 1.362570   58.96051   2.295832 1.927895 2.669727 
1 1 1  -40    2    2 o 30.46618 2.192868  9.902326 0.9069767   8.300000 1.300000   13.60000 3.000000   26.83536 2.115318   34.09701   3.841888 -7.261652 4.385735 
1 1 1  -40    2    3 o 53.26301 1.621254  31.93774 1.116981   30.70000 1.600000   34.80000 3.700000   51.71585 1.350940   54.81016   2.947680 -3.094307 3.242508 
1 1 1  -40    2    4 o 66.39452 1.327493  49.55818 1.210909   47.30000 1.800000   54.20000 3.700000   64.21423 1.223999   68.57480   2.356009 -4.360573 2.654986 
1 1 1  -40    2    5 o 89.51738 1.270621  90.67464 1.588732   87.70000 2.400000   96.50000 4.700000   87.45493 1.198303   91.57984   2.240978 -4.124916 2.541243 
1 1 1  -40    2    6 o 82.20988 1.729807  77.72174 2.290217   76.60000 4.300000   79.00000 4.900000   81.60058 2.300991   82.81918   2.583479 -1.218605 3.459613 
1 1 1  -40    2    7 o 124.6579 1.933090  179.1385 3.897436   180.6000 7.600000   177.6000 8.000000   125.2041 2.650542   124.1117   2.814602 1.092422 3.866181 
1 1 1  -40    2    8 f 31.00096 2.177786  11.29524 1.047619   7.200000 2.000000   15.80000 2.200000   24.95456 3.499611   37.04737   2.593015 -12.09281 4.355572 
1 1 1  -40    2    9 o 92.17531 1.710348  97.31373 2.525490   93.30000 4.600000   102.2000 5.600000   90.10523 2.229192   94.24539   2.594583 -4.140160 3.420696 
1 1 1  -40    2   10 o 73.14343 1.673466  61.66329 1.974684   66.60000 3.900000   56.60000 4.000000   76.13195 2.236852   70.15492   2.489669 5.977028 3.346933 
1 1 1  -40    2   11 o 15.90883 3.522535  2.848837 1.027907   1.700000 2.600000   3.600000 1.700000   14.53209 5.573312   17.28557   4.309431 -2.753476 7.045070 
1 1 1  -40    2   12 o 74.70468 1.813840  64.59885 2.167816   59.10000 4.600000   69.50000 4.100000   71.64587 2.803538   77.76350   2.302225 -6.117638 3.627680 
1 1 1  -40    2   13 o 48.00961 2.028776  26.55714 1.571429   26.40000 3.300000   26.70000 3.000000   47.85963 3.010817   48.15960   2.720058 -0.2999725 4.057553 
1 1 1  -40    2   14 o 53.93540 1.620362  33.58000 0.9120000   33.20000 3.800000   33.70000 1.200000   53.64104 3.093329   54.22975  0.9662363 -0.5887070 3.240725 
1 1 1  -40    2   15 o 45.92552 1.500916  24.04048 0.8976190   24.80000 2.900000   23.70000 1.300000   46.38749 2.729838   45.46355   1.248590 0.9239426 3.001831 
1 1 1  -40    2   16 o 105.4320 1.654522  127.4850 2.355140   129.1000 7.200000   126.7000 3.500000   105.7719 2.972364   105.0922   1.454244 0.6796951 3.309045 
1 1 1  -40    2   17 o 51.79777 1.577163  30.30000 1.133333   32.70000 3.400000   29.10000 1.700000   53.23725 2.788708   50.35829   1.474069 2.878960 3.154326 
1 1 1  -40    2   18 o 57.99173 1.429872  38.56538 1.205769   39.20000 3.300000   38.20000 1.900000   58.29641 2.471792   57.68704   1.438186 0.6093674 2.859743 
1 1 1  -40    2   19 o 103.1366 1.407340  122.4468 2.348936   122.6000 4.800000   122.3000 4.600000   103.1884 2.031188   103.0847   1.948513 0.1036835 2.814680 
1 1 1  -40    2   20 o 89.35088 1.332814  91.86753 1.916883   92.40000 4.100000   91.40000 3.600000   89.56474 1.998879   89.13700   1.763535 0.4277420 2.665628 
1 1 1  -40    2   21 o 44.83334 1.453000  23.20000 1.040476   23.20000 2.300000   23.20000 1.900000   44.79954 2.241785   44.86714   1.849119 -0.6760025E-01 2.906001 
1 1 1  -40    2   22 o 76.24957 1.541639  67.40000 1.900000   72.10000 3.800000   62.70000 3.800000   78.94112 2.101939   73.55804   2.255761 5.383080 3.083278 
1 1 1  -40    2   23 o 59.02408 1.569139  40.32333 1.498333   42.70000 3.100000   38.10000 2.900000   60.70218 2.229960   57.34598   2.208181 3.356201 3.138278 
1 1 1  -40    2   24 o 31.68600 2.277021  11.58298 1.131915   14.80000 2.800000   9.400000 1.900000   35.17032 3.476334   28.20168   2.941835 6.968643 4.554041 
1 1 1  -40    2   25 o 42.12267 2.024277  21.08000 1.374545   19.40000 2.800000   22.70000 2.700000   40.38591 3.027387   43.85942   2.688070 -3.473515 4.048554 
1 1 1  -40    2   26 o 10.83061 3.464453 -0.8471698 1.286792  -1.900000 3.100000 -0.1000000 2.200000   10.97338 5.102454   10.68785   4.687717 0.2855320 6.928905 
1 1 1  -40    2   27 f 35.99661 2.671854  16.03226 1.548387   15.00000 3.200000   17.00000 3.000000   34.69418 4.027477   37.29905   3.512071 -2.604866 5.343708 
1 1 1  -40    4    1 o 12.61252 3.618659 0.5565217 0.9739130 -0.6000000 1.400000   3.200000 3.200000   8.080007 3.629721   17.14504   6.261302 -9.065036 7.237319 
1 1 1  -40    4    2 o 74.41499 1.634271  65.43288 1.610959   67.80000 2.400000   60.60000 4.900000   76.78874 1.364751   72.04125   2.969987 4.747490 3.268542 
1 1 1  -40    4    3 o 69.16550 1.688759  53.63803 1.436620   51.30000 2.000000   59.60000 5.100000   66.82750 1.306816   71.50349   3.114459 -4.675995 3.377517 
1 1 1  -40    4    4 o 68.41833 1.750218  54.21667 1.527778   54.40000 2.200000   53.80000 5.000000   68.82402 1.395797   68.01266   3.210110 0.8113632 3.500437 
1 1 1  -40    4    5 o 49.36157 1.827474  28.22500 0.9750000   28.30000 1.300000   28.00000 3.900000   49.67023 1.142844   49.05291   3.471679 0.6173172 3.654948 
1 1 1  -40    4    6 o 71.14378 1.797345  54.66579 1.319737   51.40000 1.700000   66.00000 5.900000   66.94460 1.108851   75.34296   3.419393 -8.398369 3.594690 
1 1 1  -40    4    7 o 29.36446 2.271181  9.813514 0.5675676   9.700000 0.7000000   10.30000 3.000000   29.08575 1.050890   29.64316   4.419127 -0.5574074 4.542362 
1 1 1  -40    4    8 f 13.82806 4.051486 0.2387097 1.548387  -1.600000 3.000000   2.200000 3.200000   11.54917 5.238808   16.10696   6.181671 -4.557791 8.102973 
1 1 1  -40    4    9 o 98.79483 1.937172  113.0122 3.050406   108.6000 6.700000   116.7000 5.600000   96.93835 3.017998   100.6513   2.429452 -3.712975 3.874344 
1 1 1  -40    4   10 o 50.27603 1.810689  28.91864 1.464407   24.80000 2.700000   33.80000 3.200000   46.39458 2.541184   54.15748   2.580069 -7.762901 3.621377 
1 1 1  -40    4   11 o 77.36705 1.935686  68.96082 2.422680   73.60000 5.000000   64.60000 4.700000   79.88984 2.732865   74.84427   2.742073 5.045570 3.871371 
1 1 1  -40    4   12 o 32.61845 3.529963  12.95000 1.750000   16.90000 3.500000   9.000000 3.500000   38.12358 4.008797   27.11331   5.811378 11.01027 7.059927 
1 1 1  -40    4   13 o 60.57426 0.9709331  42.14211 0.9473684   42.90000 1.800000   41.30000 2.000000   61.15707 1.285185   59.99145   1.455728 1.165619 1.941866 
1 1 1  -40    4   14 f 172.3676 1.694832  342.3667 4.714286   342.7000 9.000000   342.0000 9.900000   172.5079 2.278103   172.2273   2.509995 0.2805481 3.389665 
1 1 1  -40    4   15 f 63.04855 1.151994  45.43404 1.161702   43.20000 2.100000   48.20000 2.600000   61.33880 1.494940   64.75829   1.753144 -3.419495 2.303988 
1 1 1  -40    4   16 o 129.6834 1.416621  193.5865 2.974790   192.0000 5.900000   195.2000 6.000000   129.1505 1.994783   130.2164   2.011988 -1.065903 2.833241 
1 1 1  -40    4   17 o 55.26257 1.426407  35.04706 1.270588   40.50000 2.700000   30.20000 2.400000   59.31403 1.987678   51.21112   2.046382 8.102901 2.852813 
1 1 1  -40    4   18 o 94.44653 1.274868  102.5897 1.948718   98.40000 3.800000   107.0000 4.000000   92.47067 1.794400   96.42238   1.811431 -3.951706 2.549736 
1 1 1  -40    4   19 o 58.65192 1.447814  39.69637 1.374545   39.90000 2.800000   39.50000 2.700000   58.79246 2.079582   58.51139   2.014945 0.2810745 2.895628 
1 1 1  -40    4   20 o 63.49769 1.458467  46.40667 1.493333   52.70000 3.200000   40.90000 2.800000   67.51418 2.069640   59.48120   2.055502 8.032974 2.916933 
1 1 1  -40    4   21 o 70.01987 2.160711  57.20000 2.440816   59.80000 5.200000   54.90000 4.600000   71.45748 3.177572   68.58224   2.928774 2.875237 4.321421 
1 1 1  -40    4   22 o 54.71003 1.495555  34.67358 1.320755   33.40000 2.500000   36.10000 2.800000   53.67432 2.033823   55.74573   2.193240 -2.071407 2.991110 
1 1 1  -40    4   23 f 41.32946 2.018864  20.15185 1.348148   20.20000 2.600000   20.10000 2.800000   41.42846 2.740402   41.23046   2.965374 0.1979904 4.037728 
1 1 1  -40    4   24 o 18.98503 3.261217  4.276000 1.248000   8.800000 2.600000  0.1000000 2.400000   26.63160 4.263005   11.33847   4.936491 15.29313 6.522434 
1 1 1  -40    4   25 o 37.30898 2.486330  16.76667 1.493333   14.20000 2.800000   19.70000 3.200000   34.23068 3.571759   40.38729   3.459752 -6.156612 4.972660 
1 1 1  -40    4   26 o 21.24237 4.252674  6.536923 1.578462   7.700000 2.700000   4.900000 3.800000   23.91423 5.086429   18.57051   6.816831 5.343716 8.505348 
1 1 1  -40    6    1 o 12.50812 3.708140 0.3745762 1.210170   1.700000 1.700000  -2.900000 4.200000   12.54843 4.566553   12.46781   5.843612 0.8062077E-01 7.416280 
1 1 1  -40    6    2 f 29.01651 3.778201  10.80000 1.187097   10.80000 1.600000   10.80000 4.600000   30.41043 2.297403   27.62259   7.198692 2.787838 7.556403 
1 1 1  -40    6    3 o 25.69571 3.819410  9.161016 1.210170   10.40000 1.700000   6.100000 4.200000   29.86413 2.485643   21.52729   7.223097 8.336842 7.638819 
1 1 1  -40    6    4 o 25.05400 2.479831  7.563158 0.9473684   5.100000 1.800000   10.30000 2.000000   20.41112 3.993770   29.69687   2.940756 -9.285753 4.959661 
1 1 1  -40    6    5 o 31.72622 1.966379  12.06316 0.9473684   17.80000 2.000000   6.900000 1.800000   39.20052 2.227808   24.25192   3.240904 14.94861 3.932758 
1 1 1  -40    6    6 o 32.51213 2.005116  12.57317 1.024390   15.50000 2.000000   9.500000 2.100000   36.55499 2.389038   28.46928   3.220939 8.085712 4.010231 
1 1 1  -40    6    7 o 18.51086 3.674437  4.269388 1.163265   5.200000 1.900000   2.800000 3.000000   20.60932 4.168797   16.41239   6.052031 4.196926 7.348874 
1 1 1  -40    6    8 o 46.48301 1.298063  24.87692 0.9692307   24.60000 1.800000   25.20000 2.100000   46.22392 1.700378   46.74211   1.961782 -0.5181923 2.596127 
1 1 1  -40    6    9 f 16.99139 2.937358  3.415151 0.8060606   2.100000 1.400000   5.200000 1.900000   13.34031 4.145279   20.64246   4.162807 -7.302141 5.874717 
1 1 1  -40    6   10 o 37.22307 1.631337  16.07436 0.9743590   13.20000 1.900000   19.10000 2.000000   33.77139 2.456656   40.67476   2.147063 -6.903374 3.262674 
1 1 1  -40    6   11 f 57.26356 1.452885  38.10755 1.301887   39.80000 2.300000   35.90000 3.000000   58.80491 1.707867   55.72221   2.350892 3.082695 2.905770 
1 1 1  -40    6   12 o 16.40242 2.977928  3.190625 0.7718750   2.500000 1.300000   4.200000 1.900000   14.34239 3.868866   18.46244   4.528145 -4.120043 5.955856 
1 1 1  -40    6   13 o 52.52104 1.298308  31.59545 1.079545   30.30000 1.900000   33.30000 2.500000   51.31786 1.616683   53.72422   2.031934 -2.406361 2.596617 
1 1 1  -40    6   14 o 44.38187 1.535051  22.80000 1.100000   20.80000 2.200000   24.80000 2.200000   42.41415 2.264914   46.34959   2.072605 -3.935444 3.070102 
1 1 1  -40    6   15 o 116.4904 1.458068  156.7500 2.750000   153.3000 5.500000   160.2000 5.500000   115.1972 2.084782   117.7836   2.039002 -2.586411 2.916135 
1 1 1  -40    6   16 o 72.12125 1.314534  59.76229 1.491803   58.10000 2.600000   62.00000 3.500000   71.02384 1.598486   73.21867   2.087305 -2.194824 2.629069 
1 1 1  -40    6   17 o 20.74179 3.442171  5.421277 1.148936   6.400000 2.000000   4.100000 2.700000   23.26334 3.754030   18.22024   5.770740 5.043098 6.884343 
1 1 1  -40    6   18 o 87.18645 1.327715  87.64400 1.872000   83.90000 3.600000   91.70000 3.900000   85.26184 1.843688   89.11106   1.911053 -3.849220 2.655430 
1 1 1  -40    6   19 o 11.94581 3.341835 0.9846154 0.9692307  0.2000000 1.800000   1.900000 2.100000   10.28814 4.373478   13.60348   5.054119 -3.315349 6.683669 
1 1 1  -40    6   20 o 79.08752 1.444983  72.74595 1.848649   72.90000 3.800000   72.60000 3.600000   79.13670 2.096744   79.03835   1.988861 0.9835052E-01 2.889966 
1 1 1  -40    6   21 o 40.01314 1.890429  18.84082 1.224490   18.40000 2.400000   19.30000 2.500000   39.54497 2.650085   40.48131   2.696653 -0.9363441 3.780858 
1 1 1  -40    6   22 o 22.50909 3.390107  6.636734 1.224490   4.800000 2.500000   8.400000 2.400000   18.89056 5.466563   26.12763   4.010984 -7.237070 6.780214 
1 1 1  -40    6   23 o 14.70501 4.020459  2.261818 1.374545   2.900000 2.700000   1.600000 2.800000   15.57411 5.741680   13.83591   5.629341 1.738201 8.040918 
1 1 1  -40    6   24 o 18.59803 4.060108  4.700000 1.303704   3.600000 2.200000   6.300000 3.200000   16.35888 5.212048   20.83718   6.226753 -4.478296 8.120215 
1 1 1  -40    8    1 o 17.57566 3.945961  4.277778 1.283333   4.900000 2.100000   3.300000 3.300000   19.02987 4.814841   16.12145   6.252978 2.908422 7.891922 
1 1 1  -40    8    2 o 17.04289 4.204386  3.726316 1.350877   2.800000 2.200000   5.200000 3.500000   14.92603 5.220847   19.15975   6.591676 -4.233724 8.408772 
1 1 1  -40    8    3 o 19.85587 4.641691  5.357534 1.673972   5.500000 2.600000   5.100000 4.700000   20.18926 5.482047   19.52248   7.491885 0.6667805 9.283382 
1 1 1  -40    8    4 o 30.52901 2.583569  11.32941 1.274510   10.30000 2.500000   12.40000 2.600000   29.06382 3.756013   31.99420   3.548475 -2.930382 5.167137 
1 1 1  -40    8    5 o 27.21563 3.327832  9.760000 1.374545   13.00000 2.700000   6.400000 2.800000   32.71892 3.603334   21.71233   5.595878 11.00659 6.655664 
1 1 1  -40    8    6 o 16.69446 3.679523  3.352174 1.115217   1.700000 1.900000   5.700000 2.700000   12.77617 4.795420   20.61275   5.582069 -7.836582 7.359046 
1 1 1  -40    8    7 o 45.25116 1.774363  24.00000 1.300000   23.50000 2.600000   24.50000 2.600000   44.76868 2.535939   45.73364   2.482432 -0.9649620 3.548725 
1 1 1  -40    8    8 o 18.34687 3.030171  3.934884 1.069767   8.000000 2.300000  0.4000000 2.000000   25.71985 3.904803   10.97389   4.634681 14.74596 6.060343 
1 1 1  -40    8    9 o 36.92104 2.046039  15.97143 1.212245   14.40000 2.200000   17.90000 2.700000   34.97015 2.747040   38.87193   3.032965 -3.901775 4.092078 
1 1 1  -40    8   10 o 54.45132 1.615413  34.54211 1.421053   32.60000 2.700000   36.70000 3.000000   52.86383 2.230205   56.03881   2.337610 -3.174980 3.230826 
1 1 1  -40    8   11 o 41.03286 1.784751  19.82340 1.174468   16.30000 2.300000   23.50000 2.400000   37.22243 2.698129   44.84328   2.336973 -7.620842 3.569502 
1 1 1  -40    8   12 f 27.81366 2.563490  9.317391 1.147826   8.900000 2.400000   9.700000 2.200000   27.12622 3.863328   28.50109   3.370552 -1.374865 5.126980 
1 1 1  -40    8   13 o 32.79458 2.182300  12.98889 1.111111   14.50000 2.000000   11.10000 2.500000   35.18081 2.482355   30.40835   3.589938 4.772457 4.364601 
1 1 1  -40    8   14 o 44.18100 1.867049  23.04340 1.320755   21.30000 2.800000   24.60000 2.500000   42.48713 2.877666   45.87487   2.379605 -3.387741 3.734097 
1 1 1  -40    8   15 o 31.47270 2.436108  11.91633 1.212245   12.50000 2.200000   11.20000 2.700000   32.51334 2.954615   30.43206   3.874111 2.081274 4.872216 
1 1 1  -40    8   16 o 42.21500 3.391031  22.66744 1.953488   21.30000 5.600000   23.40000 3.000000   40.04594 6.106175   44.38406   2.951440 -4.338120 6.782063 
1 1 1  -40    8   17 o 59.92731 1.596335  41.96613 1.543548   39.30000 2.900000   45.00000 3.300000   57.94266 2.185442   61.91197   2.327443 -3.969311 3.192671 
1 1 1  -40    8   18 o 19.68435 3.764386  5.127119 1.454237   8.300000 2.600000   1.100000 3.300000   25.40284 4.640199   13.96585   5.928824 11.43699 7.528771 
1 1 1  -40    8   19 f 31.62172 2.663087  12.06667 1.333333   8.600000 2.400000   16.40000 3.000000   26.46222 3.960269   36.78122   3.561515 -10.31900 5.326173 
1 1 1  -40    8   20 o 16.82578 3.967067  3.752941 1.270588   3.000000 2.400000   4.600000 2.700000   15.38266 5.446833   18.26889   5.769098 -2.886222 7.934134 
1 1 1  -40    8   21 o 56.27711 1.836440  37.60746 1.665672   34.60000 3.100000   41.10000 3.600000   53.93064 2.509954   58.62358   2.681451 -4.692944 3.672880 
1 1 1  -40   10   10 o 19.76219 3.733492  5.450000 1.250000   4.000000 2.500000   6.900000 2.500000   16.97568 5.568490   22.54870   4.974713 -5.573015 7.466984 
1 1 1  -40   10   11 o 12.05691 3.717021 0.2719299 1.371930   1.200000 2.300000  -1.100000 3.400000   12.28672 5.062147   11.82709   5.444231 0.4596224 7.434042 
1 1 1  -40   10   12 o 24.87782 3.763334  8.472881 1.464407   7.100000 2.700000   10.10000 3.200000   22.64742 5.299727   27.10822   5.344493 -4.460791 7.526667 
1 1 1  -39    1    1 f 51.17307 1.422624  30.33778 1.031111   30.80000 1.600000   29.50000 2.900000   51.80045 1.348733   50.54569   2.505265 1.254761 2.845247 
1 1 1  -39    1    2 o 30.98191 1.913169  11.37778 0.8305556   12.10000 1.300000   10.10000 2.300000   32.45237 1.749189   29.51146   3.403116 2.940905 3.826338 
1 1 1  -39    1    3 o 90.22093 1.331435  93.36000 1.728000   93.00000 2.700000   94.00000 4.800000   90.05269 1.309202   90.38918   2.318807 -0.3364868 2.662870 
1 1 1  -39    1    4 o 95.32633 1.299272  105.5597 1.807792   109.1000 2.900000   99.70000 4.800000   97.54114 1.298225   93.11153   2.251010 4.429611 2.598545 
1 1 1  -39    1    5 o 57.74510 1.243482  39.13721 0.9441860   40.70000 1.400000   35.90000 2.900000   59.59689 1.025756   55.89331   2.265572 3.703575 2.486964 
1 1 1  -39    1    6 o 68.64322 1.385206  52.46842 1.105263   50.60000 1.500000   57.70000 4.200000   66.45433 0.9856158   70.83211   2.589159 -4.377777 2.770412 
1 1 1  -39    1    7 o 109.2396 1.625240  137.0765 2.874783   134.4000 5.700000   139.8000 5.800000   108.1635 2.301092   110.3158   2.295779 -2.152359 3.250481 
1 1 1  -39    1    8 o 82.25211 1.649253  78.34418 2.093023   81.40000 3.600000   74.10000 5.000000   84.22968 1.866281   80.27453   2.719769 3.955154 3.298506 
1 1 1  -39    1    9 o 99.02182 1.683651  112.5259 2.696296   109.3000 5.200000   116.0000 5.600000   97.55592 2.327498   100.4877   2.433407 -2.931793 3.367301 
1 1 1  -39    1   10 o 52.91253 1.458461  32.08800 1.248000   30.60000 2.400000   33.70000 2.600000   51.63819 2.029458   54.18687   2.095169 -2.548676 2.916921 
1 1 1  -39    1   11 o 120.5811 1.957757  166.6647 3.811765   154.9000 7.200000   179.9000 8.100000   116.0833 2.708336   125.0788   2.827749 -8.995575 3.915514 
1 1 1  -39    1   12 o 116.6814 1.935017  156.7000 3.650000   167.2000 7.300000   146.2000 7.300000   120.6108 2.642873   112.7520   2.827081 7.858818 3.870034 
1 1 1  -39    1   13 o 47.24292 1.224863  25.50588 0.6617647   25.80000 2.500000   25.40000 0.9000000   47.39708 2.303181   47.08875  0.8345743 0.3083344 2.449726 
1 1 1  -39    1   14 o 45.12760 1.576152  23.90976 0.8048781   22.30000 3.000000   24.50000 1.100000   44.01411 2.976248   46.24109   1.038734 -2.226978 3.152303 
1 1 1  -39    1   15 o 64.88802 1.682346  48.30000 2.500000   48.30000 2.500000          ?        ?   64.88802 1.682346          ?          ?       ?       ? 
1 1 1  -39    1   16 o 166.9636 1.674579  319.9669 4.508287   328.4000 9.600000   312.5000 8.500000   169.0049 2.480342   164.9223   2.250501 4.082657 3.349157 
1 1 1  -39    1   17 o 33.05217 1.821715  12.50000 0.9692307   14.60000 2.100000   10.70000 1.800000   35.61509 2.574690   30.48925   2.577897 5.125845 3.643429 
1 1 1  -39    1   18 o 56.61286 1.227086  36.78444 1.124444   37.50000 2.300000   36.10000 2.200000   57.14944 1.757339   56.07628   1.713102 1.073166 2.454172 
1 1 1  -39    1   19 o 53.05688 1.339184  32.33478 1.147826   32.70000 2.400000   32.00000 2.200000   53.33671 1.964829   52.77705   1.820192 0.5596542 2.678368 
1 1 1  -39    1   20 o 92.37248 1.528492  97.88000 2.160000   100.4000 5.400000   96.20000 3.600000   93.25859 2.528393   91.48638   1.718248 1.772209 3.056983 
1 1 1  -39    1   21 o 75.83189 1.580278  66.37013 1.898701   66.90000 3.400000   65.70000 4.300000   76.23733 1.947381   75.42645   2.489342 0.8108749 3.160556 
1 1 1  -39    1   22 o 111.0276 1.419925  142.2471 2.546078   143.4000 4.900000   141.0000 5.300000   111.5317 1.918393   110.5235   2.093924 1.008163 2.839850 
1 1 1  -39    1   23 o 93.95451 1.232969  101.7640 1.872000   102.7000 3.900000   100.9000 3.600000   94.34612 1.805013   93.56289   1.680113 0.7832336 2.465938 
1 1 1  -39    1   24 o 65.01096 1.600488  49.01045 1.656716   48.90000 3.700000   49.10000 3.000000   64.85987 2.490952   65.16203   2.010325 -0.3021622 3.200976 
1 1 1  -39    1   25 o 29.32663 2.707642  10.44118 1.270588   9.700000 2.700000   11.10000 2.400000   28.19061 4.182144   30.46264   3.440198 -2.272032 5.415283 
1 1 1  -39    1   26 o 61.95702 1.724102  45.20869 1.721739   46.50000 3.300000   43.80000 3.600000   62.98081 2.287944   60.93324   2.579811 2.047565 3.448204 
1 1 1  -39    1   27 o 26.73953 2.988719  8.944000 1.232000   8.900000 2.200000   9.000000 2.800000   27.10822 3.543737   26.37085   4.813698 0.7373714 5.977437 
1 1 1  -39    1   28 o 67.16910 1.797362  53.76410 1.948718   56.20000 3.800000   51.20000 4.000000   68.86112 2.409624   65.47707   2.667537 3.384048 3.594724 
1 1 1  -39    3    1 o 55.15438 1.604611  34.47636 1.210909   33.20000 1.800000   37.10000 3.700000   53.75454 1.462167   56.55423   2.856777 -2.799690 3.209223 
1 1 1  -39    3    2 o 77.11705 1.630905  70.70000 1.666667   74.70000 2.500000   62.70000 5.000000   80.66998 1.353218   73.56411   2.967862 7.105873 3.261810 
1 1 1  -39    3    3 o 77.08536 1.447913  67.86667 1.533333   66.80000 2.300000   70.00000 4.600000   76.29845 1.316291   77.87226   2.579377 -1.573814 2.895826 
1 1 1  -39    3    4 o 12.77153 3.302601 0.4102564 0.7435898  -1.000000 1.000000   4.500000 2.900000   6.109209 2.859542   19.43384   5.954134 -13.32463 6.605202 
1 1 1  -39    3    5 o 127.1492 1.723268  182.5265 2.976471   175.7000 4.400000   196.8000 9.200000   123.7406 1.552673   130.5577   3.076982 -6.817116 3.446536 
1 1 1  -39    3    6 o 130.6496 1.730314  193.7364 3.309091   186.1000 5.200000   207.1000 9.100000   127.3130 1.783489   133.9863   2.965657 -6.673271 3.460629 
1 1 1  -39    3    7 o 63.45382 1.640663  46.50448 1.671642   49.80000 3.200000   42.90000 3.500000   65.83900 2.122298   61.06864   2.502589 4.770367 3.281326 
1 1 1  -39    3    8 o 93.89175 1.811108  101.4582 2.746364   99.80000 5.700000   103.0000 5.300000   93.13251 2.672472   94.65100   2.445065 -1.518486 3.622216 
1 1 1  -39    3    9 o 15.24092 3.541113  2.218182 1.090909  0.4000000 2.000000   4.400000 2.400000   11.34580 4.701603   19.13604   5.296496 -7.790243 7.082227 
1 1 1  -39    3   10 o 17.69103 3.737229  3.597959 1.220408   5.100000 2.300000   1.900000 2.600000   20.53794 4.948498   14.84412   5.601776 5.693816 7.474458 
1 1 1  -39    3   11 o 70.41261 1.627483  57.00270 1.848649   64.50000 3.800000   49.90000 3.600000   74.93312 2.214366   65.89211   2.385661 9.041008 3.254965 
1 1 1  -39    3   12 o 64.18658 2.014610  47.72892 2.067470   51.30000 3.900000   43.70000 4.400000   66.79183 2.549652   61.58134   3.119918 5.210487 4.029220 
1 1 1  -39    3   13 f 88.74218 1.372335  87.99189 1.504054   96.30000 5.300000   84.70000 2.100000   91.51136 2.528952   85.97300   1.066589 5.538361 2.744669 
1 1 1  -39    3   14 o 60.74027 1.520556  43.64182 1.210909   39.00000 3.700000   45.90000 1.800000   58.20223 2.775887   63.27832   1.242102 -5.076088 3.041113 
1 1 1  -39    3   15 o 146.3235 1.754211  244.5185 3.777778   253.9000 10.20000   239.0000 6.000000   148.3673 3.001937   144.2796   1.815875 4.087677 3.508422 
1 1 1  -39    3   16 o 56.13422 1.520227  36.81923 1.176923   34.40000 3.400000   38.10000 1.800000   54.63279 2.717473   57.63565   1.363707 -3.002861 3.040453 
1 1 1  -39    3   17 o 117.2867 1.598302  158.6872 2.719658   156.6000 7.400000   159.9000 4.300000   116.5384 2.772696   118.0349   1.590735 -1.496460 3.196605 
1 1 1  -39    3   18 o 87.36561 1.593902  87.54186 1.922093   89.00000 5.700000   86.80000 2.900000   87.76880 2.835792   86.96242   1.456150 0.8063812 3.187803 
1 1 1  -39    3   19 o 78.23416 1.242991  70.26666 1.571429   73.20000 3.300000   67.60000 3.000000   79.78168 1.806136   76.68664   1.708210 3.095047 2.485982 
1 1 1  -39    3   20 f 71.61535 1.362776  58.86667 1.555556   60.70000 3.500000   57.40000 2.800000   72.57967 2.105682   70.65102   1.730531 1.928650 2.725552 
1 1 1  -39    3   21 o 29.30781 3.457252  10.19180 1.344262   11.20000 4.100000   9.700000 2.000000   29.75435 6.217258   28.86127   3.025898 0.8930855 6.914504 
1 1 1  -39    3   22 o 155.9908 1.732977  282.3006 4.363429   287.4000 9.200000   277.7000 8.300000   157.2364 2.554903   154.7452   2.342074 2.491165 3.465954 
1 1 1  -39    3   23 o 83.14186 1.506298  80.23671 1.883544   81.10000 3.100000   78.90000 4.800000   83.90103 1.613370   82.38270   2.544163 1.518333 3.012595 
1 1 1  -39    3   24 o 37.99556 2.046909  16.93000 1.218000   16.30000 2.100000   17.80000 2.900000   37.31790 2.457207   38.67323   3.274366 -1.355331 4.093817 
1 1 1  -39    3   25 o 12.85675 3.425481 0.5057692 1.205769   3.100000 1.900000  -4.000000 3.300000   15.60120 4.826030   10.11231   4.862624 5.488888 6.850962 
1 1 1  -39    3   26 o 19.30146 3.370683  4.932693 1.251923   7.800000 2.100000  0.7000000 3.100000   25.35128 3.617088   13.25163   5.688822 12.09965 6.741366 
1 1 1  -39    3   27 f 29.39676 3.613813  12.07705 1.432787   14.00000 2.300000   8.900000 3.800000   34.17020 2.939138   24.62332   6.603034 9.546885 7.227627 
1 1 1  -39    5    1 o 62.76427 1.883819  42.50822 1.405479   38.50000 1.900000   53.90000 5.400000   57.84953 1.434147   67.67902   3.484010 -9.829491 3.767639 
1 1 1  -39    5    2 o 71.71741 1.841109  60.04430 1.670886   60.50000 2.400000   59.00000 5.500000   72.52493 1.444986   70.90987   3.386848 1.615059 3.682217 
1 1 1  -39    5    3 o 57.69830 1.709940  37.93000 1.260000   37.00000 1.800000   40.10000 4.200000   56.74410 1.385133   58.65250   3.126817 -1.908398 3.419880 
1 1 1  -39    5    4 o 26.32094 3.392992  8.325490 0.9686274   8.300000 1.300000   8.400000 3.800000   26.83329 2.115481   25.80860   6.447815 1.024694 6.785984 
1 1 1  -39    5    5 o 48.80431 1.872629  26.04822 1.098214   24.20000 1.500000   31.10000 4.100000   45.90904 1.426700   51.69959   3.462872 -5.790546 3.745258 
1 1 1  -39    5    6 o 18.74007 2.713746  5.290244 0.8048781   8.000000 1.100000  -2.100000 3.000000   26.37443 1.821165   11.10570   5.112829 15.26873 5.427491 
1 1 1  -39    5    7 o 125.9719 1.365185  182.2775 2.747748   179.8000 5.000000   185.3000 6.100000   125.0752 1.745575   126.8686   2.099498 -1.793350 2.730371 
1 1 1  -39    5    8 o 26.32929 1.893593  8.440001 0.7466667   11.10000 1.400000   5.400000 1.600000   31.06795 1.967683   21.59064   3.235893 9.477303 3.787186 
1 1 1  -39    5    9 o 87.77469 1.547704  88.61818 2.198864   92.30000 4.500000   85.10000 4.300000   89.55558 2.194116   85.99380   2.183439 3.561783 3.095408 
1 1 1  -39    5   10 o 51.86069 1.287837  30.87675 1.060465   30.70000 1.900000   31.10000 2.400000   51.71217 1.604355   52.00922   2.014980 -0.2970505 2.575674 
1 1 1  -39    5   11 o 33.88491 1.497726  12.93333 0.8060606   10.60000 1.400000   16.10000 1.900000   30.36426 2.013284   37.40556   2.217977 -7.041300 2.995452 
1 1 1  -39    5   12 o 68.48991 1.216389  53.65741 1.342593   50.00000 2.500000   57.90000 2.900000   65.98707 1.654325   70.99274   1.783708 -5.005676 2.432777 
1 1 1  -39    5   13 o 75.54156 1.266850  65.50967 1.548387   68.40000 3.200000   62.80000 3.000000   77.15161 1.811109   73.93152   1.771868 3.220093 2.533700 
1 1 1  -39    5   14 o 110.6803 1.480057  140.9094 2.641509   139.4000 5.000000   142.6000 5.600000   110.0813 1.983335   111.2794   2.197420 -1.198036 2.960114 
1 1 1  -39    5   15 o 113.2479 1.485940  147.6312 2.722936   145.2000 5.300000   150.2000 5.600000   112.3017 2.060769   114.1942   2.141331 -1.892509 2.971879 
1 1 1  -39    5   16 o 12.56298 3.261549  1.488571 0.8742857   1.900000 1.800000   1.100000 1.700000   13.43108 4.721057   11.69489   4.501382 1.736187 6.523099 
1 1 1  -39    5   17 o 42.07495 1.467658  20.36500 0.9974999   19.70000 1.900000   21.10000 2.100000   41.36123 2.005857   42.78867   2.143039 -1.427444 2.935316 
1 1 1  -39    5   18 o 43.52457 1.676475  21.99362 1.174468   24.00000 2.300000   19.90000 2.400000   45.59014 2.202909   41.45900   2.527739 4.131138 3.352950 
1 1 1  -39    5   19 o 58.71053 1.373527  39.89231 1.298077   42.20000 2.500000   37.40000 2.700000   60.51226 1.803999   56.90878   2.071687 3.603481 2.747053 
1 1 1  -39    5   20 o 53.01854 1.843693  33.15807 1.535484   29.10000 3.400000   36.50000 2.800000   49.89218 2.975679   56.14491   2.177646 -6.252724 3.687386 
1 1 1  -39    5   21 o 93.14645 1.295183  100.0231 1.938461   98.50000 3.600000   101.8000 4.200000   92.42997 1.700706   93.86292   1.953866 -1.432953 2.590366 
1 1 1  -39    5   22 o 15.80434 4.379315  2.380000 1.560000   1.500000 2.600000   3.700000 3.900000   13.64419 5.469320   17.96449   6.841063 -4.320294 8.758631 
1 1 1  -39    5   23 f 13.37255 3.587710  1.100000 1.197917  -1.200000 2.300000   3.600000 2.500000   9.883989 4.523086   16.86112   5.570310 -6.977131 7.175420 
1 1 1  -39    5   24 o 38.95988 2.100332  18.08491 1.324528   17.30000 2.600000   18.90000 2.700000   38.09330 2.980330   39.82646   2.960273 -1.733158 4.200665 
1 1 1  -39    5   25 o 42.15605 2.462349  21.57314 1.674627   23.10000 3.300000   20.00000 3.400000   43.79771 3.290048   40.51438   3.664455 3.283333 4.924698 
1 1 1  -39    5   26 o 21.70975 4.328569  6.860000 1.621538   5.000000 3.100000   8.900000 3.400000   18.58019 6.205683   24.83931   6.036186 -6.259121 8.657138 
1 1 1  -39    7    1 o 35.78543 3.062075  15.47429 1.634286   14.10000 2.600000   17.80000 4.400000   34.26971 3.312856   37.30114   5.150747 -3.031429 6.124150 
1 1 1  -39    7    2 o 45.01379 2.021561  23.76780 1.464407   21.80000 2.700000   26.10000 3.200000   43.04306 2.739053   46.98451   2.973959 -3.941452 4.043123 
1 1 1  -39    7    3 o 29.04551 2.682364  10.15600 1.232000   10.20000 2.200000   10.10000 2.800000   29.29462 3.279250   28.79639   4.245801 0.4982224 5.364728 
1 1 1  -39    7    4 o 36.43347 2.187477  15.68824 1.274510   12.60000 2.500000   18.90000 2.600000   32.67645 3.340756   40.19049   2.824813 -7.514038 4.374954 
1 1 1  -39    7    5 o 38.87694 2.138723  17.29074 1.320370   13.50000 2.300000   22.40000 3.100000   33.99959 2.953887   43.75429   3.093718 -9.754700 4.277445 
1 1 1  -39    7    6 o 51.10759 1.672737  30.24909 1.352727   29.90000 2.400000   30.70000 3.100000   50.84936 2.060941   51.36581   2.635283 -0.5164566 3.345473 
1 1 1  -39    7    7 o 43.30040 1.603140  20.97111 1.057778   18.10000 1.700000   25.70000 2.800000   39.59569 1.874739   47.00511   2.601074 -7.409416 3.206280 
1 1 1  -39    7    8 o 35.63248 2.001020  14.83043 1.147826   15.50000 2.200000   14.10000 2.400000   36.51714 2.630665   34.74783   3.015944 1.769318 4.002039 
1 1 1  -39    7    9 o 23.66554 2.693705  6.645000 0.9900000   8.900000 2.200000   4.800000 1.800000   27.53632 3.488643   19.79477   4.105309 7.741549 5.387410 
1 1 1  -39    7   10 o 35.32381 2.010709  14.49130 1.147826   13.20000 2.200000   15.90000 2.400000   33.67981 2.852284   36.96780   2.834832 -3.287991 4.021417 
1 1 1  -39    7   11 o 26.62169 2.389518  8.314634 1.019512   8.500000 1.900000   8.100000 2.200000   26.99347 3.073510   26.24991   3.659608 0.7435608 4.779037 
1 1 1  -39    7   12 o 29.30655 2.077749  9.984615 0.9692307   7.400000 1.800000   13.00000 2.100000   25.17333 3.122278   33.43977   2.742179 -8.266439 4.155498 
1 1 1  -39    7   13 o 14.26967 3.196295  2.100000 0.9589744   3.800000 1.700000 -0.1000000 2.200000   17.54494 4.271078   10.99440   4.756374 6.550547 6.392589 
1 1 1  -39    7   14 o 18.76989 3.424806  4.409523 1.047619   4.600000 2.000000   4.200000 2.200000   19.21787 4.604629   18.32191   5.070955 0.8959694 6.849613 
1 1 1  -39    7   15 o 19.72834 3.116811  4.906818 1.097727   8.200000 2.100000   1.300000 2.300000   26.38675 3.475147   13.06994   5.175075 13.31680 6.233622 
1 1 1  -39    7   16 o 42.76047 1.912765  21.23207 1.320755   20.10000 2.500000   22.50000 2.800000   41.57504 2.625712   43.94590   2.782143 -2.370861 3.825530 
1 1 1  -39    7   17 o 43.87039 1.688311  22.13750 1.181250   20.30000 2.100000   24.50000 2.700000   41.85750 2.190714   45.88327   2.569503 -4.025772 3.376621 
1 1 1  -39    7   18 o 54.65965 1.700664  34.78500 1.485000   34.20000 2.700000   35.50000 3.300000   54.24118 2.173574   55.07813   2.616221 -0.8369484 3.401329 
1 1 1  -39    7   19 o 79.37736 1.440769  73.09730 1.837838   70.80000 3.400000   75.80000 4.000000   78.10256 1.900874   80.65215   2.165627 -2.549591 2.881538 
1 1 1  -39    7   20 o 10.27260 3.259875 -0.6466666 1.120000 -0.7000000 2.400000 -0.6000000 2.100000   10.57803 4.752119   9.967164   4.463688 0.6108694 6.519751 
1 1 1  -39    7   21 o 51.72251 1.789595  31.42667 1.493333   29.00000 2.800000   34.20000 3.200000   49.63027 2.463492   53.81475   2.596500 -4.184486 3.579191 
1 1 1  -39    7   22 o 57.82770 1.794262  39.37910 1.671642   33.60000 3.200000   45.70000 3.500000   53.33543 2.619834   62.31997   2.452339 -8.984531 3.588524 
1 1 1  -39    7   23 o 42.05685 2.202106  21.27333 1.493333   20.20000 2.800000   22.50000 3.200000   41.01224 2.981153   43.10147   3.241885 -2.089233 4.404213 
1 1 1  -39    9    2 o 22.76188 3.790102  7.190909 1.374545   6.700000 2.700000   7.700000 2.800000   21.90858 5.412843   23.61519   5.306658 -1.706615 7.580204 
1 1 1  -39    9    3 o 15.28459 3.977740  2.616364 1.374545  0.8000000 2.700000   4.500000 2.800000   12.54530 5.345239   18.02389   5.892206 -5.478585 7.955481 
1 1 1  -39    9    4 f 19.46150 3.627995  4.827272 1.374545  0.9000000 2.700000   8.900000 2.800000   12.78408 5.391332   26.13893   4.856225 -13.35485 7.255990 
1 1 1  -39    9    5 o 30.19110 3.092719  11.38667 1.493333   11.90000 2.800000   10.80000 3.200000   31.15974 3.923773   29.22247   4.781594 1.937265 6.185438 
1 1 1  -39    9    6 o 13.58359 3.843891  1.515385 1.292308  0.5000000 2.400000   2.700000 2.800000   11.80782 5.035483   15.35936   5.809123 -3.551543 7.687782 
1 1 1  -39    9    7 o 13.08327 3.824202 -0.7906665 1.554667   2.700000 2.200000  -9.200000 5.300000   14.85331 5.219417   11.31324   5.590685 3.540068 7.648404 
1 1 1  -39    9    8 o 12.34790 4.069927 -1.457895 1.740790  -1.200000 4.900000  -1.600000 2.700000   14.33322 6.574827   10.36257   4.798840 3.970648 8.139853 
1 1 1  -39    9    9 o 24.46899 4.262659  7.964705 1.647059   11.20000 4.000000   5.700000 2.800000   28.45567 6.304034   20.48232   5.739355 7.973345 8.525317 
1 1 1  -39    9   10 o 18.45043 4.393660  2.919719 1.588732   10.40000 4.700000 -0.9000000 2.400000   26.56642 7.432966   10.33444   4.687004 16.23198 8.787320 
1 1 1  -39    9   11 o 30.98600 4.218112  12.59367 1.744304   12.10000 2.600000   13.60000 5.300000   31.63834 3.588388   30.33366   7.635008 1.304678 8.436224 
1 1 1  -39    9   12 o 28.49116 2.826355  9.963462 1.298077   10.30000 2.500000   9.600000 2.700000   29.10416 3.750806   27.87815   4.229018 1.226013 5.652710 
1 1 1  -39    9   13 o 40.15819 2.327273  19.42500 1.498333   15.80000 2.900000   23.30000 3.100000   36.14579 3.503321   44.17059   3.064560 -8.024803 4.654545 
1 1 1  -39    9   14 o 34.43991 2.693165  14.50667 1.498333   14.70000 2.900000   14.30000 3.100000   34.77092 3.641846   34.10891   3.968565 0.6620064 5.386331 
1 1 1  -39    9   15 o 51.18852 2.015457  31.32727 1.636364   33.10000 3.000000   29.20000 3.600000   53.02234 2.470598   49.35471   3.185031 3.667633 4.030915 
1 1 1  -39    9   16 o 18.94854 4.261475  4.864407 1.471186   4.200000 2.800000   5.600000 3.100000   17.76984 5.896242   20.12724   6.154268 -2.357405 8.522950 
1 1 1  -39    9   17 o 37.64118 2.380131  17.45000 1.398214   13.10000 2.900000   21.50000 2.700000   32.70304 3.872128   42.57933   2.768883 -9.876293 4.760261 
1 1 1  -39    9   18 o 43.02446 2.296577  22.33594 1.598437   21.90000 3.100000   22.80000 3.300000   42.64075 3.174509   43.40816   3.319573 -0.7674103 4.593154 
1 1 1  -39    9   19 o 11.10083 3.564673 -1.379310 1.448276  -3.600000 2.800000   1.000000 3.000000   9.087953 4.396888   13.11370   5.612037 -4.025751 7.129347 
1 1 1  -38    0    1 o 8.416875 5.458194 -0.1000000 2.500000 -0.1000000 2.500000 -0.1000000 2.500000   8.416875 5.458194   8.416875   5.458194 0.000000 0.000000 
1 1 1  -38    0    2 o 50.82097 1.636332  29.70000 1.900000   29.70000 1.900000   29.70000 1.900000   50.82097 1.636332   50.82097   1.636332 0.000000 0.000000 
1 1 1  -38    0    3 o 5.036344 3.520557 -1.500000 1.500000  -1.500000 1.500000  -1.500000 1.500000   5.036344 3.520557   5.036344   3.520557 0.000000 0.000000 
1 1 1  -38    0    4 o 72.92696 1.378255  61.00000 2.300000   61.00000 2.300000   61.00000 2.300000   72.92696 1.378255   72.92696   1.378255 -0.000000 0.000000 
1 1 1  -38    0    5 o 56.78557 1.308796  37.00000 1.700000   37.00000 1.700000   37.00000 1.700000   56.78557 1.308796   56.78557   1.308796 -0.000000 0.000000 
1 1 1  -38    0    6 f 82.21045 1.435076  77.50000 2.700000   77.50000 2.700000   77.50000 2.700000   82.21045 1.435076   82.21045   1.435076 -0.000000 0.000000 
1 1 1  -38    0    7 o 212.1306 2.594497  516.3000 12.60000   516.3000 12.60000   516.3000 12.60000   212.1306 2.594497   212.1306   2.594497 -0.000000 0.000000 
1 1 1  -38    0    8 o 173.8153 2.941156  346.9000 11.70000   346.9000 11.70000   346.9000 11.70000   173.8153 2.941156   173.8153   2.941156 0.000000 0.000000 
1 1 1  -38    0    9 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -38    0   10 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -38    0   11 o 4.204815 2.707061  0.000000 0.6000000   0.000000 0.6000000   0.000000 0.6000000   4.204815 2.707061   4.204815   2.707061 -0.000000 0.000000 
1 1 1  -38    0   12 o 7.387952 3.930711 0.9000000 0.9000000  0.9000000 0.9000000  0.9000000 0.9000000   7.387952 3.930711   7.387952   3.930711 -0.000000 0.000000 
1 1 1  -38    0   13 o 82.53098 1.429487  78.10000 2.700000   78.10000 2.700000   78.10000 2.700000   82.53098 1.429487   82.53098   1.429487 -0.000000 0.000000 
1 1 1  -38    0   14 o 51.34861 1.619362  30.30000 1.900000   30.30000 1.900000   30.30000 1.900000   51.34861 1.619362   51.34861   1.619362 0.000000 0.000000 
1 1 1  -38    0   15 o 139.9705 1.997480  224.7000 6.400000   224.7000 6.400000   224.7000 6.400000   139.9705 1.997480   139.9705   1.997480 0.000000 0.000000 
1 1 1  -38    0   16 o 40.00834 2.086645  18.50000 1.900000   18.50000 1.900000   18.50000 1.900000   40.00834 2.086645   40.00834   2.086645 0.000000 0.000000 
1 1 1  -38    0   17 o 198.3402 2.642920  451.7000 12.00000   451.7000 12.00000   451.7000 12.00000   198.3402 2.642920   198.3402   2.642920 0.000000 0.000000 
1 1 1  -38    0   18 o 55.08507 1.827757  34.90000 2.300000   34.90000 2.300000   34.90000 2.300000   55.08507 1.827757   55.08507   1.827757 0.000000 0.000000 
1 1 1  -38    0   19 f 98.81670 1.857397  112.1000 4.200000   112.1000 4.200000   112.1000 4.200000   98.81670 1.857397   98.81670   1.857397 -0.000000 0.000000 
1 1 1  -38    0   20 o 131.5641 2.158636  198.8000 6.500000   198.8000 6.500000   198.8000 6.500000   131.5641 2.158636   131.5641   2.158636 0.000000 0.000000 
1 1 1  -38    0   21 o 33.12448 3.234551  13.00000 2.400000   13.00000 2.400000   13.00000 2.400000   33.12448 3.234551   33.12448   3.234551 -0.000000 0.000000 
1 1 1  -38    0   22 o 106.0215 1.978464  129.2000 4.800000   129.2000 4.800000   129.2000 4.800000   106.0215 1.978464   106.0215   1.978464 -0.000000 0.000000 
1 1 1  -38    0   23 o 108.4895 2.256130  135.6000 5.600000   135.6000 5.600000   135.6000 5.600000   108.4895 2.256130   108.4895   2.256130 0.000000 0.000000 
1 1 1  -38    0   24 o 7.998609 5.315515 -0.6000000 2.600000 -0.6000000 2.600000 -0.6000000 2.600000   7.998609 5.315515   7.998609   5.315515 0.000000 0.000000 
1 1 1  -38    0   25 o 51.48083 2.645339  30.90000 3.100000   30.90000 3.100000   30.90000 3.100000   51.48083 2.645339   51.48083   2.645339 0.000000 0.000000 
1 1 1  -38    0   26 o 54.98047 2.232128  35.10000 2.800000   35.10000 2.800000   35.10000 2.800000   54.98047 2.232128   54.98047   2.232128 -0.000000 0.000000 
1 1 1  -38    0   27 o 8.523095 5.707757 -0.7000000 3.100000 -0.7000000 3.100000 -0.7000000 3.100000   8.523095 5.707757   8.523095   5.707757 0.000000 0.000000 
1 1 1  -38    0   28 o 50.55886 3.225644  30.40000 3.700000   30.40000 3.700000   30.40000 3.700000   50.55886 3.225644   50.55886   3.225644 -0.000000 0.000000 
1 1 1  -38    2    1 o 137.5671 1.814371  218.5149 3.475974   219.1000 5.300000   217.4000 10.10000   138.1158 1.675608   137.0184   3.218712 1.097336 3.628742 
1 1 1  -38    2    2 o 50.48058 1.433682  29.74545 0.9886364   30.70000 1.500000   27.90000 2.900000   51.74265 1.265850   49.21850   2.572820 2.524155 2.867364 
1 1 1  -38    2    3 o 91.98611 1.520996  97.39651 1.922093   97.70000 2.900000   96.80000 5.700000   92.30028 1.371939   91.67194   2.715052 0.6283340 3.041993 
1 1 1  -38    2    4 o 81.86082 1.308071  75.83731 1.510448   73.40000 2.300000   80.50000 4.400000   80.02146 1.255050   83.70018   2.295440 -3.678719 2.616142 
1 1 1  -38    2    5 o 35.56562 1.589520  14.05588 0.6617647   13.50000 0.9000000   15.60000 2.500000   34.32209 1.145008   36.80914   2.965678 -2.487053 3.179039 
1 1 1  -38    2    6 o 159.2884 2.251740  292.4983 5.798276   280.8000 11.80000   303.8000 11.40000   156.1203 3.300368   162.4565   3.064132 -6.336151 4.503480 
1 1 1  -38    2    7 f 47.36156 1.866644  25.74737 1.421053   21.20000 2.700000   30.80000 3.000000   42.94499 2.745307   51.77813   2.529966 -8.833138 3.733288 
1 1 1  -38    2    8 o 116.7061 1.946415  156.6442 3.674830   150.1000 7.400000   163.1000 7.300000   114.2712 2.827709   119.1409   2.675479 -4.869766 3.892830 
1 1 1  -38    2    9 o 21.09076 3.346256  5.297873 1.174468   2.900000 2.300000   7.800000 2.400000   16.18044 5.342729   26.00109   4.030504 -9.820652 6.692512 
1 1 1  -38    2   10 o 140.9842 2.222339  228.2911 5.065025   218.4000 9.700000   239.1000 10.60000   137.8069 3.073551   144.1614   3.210677 -6.354477 4.444677 
1 1 1  -38    2   11 o 214.0827 2.820001  528.6880 9.774425   533.6000 19.40000   523.7000 19.70000   215.1044 3.938149   213.0611   4.037400 2.043289 5.640002 
1 1 1  -38    2   12 o 71.79674 1.680088  59.25385 1.948718   57.10000 4.000000   61.30000 3.800000   70.51469 2.476966   73.07878   2.270555 -2.564087 3.360176 
1 1 1  -38    2   13 o 91.85649 1.190677  96.67647 1.552941   97.00000 4.400000   96.50000 2.400000   91.94092 2.089698   91.77206   1.141933 0.1688614 2.381354 
1 1 1  -38    2   14 o 26.76657 2.418801  7.653846 0.6923077   9.500000 3.000000   7.100000 0.9000000   28.64843 4.572568   24.88473   1.579244 3.763700 4.837602 
1 1 1  -38    2   15 o 77.66174 1.367032  67.51818 1.431818   74.20000 4.500000   64.40000 2.100000   80.36129 2.445149   74.96220   1.223254 5.399086 2.734064 
1 1 1  -38    2   16 o 130.5396 1.633856  193.9642 3.080597   202.5000 8.600000   189.2000 4.800000   132.6459 2.831030   128.4334   1.631935 4.212448 3.267712 
1 1 1  -38    2   17 f 173.7619 2.103765  345.5083 5.263755   356.1000 14.70000   339.6000 8.200000   175.5603 3.656207   171.9634   2.082176 3.596863 4.207530 
1 1 1  -38    2   18 o 136.3600 1.768707  211.8649 3.439735   221.6000 9.800000   206.6000 5.300000   138.5636 3.088280   134.1565   1.725059 4.407089 3.537415 
1 1 1  -38    2   19 o 62.07097 1.718427  45.37273 1.575758   40.10000 4.000000   48.80000 2.600000   58.94768 2.963009   65.19427   1.741420 -6.246590 3.436854 
1 1 1  -38    2   20 o 128.1713 1.541794  189.0359 3.196875   185.5000 6.200000   192.8000 6.600000   126.9496 2.132555   129.3930   2.227269 -2.443459 3.083588 
1 1 1  -38    2   21 o 89.50699 1.845378  90.73077 2.353846   86.30000 3.600000   99.10000 6.800000   86.62277 1.814722   92.39121   3.213794 -5.768440 3.690757 
1 1 1  -38    2   22 o 146.4340 1.708034  247.9500 4.050000   251.2000 8.100000   244.7000 8.100000   147.4031 2.399485   145.4648   2.431458 1.938263 3.416067 
1 1 1  -38    2   23 o 125.6754 1.498485  182.4615 3.046721   188.4000 6.300000   176.9000 5.900000   127.6333 2.155342   123.7174   2.082385 3.915932 2.996969 
1 1 1  -38    2   24 o 30.44225 2.640970  10.95577 1.298077   11.10000 2.500000   10.80000 2.700000   30.69460 3.556458   30.18990   3.905187 0.5047016 5.281939 
1 1 1  -38    2   25 o 27.80866 3.056964  9.862745 1.274510   13.00000 2.500000   6.600000 2.600000   33.04905 3.303093   22.56828   5.144872 10.48077 6.113929 
1 1 1  -38    2   26 o 30.79925 2.732450  11.56667 1.333333   11.40000 3.000000   11.70000 2.400000   30.37312 4.312921   31.22537   3.356165 -0.8522491 5.464900 
1 1 1  -38    2   27 o 53.71585 2.071015  34.35000 1.800000   35.90000 3.600000   32.80000 3.600000   54.97585 2.859369   52.45586   2.996734 2.519993 4.142029 
1 1 1  -38    2   28 o 22.12796 4.040279  6.950000 1.500000   8.900000 3.000000   5.000000 3.000000   25.54496 5.301701   18.71096   6.098147 6.834007 8.080559 
1 1 1  -38    4    1 o 84.08044 1.664133  80.86235 1.804706   79.70000 2.600000   83.50000 5.900000   83.31894 1.362603   84.84195   3.036554 -1.523010 3.328265 
1 1 1  -38    4    2 o 36.81195 2.471933  17.05490 1.098039   19.00000 1.600000   12.80000 3.500000   40.65509 1.718481   32.96881   4.635584 7.686283 4.943866 
1 1 1  -38    4    3 o 43.87804 1.492739  22.10000 1.500000   22.10000 1.500000          ?        ?   43.87804 1.492739          ?          ?       ?       ? 
1 1 1  -38    4    4 o 27.51935 3.200349  8.779593 0.8530613   8.600000 1.100000   9.400000 3.800000   27.36728 1.755096   27.67141   6.155370 -0.3041344 6.400698 
1 1 1  -38    4    5 o 44.71775 1.993107  24.49200 1.008000   26.20000 1.400000   20.10000 3.600000   47.79940 1.278926   41.63610   3.775480 6.163303 3.986213 
1 1 1  -38    4    6 o 62.71176 1.272646  44.95918 1.077551   44.60000 1.600000   45.70000 3.300000   62.37882 1.120012   63.04469   2.285626 -0.6658707 2.545292 
1 1 1  -38    4    7 o 202.1395 2.458561  461.6961 6.464262   445.2000 9.300000   499.3000 21.20000   196.8897 2.062527   207.3894   4.463639 -10.49974 4.917122 
1 1 1  -38    4    8 o 87.55423 1.909483  88.19260 2.685185   88.30000 5.800000   88.10000 5.000000   87.57308 2.891992   87.53539   2.494170 0.3769684E-01 3.818966 
1 1 1  -38    4    9 o 75.31728 1.885397  65.13479 2.295652   70.30000 4.800000   60.40000 4.400000   78.17194 2.681205   72.46261   2.651419 5.709328 3.770794 
1 1 1  -38    4   10 o 27.33944 3.578664  9.121311 1.521312   14.00000 3.200000   4.700000 2.900000   34.78505 4.016956   19.89384   5.923800 14.89121 7.157328 
1 1 1  -38    4   11 o 117.5825 1.182647  158.5733 2.245556   158.0000 4.300000   159.2000 4.700000   117.3691 1.599758   117.7959   1.742238 -0.4267273 2.365295 
1 1 1  -38    4   12 o 130.4837 1.384264  195.4325 2.924786   197.5000 5.900000   193.4000 5.800000   131.1670 1.964116   129.8005   1.951153 1.366486 2.768528 
1 1 1  -38    4   13 f 90.81223 1.121989  94.53939 1.648485   96.60000 3.400000   92.60000 3.200000   91.76931 1.617786   89.85515   1.555058 1.914162 2.243979 
1 1 1  -38    4   14 o 134.2361 1.507522  207.0595 3.273283   204.4000 6.700000   209.6000 6.400000   133.3806 2.193421   135.0917   2.068669 -1.711121 3.015043 
1 1 1  -38    4   15 o 35.75396 1.597570  14.69189 0.9243243   15.00000 1.900000   14.40000 1.800000   36.11634 2.297151   35.39157   2.220815 0.7247696 3.195140 
1 1 1  -38    4   16 o 115.3299 1.407174  152.6667 2.613333   150.1000 4.900000   155.6000 5.600000   114.3155 1.871676   116.3443   2.101757 -2.028793 2.814348 
1 1 1  -38    4   17 o 64.87697 1.262673  48.37925 1.324528   49.90000 2.600000   46.80000 2.700000   65.92379 1.722149   63.83015   1.847046 2.093643 2.525347 
1 1 1  -38    4   18 o 71.35078 1.235757  58.53158 1.421053   59.10000 2.700000   57.90000 3.000000   71.73106 1.643600   70.97049   1.845794 0.7605743 2.471513 
1 1 1  -38    4   19 o 37.86144 2.041996  16.56800 1.242000   16.20000 2.300000   17.00000 2.700000   37.43377 2.682897   38.28911   3.079131 -0.8553391 4.083991 
1 1 1  -38    4   20 o 54.14898 1.511180  33.79623 1.324528   33.60000 2.600000   34.00000 2.700000   53.99455 2.102631   54.30341   2.171083 -0.3088608 3.022360 
1 1 1  -38    4   21 o 55.79382 1.607650  36.03104 1.448276   35.10000 3.000000   36.90000 2.800000   55.07066 2.378706   56.51698   2.163310 -1.446323 3.215299 
1 1 1  -38    4   22 o 27.09298 3.255104  8.969091 1.352727   8.800000 3.100000   9.100000 2.400000   26.45931 5.300653   27.72664   3.779669 -1.267330 6.510208 
1 1 1  -38    4   23 o 76.99855 1.528081  68.77895 1.894737   70.20000 3.600000   67.20000 4.000000   77.89697 2.018002   76.10014   2.295167 1.796822 3.056162 
1 1 1  -38    4   24 f 26.93898 3.454204  9.275863 1.443103   10.30000 2.700000   8.100000 3.100000   29.10489 4.050769   24.77306   5.596191 4.331831 6.908407 
1 1 1  -38    4   25 o 42.70760 1.917238  21.57170 1.324528   20.10000 2.600000   23.10000 2.700000   41.20051 2.755564   44.21468   2.666472 -3.014172 3.834476 
1 1 1  -38    4   26 o 56.69390 1.971394  37.65915 1.673239   36.10000 2.700000   40.20000 4.400000   55.57932 2.121242   57.80849   3.323539 -2.229168 3.942789 
1 1 1  -38    4   27 o 21.56056 4.471268  6.435821 1.510448   5.200000 2.300000   8.800000 4.400000   19.51741 5.092104   23.60371   7.351150 -4.086306 8.942535 
1 1 1  -38    6    1 o 67.70012 1.616376  51.46667 1.533333   47.90000 2.300000   58.60000 4.600000   64.50137 1.557036   70.89886   2.833076 -6.397491 3.232751 
1 1 1  -38    6    2 o 16.02627 4.456087  1.040000 1.470000  -1.300000 2.100000   6.500000 4.900000   9.415451 4.313550   22.63710   7.798727 -13.22165 8.912174 
1 1 1  -38    6    3 o 46.47660 1.629714  24.87755 1.212245   23.80000 2.200000   26.20000 2.700000   45.39707 2.116092   47.55613   2.479117 -2.159058 3.259428 
1 1 1  -38    6    4 o 38.28184 1.982380  17.01837 1.220408   17.30000 2.300000   16.70000 2.600000   38.65429 2.598183   37.90938   2.994790 0.7449074 3.964760 
1 1 1  -38    6    5 o 33.03049 2.121887  12.67778 1.111111   12.90000 2.000000   12.40000 2.500000   33.40613 2.614228   32.65485   3.342966 0.7512779 4.243773 
1 1 1  -38    6    6 o 55.70267 1.333841  35.66666 1.191667   35.30000 2.200000   36.10000 2.600000   55.41118 1.733664   55.99417   2.027544 -0.5829926 2.667682 
1 1 1  -38    6    7 o 26.79291 2.491589  8.523809 1.040476   9.700000 1.900000   7.100000 2.300000   28.95056 2.865737   24.63525   4.076716 4.315311 4.983178 
1 1 1  -38    6    8 o 10.56033 3.105527 0.1500000 0.8972222   1.100000 1.900000 -0.7000000 1.700000   12.13583 4.734220   8.984839   4.020492 3.150987 6.211054 
1 1 1  -38    6    9 o 22.84697 2.235282  6.057576 0.8242424   6.300000 1.600000   5.800000 1.700000   23.33290 2.994270   22.36104   3.319684 0.9718666 4.470565 
1 1 1  -38    6   10 o 33.64896 1.667516  13.08889 0.8888889   13.40000 1.600000   12.70000 2.000000   34.12660 2.047230   33.17131   2.632735 0.9552956 3.335033 
1 1 1  -38    6   11 o 40.90865 1.359156  19.25000 0.9000000   18.60000 1.800000   19.90000 1.800000   40.21485 1.954455   41.60246   1.889266 -1.387608 2.718313 
1 1 1  -38    6   12 o 28.96389 1.985871  9.651352 0.9189189   7.400000 1.700000   12.30000 2.000000   25.29206 2.934975   32.63573   2.675940 -7.343668 3.971742 
1 1 1  -38    6   13 o 52.75197 1.344566  31.80435 1.141304   28.70000 2.100000   35.50000 2.500000   49.95848 1.835480   55.54545   1.965311 -5.586971 2.689133 
1 1 1  -38    6   14 f 88.34495 1.486441  89.79411 2.117647   88.10000 4.000000   91.70000 4.500000   87.48547 1.996475   89.20442   2.202753 -1.718948 2.972883 
1 1 1  -38    6   15 o 31.23065 2.434600  11.37755 1.220408   11.80000 2.300000   10.90000 2.600000   31.88994 3.149298   30.57135   3.713628 1.318588 4.869201 
1 1 1  -38    6   16 o 37.94639 1.950928  16.57500 1.191667   15.20000 2.200000   18.20000 2.600000   36.25442 2.649729   39.63836   2.864161 -3.383938 3.901856 
1 1 1  -38    6   17 o 17.08305 2.850453  2.902632 0.9078947  0.1000000 1.500000   7.200000 2.300000   9.435936 4.001006   24.73017   4.061069 -15.29424 5.700906 
1 1 1  -38    6   18 o 78.55984 1.572773  71.35625 1.998750   71.60000 3.900000   71.10000 4.100000   78.71770 2.163376   78.40199   2.283476 0.3157043 3.145546 
1 1 1  -38    6   19 o 35.62444 2.436359  14.82857 1.371429   14.10000 2.400000   15.80000 3.200000   34.72283 3.018115   36.52605   3.825489 -1.803223 4.872718 
1 1 1  -38    6   20 o 28.69258 2.677129  9.908333 1.166667   10.70000 2.000000   8.800000 2.800000   30.28349 2.883791   27.10166   4.511301 3.181829 5.354259 
1 1 1  -38    6   21 f 68.83945 1.592986  55.00563 1.766197   53.10000 3.300000   57.20000 3.800000   67.61642 2.131088   70.06247   2.368306 -2.446053 3.185971 
1 1 1  -38    6   22 o 28.97323 2.975596  10.49245 1.324528   12.70000 2.600000   8.200000 2.700000   32.58215 3.484442   25.36430   4.824454 7.217850 5.951193 
1 1 1  -38    6   23 o 36.38694 2.878368  17.15000 1.500000   24.60000 3.000000   9.700000 3.000000   45.48841 2.879786   27.28547   4.984660 18.20295 5.756735 
1 1 1  -38    6   24 o 34.90694 2.786715  14.93968 1.574603   14.30000 3.100000   15.60000 3.200000   34.13318 3.965744   35.68071   3.916121 -1.547535 5.573431 
1 1 1  -38    6   25 o 49.62450 2.024952  29.21077 1.593846   32.00000 3.700000   27.10000 2.800000   51.46641 3.139189   47.78258   2.558752 3.683830 4.049904 
1 1 1  -38    8    1 o 19.89468 3.614046  5.362500 1.312500   7.500000 2.100000   1.800000 3.500000   24.82076 3.694400   14.96860   6.212626 9.852160 7.228092 
1 1 1  -38    8    2 o 25.32830 3.111684  7.388235 1.164706   4.600000 1.800000   12.50000 3.300000   18.99535 4.244635   31.66125   4.551197 -12.66590 6.223368 
1 1 1  -38    8    3 o 18.87190 3.728849  3.586842 1.603947   7.400000 2.300000  -5.200000 5.300000   24.68129 4.069111   13.06252   6.249767 11.61878 7.457697 
1 1 1  -38    8    4 o 16.87385 3.701449  3.528889 1.097778   2.600000 1.900000   4.800000 2.600000   14.62341 4.857287   19.12428   5.586560 -4.500862 7.402898 
1 1 1  -38    8    5 o 19.51205 3.934181  4.909434 1.301887   4.400000 3.000000   5.300000 2.300000   18.63585 6.099341   20.38826   4.970830 -1.752407 7.868361 
1 1 1  -38    8    6 o 53.75894 1.728041  33.65000 1.498333   35.10000 2.900000   32.10000 3.100000   55.00380 2.302211   52.51409   2.577660 2.489712 3.456082 
1 1 1  -38    8    7 o 33.33025 2.372960  13.07647 1.270588   12.60000 2.700000   13.50000 2.400000   32.69084 3.606429   33.96967   3.085032 -1.278831 4.745920 
1 1 1  -38    8    8 o 30.73509 2.591229  11.20392 1.262745   11.70000 2.300000   10.60000 2.800000   31.60602 3.177589   29.86416   4.093996 1.741852 5.182458 
1 1 1  -38    8    9 o 20.46527 3.476062  5.212766 1.170213   3.200000 2.200000   7.500000 2.500000   16.28075 5.214684   24.64980   4.597728 -8.369049 6.952124 
1 1 1  -38    8   10 o 44.28940 1.678139  22.80000 1.200000   20.80000 2.400000   24.80000 2.400000   42.31757 2.476454   46.26123   2.265342 -3.943665 3.356277 
1 1 1  -38    8   11 o 60.67245 1.458428  41.96491 1.371930   39.10000 2.300000   46.20000 3.400000   58.23277 1.724646   63.11213   2.352371 -4.879360 2.916857 
1 1 1  -38    8   12 o 33.41984 2.307353  13.02600 1.242000   11.60000 2.300000   14.70000 2.700000   31.46048 3.192289   35.37919   3.332388 -3.918709 4.614707 
1 1 1  -38    8   13 o 59.74356 1.580667  41.16066 1.504918   39.70000 2.700000   43.00000 3.400000   58.61453 2.011399   60.87259   2.438916 -2.258057 3.161335 
1 1 1  -38    8   14 o 81.56492 1.466402  76.25714 1.870130   72.60000 3.200000   81.40000 4.500000   79.34370 1.761073   83.78614   2.345201 -4.442444 2.932805 
1 1 1  -38    8   15 o 22.76317 5.741294  6.545794 2.646729   5.200000 4.800000   8.200000 5.900000   20.83588 7.659482   24.69047   8.554657 -3.854591 11.48259 
1 1 1  -38    8   16 o 103.1077 1.582422  124.0933 2.613333   129.6000 4.900000   117.8000 5.600000   105.7124 2.023996   100.5029   2.433040 5.209549 3.164845 
1 1 1  -38    8   17 o 39.29265 2.466734  18.62903 1.548387   21.00000 3.000000   16.10000 3.200000   42.07138 3.113682   36.51392   3.826760 5.557461 4.933468 
1 1 1  -38    8   18 o 9.243973 3.074352 -2.106383 1.170213  -2.200000 2.200000  -2.000000 2.500000   8.788836 4.153268   9.699110   4.533973 -0.9102745 6.148703 
1 1 1  -38    8   19 o 25.60597 3.586797  9.535593 1.440678   13.90000 2.500000   3.600000 3.400000   34.07319 3.203811   17.13875   6.418414 16.93444 7.173593 
1 1 1  -38    8   20 o 51.19741 2.082606  31.21884 1.724638   29.10000 3.400000   33.40000 3.500000   49.39333 3.005733   53.00150   2.883498 -3.608170 4.165212 
1 1 1  -38    8   21 o 23.49251 3.805943  7.373684 1.421053   6.000000 2.700000   8.900000 3.000000   21.04756 5.529675   25.93747   5.231014 -4.889904 7.611887 
1 1 1  -38    8   22 o 22.02039 3.984054  6.837931 1.434483   7.600000 2.600000   5.900000 3.200000   23.85982 4.921628   20.18097   6.266445 3.678852 7.968109 
1 1 1  -38   10    4 o 16.23241 4.160102  3.400000 1.448276   2.000000 2.800000   4.900000 3.000000   14.01772 5.655727   18.44710   6.102340 -4.429380 8.320204 
1 1 1  -38   10    5 o 17.34412 4.300469  3.722951 1.432787   1.800000 2.300000   6.900000 3.800000   13.25576 5.198356   21.43249   6.852243 -8.176730 8.600938 
1 1 1  -38   10    6 o 16.55744 4.368307  3.360000 1.578462   3.900000 2.700000   2.600000 3.800000   17.10098 5.791099   16.01389   6.541529 1.087088 8.736614 
1 1 1  -38   10    7 o 9.918752 3.305613 -2.185455 1.338182  -3.000000 3.200000  -1.600000 2.300000   10.40982 4.945525   9.427686   4.387494 0.9821320 6.611227 
1 1 1  -38   10    8 o 15.46763 4.244234  1.924242 1.643939 -0.8000000 3.100000   5.000000 3.500000   11.83000 5.349580   19.10527   6.590604 -7.275268 8.488467 
1 1 1  -38   10    9 o 32.92796 3.222311  14.08571 1.542857   16.10000 2.700000   11.40000 3.600000   36.63844 3.217855   29.21749   5.583776 7.420954 6.444622 
1 1 1  -38   10   10 o 17.68002 4.278911  4.096610 1.454237   3.700000 2.600000   4.600000 3.300000   16.86414 5.682981   18.49590   6.398441 -1.631756 8.557822 
1 1 1  -38   10   11 o 15.06232 3.845545  2.466667 1.274510   4.200000 2.600000  0.8000000 2.500000   17.75905 5.666934   12.36560   5.199877 5.393443 7.691090 
1 1 1  -38   10   12 o 25.11795 3.947831  8.612500 1.575000   6.700000 3.600000   10.10000 2.800000   21.71340 6.630744   28.52250   4.286572 -6.809105 7.895661 
1 1 1  -38   10   13 o 45.33636 2.036920  23.78000 1.440000   20.30000 2.400000   29.00000 3.600000   41.49699 2.525424   49.17572   3.196623 -7.678734 4.073840 
1 1 1  -38   10   14 o 12.73684 3.783309 0.6910714 1.355357   1.800000 2.300000 -0.9000000 3.300000   13.40039 5.213962   12.07329   5.483459 1.327094 7.566618 
1 1 1  -38   10   15 o 19.57037 4.419849  5.383077 1.593846   5.900000 2.800000   4.700000 3.700000   20.63958 5.723806   18.50116   6.736343 2.138420 8.839699 
1 1 1  -38   10   16 o 29.71534 3.072946  11.20508 1.471186   11.30000 2.800000   11.10000 3.100000   30.02445 4.072140   29.40623   4.603223 0.6182175 6.145892 
1 1 1  -38   10   17 o 20.66976 4.550368  6.170588 1.647059   4.400000 2.800000   8.700000 4.000000   17.64052 5.897740   23.69900   6.931094 -6.058479 9.100737 
1 1 1  -37    1    1 o 139.6752 1.887605  223.4574 3.566049   221.2000 5.300000   228.1000 10.90000   138.8378 1.666893   140.5125   3.387281 -1.674652 3.775209 
1 1 1  -37    1    2 o 50.49625 1.454907  30.07111 1.057778   32.30000 1.700000   26.40000 2.800000   53.07752 1.398550   47.91497   2.551682 5.162552 2.909815 
1 1 1  -37    1    3 o 127.2592 1.473405  186.1373 2.783898   186.9000 4.500000   184.9000 7.300000   127.6726 1.539057   126.8458   2.512965 0.8267899 2.946810 
1 1 1  -37    1    4 o 72.50824 1.292745  60.26897 1.310345   60.20000 2.000000   60.40000 3.800000   72.48171 1.204873   72.53477   2.287584 -0.5306244E-01 2.585490 
1 1 1  -37    1    5 o 78.19064 1.321560  68.40000 1.375000   65.40000 2.000000   75.00000 4.400000   75.55177 1.155913   80.82952   2.376963 -5.277756 2.643121 
1 1 1  -37    1    6 o 45.06184 1.534063  23.02195 0.8048781   22.70000 1.100000   23.90000 3.000000   44.51386 1.079039   45.60981   2.872121 -1.095951 3.068127 
1 1 1  -37    1    7 o 192.1684 2.426965  424.7093 7.549669   415.7000 15.20000   433.6000 15.00000   190.1295 3.490870   194.2074   3.372604 -4.077835 4.853930 
1 1 1  -37    1    8 o 121.6893 1.877370  169.4858 3.683108   161.7000 6.900000   178.4000 7.900000   118.7116 2.538024   124.6669   2.767040 -5.955368 3.754741 
1 1 1  -37    1    9 o 260.9271 3.271314  783.7845 13.80868   826.4000 28.60000   744.0000 26.70000   267.7635 4.663954   254.0906   4.588412 13.67297 6.542629 
1 1 1  -37    1   10 o 154.5299 2.127383  273.4986 5.305164   288.3000 11.30000   260.4000 10.00000   158.4464 3.114123   150.6134   2.899185 7.832977 4.254766 
1 1 1  -37    1   11 o 36.47577 1.892056  15.45227 1.097727   17.60000 2.100000   13.10000 2.300000   39.17273 2.340858   33.77880   2.973194 5.393925 3.784111 
1 1 1  -37    1   12 o 223.6547 2.235086  570.4726 6.943548   587.6000 20.50000   561.7000 10.50000   225.9765 3.961232   221.3329   2.071491 4.643570 4.470172 
1 1 1  -37    1   13 o 98.46492 1.461871  113.1667 1.933333   105.5000 5.800000   117.0000 2.900000   95.87373 2.641607   101.0561   1.253069 -5.182381 2.923742 
1 1 1  -37    1   14 o 181.5959 1.993164  377.5907 5.265198   383.3000 14.40000   374.3000 8.300000   182.5356 3.444726   180.6562   2.006158 1.879410 3.986328 
1 1 1  -37    1   15 o 154.3910 1.519902  273.4671 3.799342   276.0000 7.700000   271.0000 7.500000   155.0939 2.167882   153.6880   2.130890 1.405945 3.039803 
1 1 1  -37    1   16 o 136.3730 1.518878  213.0806 3.331343   218.4000 7.200000   208.5000 6.200000   137.9358 2.279268   134.8103   2.008207 3.125488 3.037755 
1 1 1  -37    1   17 o 188.0085 1.790295  405.9174 5.442661   413.9000 11.30000   398.5000 10.50000   189.7727 2.600066   186.2442   2.461763 3.528503 3.580590 
1 1 1  -37    1   18 o 137.5584 1.459391  217.3000 3.250000   223.2000 6.500000   211.4000 6.500000   139.4313 2.035602   135.6856   2.091796 3.745728 2.918782 
1 1 1  -37    1   19 o 64.74445 1.216424  48.10392 1.274510   48.30000 2.500000   47.90000 2.600000   64.88199 1.682502   64.60691   1.757252 0.2750778 2.432847 
1 1 1  -37    1   20 o 71.49591 1.297081  58.75000 1.500000   55.50000 3.000000   62.00000 3.000000   69.51099 1.884549   73.48082   1.782736 -3.969826 2.594161 
1 1 1  -37    1   21 o 101.2853 1.417625  117.9624 2.324731   114.5000 4.600000   121.5000 4.700000   99.78108 2.013026   102.7895   1.996589 -3.008438 2.835250 
1 1 1  -37    1   22 o 109.9980 1.460512  139.3933 2.599039   137.1000 5.300000   141.6000 5.100000   109.0927 2.121387   110.9033   2.008008 -1.810555 2.921024 
1 1 1  -37    1   23 o 130.5676 1.667622  197.0574 3.523404   196.7000 7.200000   197.4000 6.900000   130.4244 2.410535   130.7108   2.305033 -0.2864532 3.335245 
1 1 1  -37    1   24 o 38.14417 2.347268  17.65636 1.374545   23.40000 2.700000   11.70000 2.800000   44.85652 2.628318   31.43182   3.889809 13.42470 4.694536 
1 1 1  -37    1   25 o 43.57888 2.018341  22.12105 1.421053   23.70000 3.000000   20.70000 2.700000   45.03669 2.908670   42.12107   2.799007 2.915615 4.036683 
1 1 1  -37    1   26 o 74.62526 1.584514  65.22895 1.888158   67.90000 3.500000   62.10000 4.100000   76.43184 1.999555   72.81868   2.458560 3.613159 3.169028 
1 1 1  -37    1   27 o 33.73055 2.737767  13.63051 1.440678   20.20000 3.400000   8.800000 2.500000   40.75966 3.642404   26.70144   4.088321 14.05822 5.475534 
1 1 1  -37    1   28 o 48.39410 2.042947  27.85000 1.593750   27.10000 3.000000   28.70000 3.400000   47.79344 2.740896   48.99476   3.030184 -1.201321 4.085894 
1 1 1  -37    3    1 o 55.26057 1.377776  35.48724 1.085106   36.50000 1.700000   33.70000 3.000000   56.41454 1.315823   54.10659   2.421089 2.307949 2.755551 
1 1 1  -37    3    2 o 38.86837 2.069144  16.91429 1.000000   16.20000 1.400000   18.70000 3.500000   37.57119 1.627094   40.16554   3.804996 -2.594349 4.138288 
1 1 1  -37    3    3 o 35.69703 2.306062  14.99362 0.8936170   15.30000 1.200000   14.10000 3.500000   36.52830 1.434470   34.86576   4.383376 1.662544 4.612124 
1 1 1  -37    3    4 o 60.00601 1.314514  40.60408 1.077551   39.20000 1.600000   43.50000 3.300000   58.48332 1.194614   61.52871   2.341940 -3.045383 2.629028 
1 1 1  -37    3    5 o 15.16223 2.545332  2.931579 0.6315790   4.700000 0.8000000  -3.700000 3.000000   20.24292 1.725665   10.08155   4.789252 10.16138 5.090664 
1 1 1  -37    3    6 o 72.31322 1.584272  57.32000 1.384286   53.90000 1.900000   66.50000 5.100000   68.58343 1.209690   76.04301   2.928536 -7.459587 3.168544 
1 1 1  -37    3    7 o 168.0283 2.544237  324.0679 6.885199   306.0000 12.80000   345.1000 14.90000   163.0251 3.428430   173.0315   3.760111 -10.00648 5.088474 
1 1 1  -37    3    8 o 22.13566 4.455627  5.852239 1.671642   5.900000 3.200000   5.800000 3.500000   22.17097 6.107505   22.10036   6.489132 0.7061005E-01 8.911254 
1 1 1  -37    3    9 o 53.26403 1.892199  32.69384 1.624615   35.50000 3.200000   29.80000 3.300000   55.60300 2.512994   50.92506   2.829581 4.677940 3.784398 
1 1 1  -37    3   10 o 86.99014 1.863191  86.84572 2.622857   90.60000 5.400000   83.30000 5.100000   88.81480 2.654900   85.16548   2.614847 3.649315 3.726381 
1 1 1  -37    3   11 o 98.28653 1.968982  111.2176 3.124800   102.7000 6.300000   119.6000 6.200000   94.52981 2.910124   102.0432   2.653060 -7.513435 3.937963 
1 1 1  -37    3   12 o 18.59978 2.630894  5.681250 0.5468750 -0.1000000 2.500000   7.300000 0.7000000   11.95868 5.120544   25.24089   1.210969 -13.28221 5.261789 
1 1 1  -37    3   13 o 66.18752 1.615763  51.01250 1.375000   48.40000 4.400000   52.20000 2.000000   64.88300 2.961157   67.49202   1.293949 -2.609016 3.231525 
1 1 1  -37    3   14 o 100.9769 1.600543  117.4000 2.200000   116.0000 6.600000   118.1000 3.300000   100.4471 2.869103   101.5068   1.419576 -1.059647 3.201086 
1 1 1  -37    3   15 o 65.61334 1.574888  48.67619 1.326984   51.40000 4.400000   47.50000 1.900000   66.84892 2.874074   64.37777   1.288717 2.471153 3.149777 
1 1 1  -37    3   16 o 140.2349 1.508345  225.8066 3.424818   219.9000 6.800000   231.8000 6.900000   138.3850 2.145653   142.0847   2.120516 -3.699692 3.016690 
1 1 1  -37    3   17 o 51.11865 1.360009  29.94667 1.120000   30.80000 2.400000   29.20000 2.100000   51.79375 2.023362   50.44356   1.817830 1.350193 2.720018 
1 1 1  -37    3   18 o 21.84814 3.057272  5.980953 1.047619   3.100000 2.200000   8.600000 2.000000   16.40154 5.210609   27.29473   3.199564 -10.89320 6.114545 
1 1 1  -37    3   19 o 102.5165 1.386369  120.7130 2.295652   121.6000 4.800000   119.9000 4.400000   102.8635 2.037603   102.1695   1.880491 0.6940460 2.772738 
1 1 1  -37    3   20 o 92.02594 1.409191  97.40000 2.100000   96.80000 4.200000   98.00000 4.200000   91.74125 1.999053   92.31064   1.986723 -0.5693893 2.818383 
1 1 1  -37    3   21 o 53.16506 1.628147  32.55000 1.392857   33.30000 3.000000   31.90000 2.600000   53.71302 2.438829   52.61710   2.157675 1.095921 3.256294 
1 1 1  -37    3   22 o 63.50783 2.337714  46.60000 3.400000   46.60000 3.400000          ?        ?   63.50783 2.337714          ?          ?       ?       ? 
1 1 1  -37    3   23 o 68.55246 1.447755  54.54445 1.526984   55.70000 2.600000   52.90000 3.700000   69.54718 1.632426   67.55774   2.391478 1.989441 2.895510 
1 1 1  -37    3   24 o 71.34944 1.620672  59.59155 1.619718   61.00000 2.500000   57.00000 4.600000   72.80099 1.499486   69.89790   2.873647 2.903091 3.241343 
1 1 1  -37    3   25 f 41.33236 2.570354  19.87391 1.643478   16.90000 2.700000   24.50000 4.200000   37.75267 3.122884   44.91206   4.083439 -7.159389 5.140708 
1 1 1  -37    3   26 o 50.81803 2.057080  28.95882 1.552941   23.70000 2.400000   38.60000 4.400000   44.96889 2.330444   56.66717   3.390478 -11.69827 4.114160 
1 1 1  -37    3   27 o 30.03983 3.421071  12.34561 1.298246   14.10000 2.000000   9.100000 3.700000   34.59045 2.524722   25.48922   6.359300 9.101234 6.842143 
1 1 1  -37    3   28 o 29.81553 2.986077  11.02632 1.350877   10.10000 2.200000   12.50000 3.500000   28.76171 3.340009   30.86936   4.950854 -2.107655 5.972154 
1 1 1  -37    5    1 o 61.40224 1.749518  42.10149 1.441791   39.50000 2.100000   47.80000 4.600000   58.63293 1.563930   64.17155   3.130076 -5.538624 3.499037 
1 1 1  -37    5    2 o 45.38034 1.871062  24.02353 1.098039   24.40000 1.600000   23.20000 3.500000   46.09177 1.515780   44.66890   3.421389 1.422871 3.742124 
1 1 1  -37    5    3 o 15.81613 3.856379  2.525000 1.067308   2.900000 1.500000   1.600000 3.700000   15.49959 4.145248   16.13268   6.504119 -0.6330853 7.712759 
1 1 1  -37    5    4 o 57.33092 1.744747  37.52951 1.308197   37.00000 1.900000   38.70000 4.200000   56.78925 1.460923   57.87261   3.168954 -1.083363 3.489493 
1 1 1  -37    5    5 o 106.1260 1.527710  129.5124 2.624762   128.2000 5.300000   130.8000 5.200000   105.5869 2.191823   106.6650   2.128732 -1.078102 3.055420 
1 1 1  -37    5    6 o 40.44616 1.492478  18.79231 0.9692307   18.70000 1.800000   18.90000 2.100000   40.34940 1.947938   40.54291   2.261747 -0.1935120 2.984956 
1 1 1  -37    5    7 o 99.62762 1.620129  114.5660 2.520388   117.3000 4.400000   110.9000 5.900000   101.0827 1.900709   98.17254   2.624229 2.910156 3.240258 
1 1 1  -37    5    8 o 40.84818 1.521896  19.25000 1.000000   16.70000 2.000000   21.80000 2.000000   38.12230 2.290818   43.57407   2.004203 -5.451767 3.043793 
1 1 1  -37    5    9 o 45.72517 1.323723  23.92308 0.9589744   24.60000 2.200000   23.40000 1.700000   46.28477 2.075507   45.16556   1.643544 1.119213 2.647445 
1 1 1  -37    5   10 o 114.4540 1.595863  150.5475 2.936441   149.8000 6.300000   151.2000 5.500000   114.1613 2.409692   114.7467   2.092966 -0.5854721 3.191727 
1 1 1  -37    5   11 o 10.76037 2.918025 0.7533333 0.7466667   1.500000 1.400000 -0.1000000 1.600000   12.00364 4.166699   9.517090   4.086330 2.486551 5.836050 
1 1 1  -37    5   12 o 93.38388 1.306833  99.93544 1.967089   97.50000 3.700000   102.7000 4.200000   92.18155 1.752659   94.58621   1.938926 -2.404663 2.613665 
1 1 1  -37    5   13 o 42.88615 1.439489  20.99500 0.9900000   19.60000 1.800000   22.70000 2.200000   41.32040 1.902163   44.45190   2.161086 -3.131493 2.878978 
1 1 1  -37    5   14 o 41.03121 1.546535  19.34634 1.019512   19.30000 1.900000   19.40000 2.200000   40.98917 2.024064   41.07325   2.338855 -0.8407593E-01 3.093069 
1 1 1  -37    5   15 o 63.65465 1.285343  46.44529 1.320755   44.70000 2.500000   48.40000 2.800000   62.39603 1.749536   64.91328   1.883494 -2.517250 2.570686 
1 1 1  -37    5   16 o 72.46504 1.215579  60.33158 1.424561   58.50000 2.900000   62.10000 2.800000   71.37709 1.774103   73.55299   1.662254 -2.175903 2.431158 
1 1 1  -37    5   17 o 47.85413 1.420887  26.35000 1.100000   25.00000 2.200000   27.70000 2.200000   46.62229 2.060482   49.08597   1.957064 -2.463676 2.841775 
1 1 1  -37    5   18 o 30.37427 2.219519  11.19512 1.019512   14.30000 1.900000   7.600000 2.200000   35.21474 2.355964   25.53379   3.762245 9.680950 4.439037 
1 1 1  -37    5   19 o 11.21324 3.303682 -0.1604650 1.074419   1.500000 2.100000  -1.900000 2.200000   13.19325 5.020964   9.233240   4.295019 3.960006 6.607364 
1 1 1  -37    5   20 o 46.81395 1.616870  25.31429 1.224490   27.10000 2.500000   23.60000 2.400000   48.43769 2.253701   45.19021   2.319031 3.247478 3.233740 
1 1 1  -37    5   21 o 14.85787 3.529000  2.277273 1.097727   3.900000 2.100000  0.5000000 2.300000   17.73114 4.971126   11.98461   5.010316 5.746536 7.058000 
1 1 1  -37    5   22 o 53.99370 1.544566  33.75000 1.350000   32.70000 2.700000   34.80000 2.700000   53.14454 2.218425   54.84285   2.149728 -1.698307 3.089133 
1 1 1  -37    5   23 o 73.89061 1.695136  63.69630 2.022222   62.40000 4.200000   64.90000 3.900000   73.10277 2.508737   74.67844   2.280390 -1.575676 3.390271 
1 1 1  -37    5   24 o 31.25525 3.025688  12.33333 1.403509   10.20000 3.200000   14.00000 2.500000   28.17679 5.148779   34.33372   3.179501 -6.156925 6.051376 
1 1 1  -37    5   25 o 37.44540 2.602888  16.90000 1.542857   15.70000 2.700000   18.50000 3.600000   36.14754 3.261555   38.74325   4.057384 -2.595711 5.205776 
1 1 1  -37    5   26 o 44.47360 2.411780  23.99855 1.724638   27.60000 3.500000   20.50000 3.400000   47.92310 3.189061   41.02410   3.618925 6.898998 4.823559 
1 1 1  -37    5   27 o 14.78292 4.090783  1.752381 1.571429  -1.200000 3.000000   5.000000 3.300000   11.05679 5.098496   18.50905   6.398699 -7.452260 8.181566 
1 1 1  -37    7    1 o 50.08816 2.187192  29.47143 1.714286   28.90000 4.000000   29.90000 3.000000   49.48916 3.529309   50.68716   2.584420 -1.197998 4.374385 
1 1 1  -37    7    2 o 47.74940 1.878543  26.43103 1.434483   25.40000 2.600000   27.70000 3.200000   46.77856 2.426980   48.72024   2.868008 -1.941681 3.757087 
1 1 1  -37    7    3 o 51.17635 1.605516  30.37547 1.324528   34.40000 2.700000   26.50000 2.600000   54.53598 2.161824   47.81672   2.374287 6.719261 3.211031 
1 1 1  -37    7    4 o 24.78998 2.914682  7.234783 1.130435   5.800000 2.000000   9.100000 2.600000   21.82256 4.153617   27.75740   4.090103 -5.934845 5.829363 
1 1 1  -37    7    5 o 23.61112 2.955838  6.844186 1.074419   8.700000 2.100000   4.900000 2.200000   27.30795 3.357916   19.91428   4.865420 7.393665 5.911676 
1 1 1  -37    7    6 o 36.89382 2.068801  15.87347 1.220408   14.60000 2.600000   17.00000 2.300000   35.44614 3.202905   38.34150   2.619380 -2.895351 4.137602 
1 1 1  -37    7    7 o 79.21732 1.403088  72.20417 1.798611   70.60000 3.500000   73.90000 3.700000   78.31954 1.951361   80.11508   2.016634 -1.795540 2.806176 
1 1 1  -37    7    8 o 60.27243 1.487981  41.88276 1.448276   42.80000 2.800000   40.90000 3.000000   60.97300 2.005212   59.57186   2.198972 1.401134 2.975963 
1 1 1  -37    7    9 o 29.68081 2.281757  10.06818 1.079545   8.600000 1.900000   12.00000 2.500000   27.23659 3.046075   32.12503   3.398101 -4.888439 4.563514 
1 1 1  -37    7   10 o 56.08020 1.570609  36.23158 1.421053   35.90000 2.700000   36.60000 3.000000   55.82706 2.111829   56.33334   2.325388 -0.5062790 3.141218 
1 1 1  -37    7   11 o 54.18770 1.566877  33.83273 1.374545   32.90000 2.700000   34.80000 2.800000   53.42864 2.206629   54.94677   2.225131 -1.518127 3.133755 
1 1 1  -37    7   12 o 24.12191 2.683190  7.110256 0.9589744   8.200000 1.700000   5.700000 2.200000   26.62170 2.788385   21.62212   4.585079 4.999584 5.366381 
1 1 1  -37    7   13 o 51.32919 1.683614  30.18750 1.383929   28.00000 2.500000   32.90000 3.100000   49.28704 2.214864   53.37134   2.536257 -4.084301 3.367227 
1 1 1  -37    7   14 o 81.61956 1.514011  76.58250 1.988750   73.90000 3.700000   79.70000 4.300000   80.10738 2.016828   83.13174   2.258610 -3.024353 3.028022 
1 1 1  -37    7   15 o 35.71080 2.020586  14.89130 1.130435   15.50000 2.000000   14.10000 2.600000   36.62565 2.384429   34.79596   3.262753 1.829693 4.041171 
1 1 1  -37    7   16 o 65.65546 1.529963  49.79385 1.624615   46.20000 3.200000   53.50000 3.300000   63.23661 2.209638   68.07432   2.116754 -4.837708 3.059926 
1 1 1  -37    7   17 o 69.69112 2.156164  56.03333 2.066667   54.70000 3.100000   58.70000 6.200000   68.84312 1.966259   70.53912   3.837968 -1.695999 4.312328 
1 1 1  -37    7   18 o 15.89477 3.897911  2.887755 1.220408   2.700000 2.300000   3.100000 2.600000   15.40147 5.340938   16.38807   5.678841 -0.9866009 7.795822 
1 1 1  -37    7   19 o 18.24042 3.930636  4.100000 1.270588   3.300000 2.400000   5.000000 2.700000   16.60303 5.456455   19.87780   5.659214 -3.274765 7.861272 
1 1 1  -37    7   20 o 37.98641 2.383376  17.42281 1.424561   21.50000 2.800000   13.20000 2.900000   42.77960 2.857992   33.19321   3.814946 9.586388 4.766753 
1 1 1  -37    7   21 o 34.09303 2.625968  13.97241 1.448276   14.80000 3.000000   13.20000 2.800000   35.05767 3.736611   33.12838   3.690604 1.929283 5.251935 
1 1 1  -37    7   22 o 12.89419 3.813881 0.9000000 1.350000  0.1000000 2.700000   1.700000 2.700000   11.93861 5.215796   13.84978   5.565809 -1.911174 7.627762 
1 1 1  -37    7   23 o 41.60322 2.266003  20.74262 1.521312   20.90000 3.200000   20.60000 2.900000   41.66479 3.353671   41.54165   3.048274 0.1231384 4.532007 
1 1 1  -37    7   24 o 24.28182 3.550269  7.850000 1.350000   8.300000 2.700000   7.400000 2.700000   25.09106 4.874434   23.47258   5.163093 1.618481 7.100538 
1 1 1  -37    9    1 o 14.93788 3.549482 0.7644067 1.454237   5.700000 2.600000  -5.500000 3.300000   20.56446 5.437643   9.311292   4.563698 11.25317 7.098965 
1 1 1  -37    9    2 o 14.85277 4.094880  2.310526 1.421053   2.500000 2.700000   2.100000 3.000000   14.96872 5.694057   14.73681   5.886414 0.2319088 8.189759 
1 1 1  -37    9    3 o 22.23182 3.276559  6.444681 1.174468   9.100000 2.400000   3.900000 2.300000   27.27615 3.842093   17.18749   5.308641 10.08866 6.553117 
1 1 1  -37    9    4 o 14.91664 4.010791  2.289091 1.352727   2.900000 2.400000   1.500000 3.100000   15.52216 5.451668   14.31111   5.884308 1.211051 8.021582 
1 1 1  -37    9    5 o 14.23882 3.526644  1.122222 1.303704   4.300000 2.200000  -3.500000 3.200000   18.22326 5.080708   10.25438   4.892370 7.968888 7.053288 
1 1 1  -37    9    6 f 42.01705 2.081877  21.02143 1.392857   22.60000 2.600000   19.20000 3.000000   43.87901 2.587356   40.15508   3.262274 3.723930 4.163754 
1 1 1  -37    9    7 o 20.49886 3.901086  5.547369 1.414035   7.600000 2.600000   3.100000 3.100000   24.46257 4.812430   16.53515   6.141205 7.927422 7.802172 
1 1 1  -37    9    8 o 23.98355 3.443035  7.280769 1.282692   7.900000 2.300000   6.500000 2.900000   25.65433 3.914776   22.31279   5.665023 3.341539 6.886070 
1 1 1  -37    9    9 o 11.60770 3.495995 0.1297872 1.174468 -0.8000000 2.300000   1.100000 2.400000   10.35878 4.652949   12.85663   5.219003 -2.497848 6.991990 
1 1 1  -37    9   10 o 34.77854 2.754448  15.12727 1.370909   23.30000 2.900000   7.800000 2.600000   44.59233 2.839733   24.96475   4.720577 19.62758 5.508895 
1 1 1  -37    9   11 o 39.79811 1.904952  18.35714 1.200000   17.20000 2.100000   19.90000 2.800000   38.43742 2.385639   41.15881   2.970537 -2.721386 3.809903 
1 1 1  -37    9   12 o 51.63923 1.733353  30.89655 1.434483   28.70000 2.600000   33.60000 3.200000   49.66637 2.285865   53.61209   2.606315 -3.945717 3.466707 
1 1 1  -37    9   13 o 29.67741 2.602906  10.51400 1.242000   10.10000 2.300000   11.00000 2.700000   29.12322 3.448484   30.23160   3.899801 -1.108377 5.205812 
1 1 1  -37    9   14 o 18.53037 3.633909  4.414894 1.174468   6.100000 2.400000   2.800000 2.300000   21.75473 4.931087   15.30601   5.339060 6.448712 7.267818 
1 1 1  -37    9   15 o 56.34534 1.598456  37.20000 1.448276   34.20000 3.000000   40.00000 2.800000   54.06129 2.423118   58.62940   2.085366 -4.568111 3.196913 
1 1 1  -37    9   16 o 33.09453 2.654674  13.16429 1.355357   13.00000 2.300000   13.40000 3.300000   33.13144 3.031288   33.05762   4.358952 0.7381821E-01 5.309347 
1 1 1  -37    9   17 o 63.23388 1.536643  46.51270 1.565079   42.60000 2.900000   51.10000 3.400000   60.40503 2.096354   66.06274   2.247305 -5.657711 3.073285 
1 1 1  -37    9   18 o 30.94375 3.167755  12.51053 1.421053   6.400000 2.700000   19.30000 3.000000   21.81168 5.427165   40.07583   3.268726 -18.26415 6.335510 
1 1 1  -37    9   19 o 33.37045 3.197506  13.99846 1.606154   8.600000 2.900000   20.70000 3.600000   25.57541 5.129733   41.16548   3.818643 -15.59007 6.395013 
1 1 1  -37    9   20 o 12.41771 3.832962 0.2827586 1.434483 -0.3000000 2.600000   1.000000 3.200000   11.24274 5.005671   13.59268   5.806001 -2.349941 7.665924 
1 1 1  -37    9   21 o 16.63827 4.346746  3.300000 1.636364  0.8000000 3.000000   6.300000 3.600000   12.87293 5.561668   20.40360   6.681667 -7.530673 8.693493 
1 1 1  -37   11    8 o 14.26989 4.199297  1.840000 1.560000   2.000000 2.600000   1.600000 3.900000   13.79206 5.489177   14.74772   6.356517 -0.9556618 8.398594 
1 1 1  -37   11    9 f 10.79777 3.587412 -2.100000 1.600000  -1.900000 3.200000  -2.300000 3.200000   10.93089 5.116072   10.66464   5.030298 0.2662497 7.174824 
1 1 1  -37   11   10 o 14.24249 3.858515  1.817857 1.392857 -0.7000000 3.000000   4.000000 2.600000   11.48362 5.220508   17.00136   5.683208 -5.517733 7.717031 
1 1 1  -37   11   11 o 11.49617 3.716604 -0.9888889 1.555556 -0.1000000 2.800000  -2.100000 3.500000   11.66264 5.193478   11.32969   5.317928 0.3329487 7.433208 
1 1 1  -37   11   12 o 28.63041 4.100466  11.52027 1.828378   12.10000 3.300000   10.80000 4.100000   30.47588 4.728218   26.78495   6.700689 3.690926 8.200932 
1 1 1  -37   11   13 o 22.95359 4.531021  7.822535 1.715493   7.700000 2.900000   8.000000 4.200000   23.46288 5.493829   22.44431   7.206834 1.018578 9.062042 
1 1 1  -36    0    1 o 24.96673 2.703771  7.400000 1.500000   7.400000 1.500000   7.400000 1.500000   24.96673 2.703771   24.96673   2.703771 -0.000000 0.000000 
1 1 1  -36    0    2 o 188.5249 2.479270  407.8000 10.70000   407.8000 10.70000   407.8000 10.70000   188.5249 2.479270   188.5249   2.479270 0.000000 0.000000 
1 1 1  -36    0    3 o 109.3753 1.837616  137.2000 4.600000   137.2000 4.600000   137.2000 4.600000   109.3753 1.837616   109.3753   1.837616 0.000000 0.000000 
1 1 1  -36    0    4 o 140.7354 2.017674  227.1000 6.500000   227.1000 6.500000   227.1000 6.500000   140.7354 2.017674   140.7354   2.017674 0.000000 0.000000 
1 1 1  -36    0    5 o 11.10029 4.679788  2.000000 1.200000   2.000000 1.200000   2.000000 1.200000   11.10029 4.679788   11.10029   4.679788 0.000000 0.000000 
1 1 1  -36    0    6 o 88.91342 1.277461  90.60000 2.600000   90.60000 2.600000   90.60000 2.600000   88.91342 1.277461   88.91342   1.277461 -0.000000 0.000000 
1 1 1  -36    0    7 o 5.762434 3.437216 0.4000000 0.8000000  0.4000000 0.8000000  0.4000000 0.8000000   5.762434 3.437216   5.762434   3.437216 0.000000 0.000000 
1 1 1  -36    0    8 o 232.6294 2.628621  620.4000 14.00000   620.4000 14.00000   620.4000 14.00000   232.6294 2.628621   232.6294   2.628621 0.000000 0.000000 
1 1 1  -36    0    9 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -36    0   10 o 68.51831 1.020164  53.80000 1.600000   53.80000 1.600000   53.80000 1.600000   68.51831 1.020164   68.51831   1.020164 -0.000000 0.000000 
1 1 1  -36    0   11 o 122.5443 1.639757  172.1000 4.600000   172.1000 4.600000   172.1000 4.600000   122.5443 1.639757   122.5443   1.639757 -0.000000 0.000000 
1 1 1  -36    0   12 o 27.80010 2.068226  9.000000 1.300000   9.000000 1.300000   9.000000 1.300000   27.80010 2.068226   27.80010   2.068226 0.000000 0.000000 
1 1 1  -36    0   13 o 282.3221 3.403766  914.4000 22.00000   914.4000 22.00000   914.4000 22.00000   282.3221 3.403766   282.3221   3.403766 -0.000000 0.000000 
1 1 1  -36    0   14 o 207.0047 2.679953  491.4000 12.70000   491.4000 12.70000   491.4000 12.70000   207.0047 2.679953   207.0047   2.679953 0.000000 0.000000 
1 1 1  -36    0   15 o 191.7894 2.482593  421.8000 10.90000   421.8000 10.90000   421.8000 10.90000   191.7894 2.482593   191.7894   2.482593 0.000000 0.000000 
1 1 1  -36    0   16 o 110.5824 1.698843  140.2000 4.300000   140.2000 4.300000   140.2000 4.300000   110.5824 1.698843   110.5824   1.698843 -0.000000 0.000000 
1 1 1  -36    0   17 o 104.9740 1.873193  126.4000 4.500000   126.4000 4.500000   126.4000 4.500000   104.9740 1.873193   104.9740   1.873193 -0.000000 0.000000 
1 1 1  -36    0   18 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -36    0   19 o 159.1667 2.387961  290.8000 8.700000   290.8000 8.700000   290.8000 8.700000   159.1667 2.387961   159.1667   2.387961 0.000000 0.000000 
1 1 1  -36    0   20 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -36    0   21 o 120.6225 1.919708  167.0000 5.300000   167.0000 5.300000   167.0000 5.300000   120.6225 1.919708   120.6225   1.919708 -0.000000 0.000000 
1 1 1  -36    0   22 o 68.03846 2.122546  53.30000 3.300000   53.30000 3.300000   53.30000 3.300000   68.03846 2.122546   68.03846   2.122546 0.000000 0.000000 
1 1 1  -36    0   23 o 149.4932 2.191745  256.9000 7.500000   256.9000 7.500000   256.9000 7.500000   149.4932 2.191745   149.4932   2.191745 0.000000 0.000000 
1 1 1  -36    0   24 o 46.50988 2.744532  25.20000 2.900000   25.20000 2.900000   25.20000 2.900000   46.50988 2.744532   46.50988   2.744532 -0.000000 0.000000 
1 1 1  -36    0   25 o 51.90667 2.537529  31.30000 3.000000   31.30000 3.000000   31.30000 3.000000   51.90667 2.537529   51.90667   2.537529 -0.000000 0.000000 
1 1 1  -36    0   26 o 47.18920 3.274879  26.30000 3.500000   26.30000 3.500000   26.30000 3.500000   47.18920 3.274879   47.18920   3.274879 -0.000000 0.000000 
1 1 1  -36    0   27 o 6.840067 4.615591 -0.8000000 2.100000 -0.8000000 2.100000 -0.8000000 2.100000   6.840067 4.615591   6.840067   4.615591 0.000000 0.000000 
1 1 1  -36    0   28 o 69.92428 2.505175  57.00000 4.000000   57.00000 4.000000   57.00000 4.000000   69.92428 2.505175   69.92428   2.505175 -0.000000 0.000000 
1 1 1  -36    0   29 o 41.97934 3.487959  21.30000 3.300000   21.30000 3.300000   21.30000 3.300000   41.97934 3.487959   41.97934   3.487959 -0.000000 0.000000 
1 1 1  -36    2    1 o 17.46667 3.196274  3.687500 0.8775000   4.500000 1.300000   2.000000 2.700000   19.77122 2.871109   15.16213   5.711516 4.609087 6.392549 
1 1 1  -36    2    2 o 31.43689 2.436305  11.71818 0.8727273   12.10000 1.200000   10.70000 3.200000   32.48351 1.613088   30.39026   4.597855 2.093252 4.872609 
1 1 1  -36    2    3 o 111.9829 1.616307  144.2000 2.466667   144.7000 3.700000   143.2000 7.400000   112.3585 1.437923   111.6074   2.895199 0.7510681 3.232615 
1 1 1  -36    2    4 o 59.34597 1.366694  40.85833 0.9916667   41.50000 1.400000   39.30000 3.400000   60.18840 1.015675   58.50353   2.537678 1.684875 2.733387 
1 1 1  -36    2    5 o 39.55154 1.687063  18.08158 0.6868421   18.20000 0.9000000   17.70000 2.900000   39.86065 0.9859115   39.24244   3.226872 0.6182060 3.374126 
1 1 1  -36    2    6 o 116.9012 1.901673  156.7097 3.597222   148.3000 7.000000   165.6000 7.400000   113.6774 2.688831   120.1250   2.689912 -6.447578 3.803346 
1 1 1  -36    2    7 o 124.9718 2.025947  179.2500 4.100000   179.8000 8.200000   178.7000 8.200000   125.1640 2.860713   124.7796   2.869524 0.3843536 4.051895 
1 1 1  -36    2    8 o 105.9215 1.733607  128.3294 2.964706   136.8000 6.300000   120.8000 5.600000   109.2094 2.518953   102.6335   2.382530 6.575897 3.467214 
1 1 1  -36    2    9 o 138.0839 2.093492  218.1727 4.636364   226.9000 10.20000   210.9000 8.500000   140.5854 3.168106   135.5825   2.737506 5.002945 4.186984 
1 1 1  -36    2   10 o 57.34561 1.861295  37.77971 1.724638   39.80000 3.400000   35.70000 3.500000   58.90804 2.520253   55.78318   2.739709 3.124855 3.722590 
1 1 1  -36    2   11 o 212.9980 2.978506  521.3949 10.26131   540.0000 21.30000   504.1000 19.80000   216.6420 4.293157   209.3541   4.129746 7.287857 5.957013 
1 1 1  -36    2   12 o 78.73248 1.344683  71.07143 1.285714   71.00000 4.500000   71.10000 1.800000   78.67679 2.497500   78.78817  0.9975880 -0.1113815 2.689366 
1 1 1  -36    2   13 o 115.3187 1.597879  152.1894 2.488496   153.4000 7.600000   151.6000 3.700000   115.6073 2.870570   115.0302   1.404526 0.5771255 3.195757 
1 1 1  -36    2   14 o 57.43868 1.700059  37.60345 1.158621   38.40000 4.200000   37.30000 1.600000   57.81688 3.172008   57.06048   1.224403 0.7564049 3.400117 
1 1 1  -36    2   15 o 120.3382 1.761708  167.7046 3.013740   161.1000 8.400000   171.4000 4.700000   118.3960 3.098003   122.2803   1.678344 -3.884277 3.523416 
1 1 1  -36    2   16 o 194.9954 2.227746  436.6185 6.157407   439.6000 17.50000   435.0000 9.500000   195.2776 3.913140   194.7132   2.130434 0.5644226 4.455492 
1 1 1  -36    2   17 o 157.9831 1.961262  283.7846 4.487179   298.4000 12.50000   275.6000 7.000000   160.9745 3.390725   154.9917   1.972101 5.982758 3.922525 
1 1 1  -36    2   18 o 125.1296 1.747620  182.0830 3.121482   172.4000 8.600000   187.6000 4.900000   122.3664 3.068853   127.8929   1.672974 -5.526558 3.495240 
1 1 1  -36    2   19 o 56.40812 1.450566  36.52264 1.324528   35.10000 2.600000   38.00000 2.700000   55.28862 2.053418   57.52761   2.049402 -2.238995 2.901133 
1 1 1  -36    2   20 o 67.67702 1.346381  52.60000 1.474576   55.60000 3.000000   49.70000 2.900000   69.57682 1.882766   65.77721   1.925140 3.799606 2.692763 
1 1 1  -36    2   21 f 118.8924 1.493546  162.5513 2.874783   168.2000 5.800000   157.0000 5.700000   120.9447 2.094020   116.8401   2.130210 4.104576 2.987091 
1 1 1  -36    2   22 o 28.13130 3.054513  10.23469 1.220408   5.300000 2.600000   14.60000 2.300000   20.74018 5.415426   35.52243   2.827254 -14.78225 6.109027 
1 1 1  -36    2   23 o 33.93825 2.414178  13.42830 1.324528   14.60000 2.700000   12.30000 2.600000   35.40639 3.329828   32.47011   3.496465 2.936279 4.828356 
1 1 1  -36    2   24 o 12.09443 3.738507 -0.6842105 1.421053   1.000000 3.000000  -2.200000 2.700000   13.98116 5.773064   10.20770   4.751576 3.773462 7.477014 
1 1 1  -36    2   25 o 62.73811 1.684004  45.87206 1.698529   49.90000 3.300000   41.60000 3.500000   65.65032 2.194910   59.82589   2.554575 5.824432 3.368009 
1 1 1  -36    2   26 o 30.68484 2.827510  11.45000 1.400000   12.50000 2.800000   10.40000 2.800000   32.17903 3.799485   29.19066   4.188455 2.988373 5.655019 
1 1 1  -36    2   27 o 37.01748 2.532701  17.23750 1.312500   14.30000 3.500000   19.00000 2.100000   33.77960 4.524320   40.25537   2.277903 -6.475769 5.065403 
1 1 1  -36    2   28 o 68.57301 1.779568  55.43671 1.972152   55.80000 4.100000   55.10000 3.800000   68.71834 2.605259   68.42770   2.424886 0.2906418 3.559136 
1 1 1  -36    2   29 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -36    4    1 o 104.3912 1.527205  125.7800 2.356000   127.3000 3.800000   123.3000 6.200000   105.3239 1.575420   103.4585   2.616767 1.865356 3.054410 
1 1 1  -36    4    2 o 64.19500 1.753848  46.49131 1.460870   45.00000 2.100000   49.90000 4.800000   62.63656 1.463966   65.75344   3.187590 -3.116882 3.507696 
1 1 1  -36    4    3 o 43.26900 1.805586  23.00000 1.000000   25.60000 1.500000   17.80000 3.000000   47.25333 1.386113   39.28466   3.334555 7.968666 3.611172 
1 1 1  -36    4    4 o 116.8028 1.587756  157.3026 2.638261   158.8000 4.100000   154.6000 7.400000   117.6813 1.521305   115.9244   2.787383 1.756874 3.175511 
1 1 1  -36    4    5 o 70.56896 1.643669  58.64493 1.498551   61.10000 2.200000   53.40000 4.700000   73.01366 1.315704   68.12427   3.012560 4.889389 3.287338 
1 1 1  -36    4    6 o 78.06943 1.521876  70.32917 1.565278   71.00000 2.300000   68.90000 4.900000   78.71225 1.275925   77.42661   2.763411 1.285637 3.043752 
1 1 1  -36    4    7 o 81.24679 1.533841  76.04000 1.594667   76.50000 2.300000   75.00000 5.200000   81.70820 1.229142   80.78538   2.810673 0.9228210 3.067682 
1 1 1  -36    4    8 o 64.00423 1.529416  46.06886 1.344262   44.20000 2.000000   49.90000 4.100000   62.10208 1.406253   65.90639   2.716414 -3.804317 3.058832 
1 1 1  -36    4    9 o 58.53282 1.001258  38.96579 0.9394737   35.70000 1.700000   43.00000 2.100000   55.81526 1.329951   61.25038   1.497098 -5.435116 2.002517 
1 1 1  -36    4   10 o 174.4378 1.654928  349.1604 4.673797   358.0000 9.500000   340.6000 9.200000   176.6090 2.348824   172.2666   2.331989 4.342438 3.309856 
1 1 1  -36    4   11 o 48.32323 1.150592  26.60000 0.8888889   25.00000 1.600000   28.60000 2.000000   46.70289 1.495946   49.94356   1.748599 -3.240669 2.301185 
1 1 1  -36    4   12 o 39.16503 1.398459  17.48000 0.8400000   17.00000 1.400000   18.20000 2.100000   38.50934 1.587456   39.82072   2.302766 -1.311375 2.796918 
1 1 1  -36    4   13 o 66.96912 1.152674  51.00800 1.232000   47.40000 2.200000   55.60000 2.800000   64.30571 1.493870   69.63254   1.755842 -5.326828 2.305348 
1 1 1  -36    4   14 o 59.27390 1.275620  40.14898 1.220408   44.50000 2.600000   36.30000 2.300000   62.28840 1.822661   56.25939   1.785141 6.029007 2.551239 
1 1 1  -36    4   15 o 55.39843 1.424962  35.29020 1.274510   33.20000 2.600000   37.30000 2.500000   53.78018 2.111012   57.01667   1.914599 -3.236488 2.849923 
1 1 1  -36    4   16 o 204.3853 1.994171  480.6754 6.599621   490.6000 13.30000   470.9000 13.10000   206.4821 2.812607   202.2886   2.827741 4.193466 3.988343 
1 1 1  -36    4   17 o 129.1124 1.520249  191.6134 3.173228   186.7000 6.500000   196.3000 6.200000   127.4797 2.226445   130.7452   2.070646 -3.265450 3.040498 
1 1 1  -36    4   18 o 103.1125 1.436913  121.9812 2.395833   115.8000 4.600000   128.7000 5.000000   100.3959 2.000699   105.8291   2.063026 -5.433235 2.873826 
1 1 1  -36    4   19 o 78.06381 1.444580  70.07260 1.824658   71.70000 3.600000   68.40000 3.700000   78.99075 1.990059   77.13688   2.094495 1.853867 2.889160 
1 1 1  -36    4   20 o 29.47843 2.477107  10.13192 1.170213   10.60000 2.200000   9.600000 2.500000   30.24598 3.176104   28.71089   3.802184 1.535093 4.954214 
1 1 1  -36    4   21 o 12.30818 3.299902 0.5232559 1.060465  -2.100000 2.400000   2.600000 1.900000   9.610618 4.475708   15.00574   4.850305 -5.395118 6.599805 
1 1 1  -36    4   22 o 38.78381 1.910965  17.45000 1.200000   17.10000 2.400000   17.80000 2.400000   38.38976 2.729830   39.17787   2.674916 -0.7881088 3.821930 
1 1 1  -36    4   23 o 42.24236 1.982711  20.71296 1.342593   25.60000 2.900000   16.50000 2.500000   46.88931 2.700622   37.59541   2.903655 9.293903 3.965422 
1 1 1  -36    4   24 o 134.4688 1.722039  209.8480 3.744000   216.4000 7.800000   203.8000 7.200000   136.4366 2.496338   132.5010   2.372756 3.935577 3.444078 
1 1 1  -36    4   25 o 19.97625 3.780517  5.265385 1.298077   6.900000 2.500000   3.500000 2.700000   23.18007 4.864484   16.77242   5.788438 6.407640 7.561033 
1 1 1  -36    4   26 o 39.64188 2.588828  18.88636 1.595455   17.70000 2.700000   20.60000 3.900000   38.48682 3.063314   40.79694   4.174233 -2.310127 5.177655 
1 1 1  -36    4   27 o 57.13898 1.915833  38.32000 1.680000   36.80000 2.800000   40.60000 4.200000   56.06971 2.180567   58.20825   3.150681 -2.138538 3.831666 
1 1 1  -36    4   28 o 28.31753 3.825856  12.02000 1.560000   15.50000 2.600000   6.800000 3.900000   35.68921 3.181091   20.94585   6.959121 14.74336 7.651713 
1 1 1  -36    6    1 o 72.96599 1.357392  61.32500 1.593750   61.70000 3.000000   60.90000 3.400000   73.23036 1.788833   72.70161   2.042089 0.5287552 2.714783 
1 1 1  -36    6    2 o 32.48062 2.320404  12.74130 1.115217   14.60000 1.900000   10.10000 2.700000   35.57796 2.331912   29.38328   4.012391 6.194687 4.640808 
1 1 1  -36    6    3 o 45.90687 1.714815  24.64800 1.242000   27.50000 2.300000   21.30000 2.700000   48.88080 2.054609   42.93293   2.746078 5.947865 3.429631 
1 1 1  -36    6    4 o 32.59797 2.293891  12.70000 1.150000   17.20000 2.300000   8.200000 2.300000   38.62581 2.600099   26.57013   3.779844 12.05568 4.587781 
1 1 1  -36    6    5 o 52.38902 1.483315  31.53200 1.232000   31.40000 2.200000   31.70000 2.800000   52.28811 1.837213   52.48992   2.329281 -0.2018051 2.966631 
1 1 1  -36    6    6 o 95.28683 1.425961  104.3500 2.200000   102.3000 4.400000   106.4000 4.400000   94.34741 2.036397   96.22626   1.996636 -1.878845 2.851923 
1 1 1  -36    6    7 o 37.31404 1.683542  16.19500 0.9900000   17.50000 1.800000   14.60000 2.200000   39.02782 2.013900   35.60026   2.698418 3.427559 3.367084 
1 1 1  -36    6    8 f 72.56758 1.255840  60.39661 1.471186   59.40000 2.800000   61.50000 3.100000   71.94466 1.699414   73.19049   1.849468 -1.245827 2.511680 
1 1 1  -36    6    9 o 30.26081 1.835670  10.50833 0.8972222   9.800000 1.700000   11.30000 1.900000   29.18676 2.543330   31.33485   2.647681 -2.148083 3.671341 
1 1 1  -36    6   10 f 15.75840 3.155259  2.950000 0.8500000   3.500000 1.700000   2.400000 1.700000   17.04470 4.342759   14.47211   4.578547 2.572590 6.310519 
1 1 1  -36    6   11 o 113.0310 1.462215  146.7682 2.672897   147.4000 5.200000   146.1000 5.500000   113.2920 2.004213   112.7701   2.129652 0.5219193 2.924429 
1 1 1  -36    6   12 o 55.57162 1.472104  35.40944 1.320755   33.90000 2.500000   37.10000 2.800000   54.32507 2.009460   56.81816   2.151843 -2.493092 2.944207 
1 1 1  -36    6   13 o 47.70223 1.443393  26.06818 1.063636   25.70000 1.800000   26.60000 2.600000   47.32006 1.660990   48.08440   2.361070 -0.7643433 2.886786 
1 1 1  -36    6   14 o 60.74537 1.397803  42.39091 1.374545   41.90000 2.700000   42.90000 2.800000   60.38976 1.952271   61.10098   2.001011 -0.7112160 2.795605 
1 1 1  -36    6   15 o 51.32076 1.563421  30.04423 1.282692   27.70000 2.300000   33.00000 2.900000   49.09204 2.045768   53.54949   2.364735 -4.457451 3.126842 
1 1 1  -36    6   16 o 42.17300 1.764880  20.51667 1.191667   20.30000 2.600000   20.70000 2.200000   41.94300 2.706784   42.40299   2.265510 -0.4599876 3.529761 
1 1 1  -36    6   17 o 44.20959 1.726329  22.51428 1.200000   22.30000 2.100000   22.80000 2.800000   44.00951 2.083591   44.40968   2.753088 -0.4001694 3.452658 
1 1 1  -36    6   18 o 16.64009 4.665555  1.898667 1.818667   3.600000 4.400000  0.7000000 3.100000   19.28535 7.284983   13.99483   5.830834 5.290528 9.331109 
1 1 1  -36    6   19 o 48.84102 1.776889  27.60179 1.398214   23.60000 2.700000   31.90000 2.900000   45.14857 2.611316   52.53348   2.410469 -7.384911 3.553777 
1 1 1  -36    6   20 o 65.47343 1.701823  49.68611 1.794444   50.30000 3.400000   49.00000 3.800000   65.94838 2.251202   64.99847   2.552819 0.9499054 3.403645 
1 1 1  -36    6   21 o 45.76621 1.960102  24.40000 1.448276   21.60000 2.800000   27.40000 3.000000   43.02759 2.841520   48.50483   2.700697 -5.477242 3.920204 
1 1 1  -36    6   22 o 49.97667 1.882798  29.00328 1.514754   31.60000 3.300000   26.80000 2.800000   51.99485 2.771362   47.95848   2.549367 4.036377 3.765597 
1 1 1  -36    6   23 o 22.00692 4.116949  6.470492 1.524590   4.700000 3.000000   8.300000 3.100000   18.89438 6.093400   25.11946   5.537829 -6.225077 8.233898 
1 1 1  -36    6   24 o 23.14301 3.890380  7.259322 1.474576   4.900000 2.900000   9.700000 3.000000   18.98221 5.977197   27.30381   4.981298 -8.321600 7.780759 
1 1 1  -36    6   25 o 28.00422 3.520555  10.13548 1.548387   12.20000 3.200000   8.200000 3.000000   31.24170 4.472548   24.76674   5.438156 6.474964 7.041110 
1 1 1  -36    6   26 o 23.28920 4.028898  7.700000 1.550000   5.400000 3.100000   10.00000 3.100000   19.34476 6.189467   27.23365   5.159318 -7.888891 8.057796 
1 1 1  -36    8    1 o 21.49694 3.563936  5.877551 1.212245   4.800000 2.200000   7.200000 2.700000   19.33086 4.948463   23.66301   5.130230 -4.332151 7.127872 
1 1 1  -36    8    2 o 29.93556 3.121597  10.98276 1.443103   12.10000 2.700000   9.700000 3.100000   31.97782 3.686843   27.89331   5.038318 4.084511 6.243193 
1 1 1  -36    8    3 o 22.60817 4.848318  6.367901 1.765432   6.400000 2.600000   6.300000 5.500000   22.56155 5.145990   22.65478   8.218488 -0.9322548E-01 9.696636 
1 1 1  -36    8    4 o 34.54168 2.315573  14.15294 1.270588   15.80000 2.400000   12.30000 2.700000   36.80275 2.847546   32.28062   3.652260 4.522129 4.631146 
1 1 1  -36    8    5 o 23.02939 3.241815  6.350000 1.181250   3.900000 2.100000   9.500000 2.700000   17.74697 4.969561   28.31180   4.164242 -10.56483 6.483629 
1 1 1  -36    8    6 o 55.71070 1.699492  36.05082 1.521312   38.00000 2.900000   33.90000 3.200000   57.34671 2.208153   54.07469   2.584019 3.272018 3.398984 
1 1 1  -36    8    7 o 31.91018 2.363883  11.65714 1.200000   9.300000 2.100000   14.80000 2.800000   28.23745 3.247383   35.58291   3.436025 -7.345461 4.727765 
1 1 1  -36    8    8 o 78.21802 1.365440  70.59130 1.721739   68.40000 3.600000   72.60000 3.300000   77.02494 2.040849   79.41109   1.814565 -2.386147 2.730881 
1 1 1  -36    8    9 o 89.13252 1.455774  91.53809 2.098809   84.90000 4.100000   98.50000 4.300000   85.81530 2.086214   92.44975   2.030965 -6.634453 2.911547 
1 1 1  -36    8   10 o 46.28000 1.902239  24.80526 1.424561   25.10000 2.800000   24.50000 2.900000   46.57211 2.625257   45.98789   2.753558 0.5842133 3.804479 
1 1 1  -36    8   11 o 39.58366 1.904612  17.82857 1.200000   15.00000 2.100000   21.60000 2.800000   36.00885 2.546536   43.15847   2.832903 -7.149628 3.809223 
1 1 1  -36    8   12 o 36.16484 2.296699  14.94074 1.320370   12.30000 2.300000   18.50000 3.100000   32.51688 3.088579   39.81281   3.399997 -7.295929 4.593397 
1 1 1  -36    8   13 o 25.95812 2.949704  8.095745 1.161702   4.700000 2.100000   12.30000 2.600000   19.49615 4.747630   32.42010   3.501860 -12.92395 5.899407 
1 1 1  -36    8   14 o 21.43631 4.905886  5.170513 1.698718   8.500000 5.300000   3.600000 2.500000   25.54843 8.084438   17.32420   5.559922 8.224230 9.811772 
1 1 1  -36    8   15 o 79.97375 1.485362  73.63116 1.916883   67.60000 3.600000   80.50000 4.100000   76.49976 2.054859   83.44773   2.145404 -6.947968 2.970725 
1 1 1  -36    8   16 o 87.71779 1.467353  89.06747 2.060241   89.80000 3.800000   88.20000 4.500000   88.19035 1.881491   87.24523   2.252218 0.9451141 2.934706 
1 1 1  -36    8   17 o 56.81795 1.524820  37.33214 1.398214   32.80000 2.700000   42.20000 2.900000   53.22710 2.214984   60.40879   2.096223 -7.181698 3.049641 
1 1 1  -36    8   18 o 11.70557 3.619312 -0.1884615 1.282692 -0.1000000 2.300000 -0.3000000 2.900000   11.15978 4.845563   12.25137   5.377564 -1.091595 7.238624 
1 1 1  -36    8   19 o 26.72752 3.373453  9.085714 1.392857   10.20000 2.600000   7.800000 3.000000   29.05516 3.907417   24.39989   5.500257 4.655270 6.746905 
1 1 1  -36    8   20 o 15.41088 3.959186  2.678846 1.298077   3.400000 2.500000   1.900000 2.700000   16.51324 5.572583   14.30851   5.625561 2.204733 7.918372 
1 1 1  -36    8   21 o 46.76004 2.228303  25.83284 1.611940   24.10000 2.700000   28.40000 4.000000   45.16582 2.610319   48.35427   3.612143 -3.188446 4.456606 
1 1 1  -36    8   22 o 15.97543 3.806744  2.700000 1.350000 -0.2000000 2.700000   5.600000 2.700000   11.62515 5.142136   20.32571   5.614591 -8.700564 7.613487 
1 1 1  -36    8   23 o 29.13526 3.123168  10.67288 1.464407   9.300000 2.700000   12.30000 3.200000   27.14815 4.342733   31.12237   4.489697 -3.974218 6.246336 
1 1 1  -36   10    1 o 14.69770 4.121817 0.8169014 1.766197   5.000000 3.300000  -4.000000 3.800000   18.60759 6.400638   10.78781   5.195126 7.819787 8.243633 
1 1 1  -36   10    2 o 18.52718 4.325122  4.713115 1.524590   3.900000 3.100000   5.500000 3.000000   17.22035 6.180454   19.83401   6.052167 -2.613659 8.650245 
1 1 1  -36   10    3 o 36.31075 3.103207  16.38493 1.816438   15.50000 3.400000   17.40000 3.900000   35.38851 4.195235   37.23298   4.573792 -1.844471 6.206414 
1 1 1  -36   10    4 o 38.33298 2.791617  18.20000 1.700000   22.00000 3.400000   14.40000 3.400000   42.66161 3.480017   34.00435   4.366004 8.657265 5.583235 
1 1 1  -36   10    5 o 11.42689 3.552803     -0.07 1.262745  0.2000000 2.300000 -0.4000000 2.800000   11.24233 4.863454   11.61145   5.180391 -0.3691149 7.105606 
1 1 1  -36   10    6 o 16.22356 3.987938  2.896610 1.454237   5.100000 2.600000  0.1000000 3.300000   19.45137 5.558848   12.99575   5.719598 6.455617 7.975876 
1 1 1  -36   10    7 o 13.77664 3.900307  1.053571 1.383929  -1.000000 2.500000   3.600000 3.100000   10.49607 4.769281   17.05721   6.172807 -6.561136 7.800615 
1 1 1  -36   10    8 o 17.53320 4.377666  3.840322 1.543548   3.700000 2.900000   4.000000 3.300000   17.19805 5.995368   17.86835   6.380548 -0.6703053 8.755332 
1 1 1  -36   10    9 o 15.80861 3.940420  2.772222 1.342593   1.000000 2.900000   4.300000 2.500000   13.44701 5.624219   18.17021   5.520489 -4.723200 7.880840 
1 1 1  -36   10   10 o 13.30969 3.876575  1.150000 1.350000   1.400000 2.700000  0.9000000 2.700000   13.62520 5.533984   12.99419   5.430133 0.6310129 7.753150 
1 1 1  -36   10   11 o 23.41860 4.071084  7.338710 1.509677   7.800000 2.600000   6.700000 3.600000   24.74258 4.761305   22.09462   6.604911 2.647957 8.142167 
1 1 1  -36   10   12 o 73.69029 1.825154  63.64713 2.160919   61.90000 4.000000   65.70000 4.700000   72.71689 2.401953   74.66370   2.748705 -1.946808 3.650309 
1 1 1  -36   10   13 o 28.88863 3.320753  10.39667 1.473333   6.800000 2.600000   15.10000 3.400000   22.77216 5.110964   35.00510   4.241186 -12.23294 6.641507 
1 1 1  -36   10   14 o 10.84836 3.459812 -0.8500000 1.300000  -1.700000 2.600000   0.000000 2.600000   10.06569 4.677892   11.63103   5.098876 -1.565344 6.919625 
1 1 1  -36   10   15 o 22.98524 3.717687  7.032727 1.370909   9.300000 2.900000   5.000000 2.600000   26.74069 4.916669   19.22979   5.577738 7.510899 7.435374 
1 1 1  -36   10   16 o 33.99511 2.973810  14.14769 1.606154   10.40000 2.900000   18.80000 3.600000   28.89262 4.382791   39.09759   4.020612 -10.20497 5.947619 
1 1 1  -36   10   17 o 26.74387 3.306348  9.078571 1.392857   10.90000 3.000000   7.500000 2.600000   29.53145 4.435843   23.95630   4.904187 5.575153 6.612697 
1 1 1  -36   10   18 o 26.85099 4.580960  10.45000 2.000000   8.100000 4.000000   12.80000 4.000000   23.28278 6.962663   30.41919   5.955006 -7.136414 9.161920 
1 1 1  -36   10   19 o 26.36922 4.346158  10.01096 1.816438   11.40000 3.900000   8.800000 3.400000   28.05385 6.232306   24.68460   6.059268 3.369251 8.692316 
1 1 1  -35    1    1 o 211.2525 2.322864  512.0218 7.086645   507.9000 11.10000   519.3000 19.60000   210.3481 2.304221   212.1569   4.034025 -1.808823 4.645729 
1 1 1  -35    1    2 o 21.44799 2.786453  6.270588 0.7764706   8.000000 1.200000   3.100000 2.200000   26.41142 1.983943   16.48457   5.207808 9.926855 5.572907 
1 1 1  -35    1    3 o 35.28160 2.105765  15.14286 0.8571429   16.20000 1.200000   12.50000 3.000000   37.60228 1.393500   32.96092   3.974310 4.641357 4.211529 
1 1 1  -35    1    4 o 117.6368 1.690243  158.2165 2.606611   157.4000 3.800000   160.0000 8.300000   117.2122 1.415632   118.0613   3.069800 -0.8491135 3.380486 
1 1 1  -35    1    5 o 109.2076 1.325318  135.6835 2.103297   133.0000 3.300000   140.4000 5.800000   107.7510 1.337311   110.6641   2.288552 -2.913124 2.650636 
1 1 1  -35    1    6 o 191.7257 2.477869  421.0534 7.606514   411.5000 13.90000   432.6000 16.80000   189.3688 3.205133   194.0826   3.779743 -4.713867 4.955738 
1 1 1  -35    1    7 o 226.7147 2.764837  590.2212 10.14778   592.2000 20.60000   588.3000 20.00000   227.0807 3.961200   226.3487   3.858261 0.7319183 5.529674 
1 1 1  -35    1    8 o 118.6071 1.797679  161.3652 3.449275   165.8000 6.800000   156.8000 7.000000   120.2657 2.468918   116.9484   2.613626 3.317337 3.595358 
1 1 1  -35    1    9 o 244.3951 3.266480  686.4805 12.92108   688.2000 25.40000   684.7000 26.30000   244.7234 4.532084   244.0668   4.705294 0.6565704 6.532960 
1 1 1  -35    1   10 o 94.56409 1.735813  102.7179 2.646226   107.0000 5.100000   98.10000 5.500000   96.62259 2.304789   92.50560   2.596177 4.116989 3.471626 
1 1 1  -35    1   11 o 249.6257 3.129156  715.2982 12.63024   737.7000 26.30000   694.6000 24.30000   253.3613 4.532681   245.8902   4.315239 7.471176 6.258313 
1 1 1  -35    1   12 o 179.1116 1.912573  367.1350 4.929439   370.4000 13.70000   365.3000 7.700000   179.6702 3.329541   178.5531   1.883055 1.117035 3.825145 
1 1 1  -35    1   13 o 214.8671 2.299187  528.1945 6.970684   535.1000 20.00000   524.5000 10.70000   215.8159 4.046564   213.9183   2.184115 1.897568 4.598373 
1 1 1  -35    1   14 o 158.1976 1.750524  289.7069 4.163793   274.5000 10.50000   299.7000 6.900000   154.6772 2.964166   161.7180   1.863075 -7.040771 3.501047 
1 1 1  -35    1   15 o 113.0785 1.310718  146.5500 2.400000   148.3000 4.800000   144.8000 4.800000   113.7543 1.842525   112.4027   1.864679 1.351540 2.621436 
1 1 1  -35    1   16 o 64.50497 1.220542  47.66862 1.274510   46.10000 2.500000   49.30000 2.600000   63.42298 1.721207   65.58697   1.730994 -2.163986 2.441084 
1 1 1  -35    1   17 o 58.10985 1.328014  38.66000 1.248000   41.00000 2.600000   36.50000 2.400000   59.79749 1.898585   56.42221   1.857381 3.375286 2.656029 
1 1 1  -35    1   18 o 60.32671 1.384299  41.78519 1.348148   42.70000 2.600000   40.80000 2.800000   61.01819 1.860603   59.63522   2.050194 1.382973 2.768599 
1 1 1  -35    1   19 o 112.1530 2.452840  144.5000 6.300000   144.5000 6.300000          ?        ?   112.1530 2.452840          ?          ?       ?       ? 
1 1 1  -35    1   20 o 143.6795 2.113947  239.3456 4.554974   245.0000 7.500000   230.6000 11.60000   146.0362 2.242541   141.3228   3.584145 4.713425 4.227894 
1 1 1  -35    1   21 o 18.42621 3.568521  3.647059 1.270588   7.300000 2.700000  0.4000000 2.400000   24.57588 4.968100   12.27655   5.123997 12.29933 7.137042 
1 1 1  -35    1   22 o 130.3858 1.613710  195.7177 3.388235   194.5000 7.200000   196.8000 6.400000   129.9622 2.419108   130.8095   2.136389 -0.8473511 3.227420 
1 1 1  -35    1   23 o 73.66916 1.382768  62.31212 1.643939   65.60000 3.500000   59.40000 3.100000   75.48386 2.024667   71.85447   1.883856 3.629387 2.765536 
1 1 1  -35    1   24 o 76.22150 1.419675  66.81143 1.737143   69.20000 3.800000   64.80000 3.200000   77.43718 2.142761   75.00582   1.862922 2.431358 2.839350 
1 1 1  -35    1   25 o 54.90769 1.660789  34.05932 1.403390   40.10000 3.600000   30.20000 2.300000   58.68906 2.678459   51.12633   1.964368 7.562725 3.321579 
1 1 1  -35    1   26 o 23.77091 3.837117  7.106896 1.422414   5.900000 2.500000   8.700000 3.300000   21.53670 5.140148   26.00512   5.698487 -4.468426 7.674234 
1 1 1  -35    1   27 o 55.09357 1.811724  35.49063 1.560938   34.90000 2.700000   36.30000 3.700000   54.74244 2.153671   55.44470   2.913945 -0.7022552 3.623448 
1 1 1  -35    1   28 o 45.95777 2.237300  25.64615 1.606154   22.60000 3.600000   28.10000 2.900000   43.12782 3.644892   48.78771   2.595537 -5.659889 4.474601 
1 1 1  -35    1   29 o 82.82422 1.640540  80.88864 2.198864   81.40000 4.500000   80.40000 4.300000   83.03154 2.366514   82.61689   2.272685 0.4146500 3.281080 
1 1 1  -35    3    1 o 23.85421 2.895483  6.167441 0.9069767   5.200000 1.300000   8.400000 3.000000   21.26516 2.669405   26.44327   5.139024 -5.178110 5.790966 
1 1 1  -35    3    2 o 74.02647 1.540028  63.29855 1.498551   64.00000 2.200000   61.80000 4.700000   74.73036 1.285480   73.32258   2.798980 1.407784 3.080057 
1 1 1  -35    3    3 o 171.6716 2.003041  336.4486 4.841122   331.4000 7.400000   346.0000 14.00000   169.9873 1.900881   173.3560   3.526378 -3.368744 4.006082 
1 1 1  -35    3    4 o 104.9056 1.704449  125.4349 2.339450   124.0000 3.400000   128.6000 7.500000   104.0236 1.427207   105.7877   3.095750 -1.764107 3.408898 
1 1 1  -35    3    5 o 149.2009 1.786764  255.3342 3.655488   255.2000 5.500000   255.6000 10.90000   149.2290 1.609345   149.1729   3.190629 0.5609131E-01 3.573529 
1 1 1  -35    3    6 o 287.5270 2.830691  939.4547 11.44016   913.8000 17.40000   988.7000 33.40000   282.2122 2.692237   292.8419   4.980272 -10.62970 5.661382 
1 1 1  -35    3    7 o 124.2858 2.131250  175.9076 4.183626   166.9000 7.300000   188.0000 9.800000   120.6213 2.642643   127.9503   3.344450 -7.328934 4.262500 
1 1 1  -35    3    8 o 200.6587 2.846997  462.6632 9.240271   470.2000 19.10000   455.6000 17.90000   202.2216 4.124256   199.0959   3.925821 3.125702 5.693993 
1 1 1  -35    3    9 o 54.52504 1.778541  33.54286 1.542857   39.60000 3.600000   29.00000 2.700000   58.75775 2.675328   50.29234   2.344238 8.465416 3.557082 
1 1 1  -35    3   10 o 73.51933 1.924521  61.98791 2.241758   62.10000 5.100000   61.90000 4.000000   73.56342 3.027248   73.47524   2.377161 0.8818054E-01 3.849042 
1 1 1  -35    3   11 o 43.59235 1.640161  18.34468 0.8936170   31.60000 3.500000   13.80000 1.200000   52.47870 2.912224   34.70601   1.509789 17.77269 3.280322 
1 1 1  -35    3   12 o 202.6954 2.232208  470.5762 6.382206   475.2000 18.30000   468.1000 9.800000   203.3181 3.930202   202.0728   2.117668 1.245239 4.464415 
1 1 1  -35    3   13 o 57.28398 1.107919  37.60000 1.019512   37.60000 2.200000   37.60000 1.900000   57.28119 1.677067   57.28677   1.448235 -0.5584717E-02 2.215838 
1 1 1  -35    3   14 o 141.9224 1.524325  230.5643 3.482143   224.9000 6.500000   237.1000 7.500000   140.0597 2.026469   143.7852   2.277649 -3.725494 3.048649 
1 1 1  -35    3   15 o 85.77263 1.241915  84.31594 1.724638   82.00000 3.400000   86.70000 3.500000   84.57764 1.755347   86.96763   1.757317 -2.389992 2.483829 
1 1 1  -35    3   16 o 122.5970 1.362342  172.5444 2.696296   168.5000 5.600000   176.3000 5.200000   121.2007 2.017542   123.9933   1.831238 -2.792587 2.724685 
1 1 1  -35    3   17 o 116.3591 1.665314  155.4195 2.947968   155.3000 4.900000   155.6000 7.400000   116.3636 1.838733   116.3547   2.777074 0.8850098E-02 3.330627 
1 1 1  -35    3   18 o 119.4172 1.486541  163.6078 2.873044   169.2000 5.900000   158.3000 5.600000   121.4021 2.122098   117.4322   2.082286 3.969887 2.973082 
1 1 1  -35    3   19 o 127.5804 1.573946  187.0538 3.249231   190.5000 6.400000   183.5000 6.600000   128.7846 2.169980   126.3761   2.280440 2.408539 3.147892 
1 1 1  -35    3   20 o 81.93756 1.971431  76.97185 2.467961   75.30000 4.100000   79.50000 6.200000   80.92511 2.212281   82.95000   3.263736 -2.024895 3.942862 
1 1 1  -35    3   21 o 63.10476 1.639253  45.82388 1.674627   47.60000 3.400000   44.10000 3.300000   64.31084 2.308525   61.89868   2.327943 2.412159 3.278506 
1 1 1  -35    3   22 o 50.11592 1.765069  29.58000 1.320000   31.70000 2.200000   26.40000 3.300000   52.50037 1.829785   47.73147   3.018900 4.768902 3.530138 
1 1 1  -35    3   23 o 15.23107 3.953517  2.207843 1.192157   1.500000 1.900000   3.400000 3.200000   12.79491 4.796797   17.66723   6.285851 -4.872326 7.907034 
1 1 1  -35    3   24 o 47.56302 1.775433  26.85385 1.230769   28.70000 2.000000   23.90000 3.200000   49.90044 1.750110   45.22559   3.089622 4.674850 3.550866 
1 1 1  -35    3   25 o 24.76469 3.986501  8.100000 1.560000   10.10000 2.600000   5.100000 3.900000   29.18582 3.889924   20.34356   6.959689 8.842253 7.973003 
1 1 1  -35    3   26 o 27.49073 3.226973  8.992983 1.350877   6.600000 2.200000   12.80000 3.500000   22.89178 4.355599   32.08968   4.762581 -9.197899 6.453946 
1 1 1  -35    3   27 o 87.78523 1.711263  89.46667 2.066667   87.00000 3.100000   94.40000 6.200000   86.67429 1.561749   88.89616   3.045428 -2.221870 3.422527 
1 1 1  -35    3   28 o 11.29119 3.707119 -1.768657 1.567164 -0.5000000 2.500000  -3.900000 4.200000   10.88026 4.871611   11.70211   5.589128 -0.8218508 7.414239 
1 1 1  -35    5    1 o 183.8179 2.200826  387.7921 5.726984   382.1000 8.800000   398.4000 16.40000   182.3177 2.107627   185.3182   3.864252 -3.000549 4.401651 
1 1 1  -35    5    2 o 70.91066 2.119502  58.90682 1.789773   60.10000 2.500000   55.90000 6.300000   72.38204 1.508165   69.43929   3.961640 2.942757 4.239004 
1 1 1  -35    5    3 o 67.90875 1.363196  52.75333 1.493333   49.30000 2.800000   56.70000 3.200000   65.54073 1.865462   70.27678   1.988281 -4.736046 2.726392 
1 1 1  -35    5    4 o 84.56435 1.449733  81.98608 1.949367   81.10000 3.500000   83.10000 4.400000   84.07262 1.817830   85.05607   2.258848 -0.9834518 2.899466 
1 1 1  -35    5    5 o 24.66329 2.132003  7.000000 0.8470588   7.000000 1.800000   7.000000 1.600000   24.65606 3.187781   24.67052   2.831923 -0.1445580E-01 4.264005 
1 1 1  -35    5    6 o 54.92987 1.468411  34.36538 1.269231   32.80000 2.200000   36.50000 3.000000   53.47738 1.796356   56.38237   2.323366 -2.904987 2.936822 
1 1 1  -35    5    7 o 49.65936 1.509178  28.54167 1.197917   31.80000 2.300000   25.00000 2.500000   52.65334 1.907399   46.66538   2.339294 5.987957 3.018356 
1 1 1  -35    5    8 o 53.31216 1.363814  32.60000 1.170213   32.60000 2.200000   32.60000 2.500000   53.31789 1.801729   53.30642   2.047860 0.1147842E-01 2.727628 
1 1 1  -35    5    9 o 63.36635 1.269195  46.09039 1.298077   47.10000 2.500000   45.00000 2.700000   64.09341 1.703203   62.63929   1.882160 1.454113 2.538391 
1 1 1  -35    5   10 f 101.1561 1.478043  117.5125 2.362500   116.5000 5.400000   118.3000 4.200000   100.7433 2.340546   101.5689   1.805628 -0.8255768 2.956087 
1 1 1  -35    5   11 o 26.93261 2.184499  8.697222 0.8972222   11.20000 1.700000   5.900000 1.900000   31.23480 2.376566   22.63041   3.666071 8.604397 4.368998 
1 1 1  -35    5   12 o 65.99371 1.215740  49.73077 1.292308   46.50000 2.400000   53.50000 2.800000   63.68491 1.645563   68.30251   1.790033 -4.617592 2.431480 
1 1 1  -35    5   13 o 118.9342 1.415018  162.2477 2.722936   164.2000 5.600000   160.4000 5.300000   119.6253 2.044112   118.2431   1.957220 1.382172 2.830037 
1 1 1  -35    5   14 o 67.22664 1.262974  51.82364 1.374545   53.30000 2.800000   50.40000 2.700000   68.16634 1.793609   66.28694   1.778589 1.879402 2.525947 
1 1 1  -35    5   15 o 53.48181 1.326341  32.62174 1.141304   29.70000 2.100000   36.10000 2.500000   50.87902 1.802271   56.08459   1.946418 -5.205570 2.652683 
1 1 1  -35    5   16 f 32.67728 1.984986  12.23333 1.040476   13.00000 2.300000   11.60000 1.900000   33.59672 2.989308   31.75785   2.612415 1.838863 3.969972 
1 1 1  -35    5   17 o 107.8961 1.316535  133.6337 2.298913   132.9000 4.500000   134.4000 4.700000   107.5986 1.826188   108.1935   1.896865 -0.5949020 2.633070 
1 1 1  -35    5   18 o 41.40852 1.789395  19.72292 1.197917   19.10000 2.300000   20.40000 2.500000   40.73280 2.465604   42.08423   2.593942 -1.351433 3.578790 
1 1 1  -35    5   19 o 117.9681 1.492342  159.4632 2.828070   151.8000 5.200000   168.6000 6.200000   114.9066 1.976051   121.0297   2.236864 -6.123116 2.984684 
1 1 1  -35    5   20 o 157.0731 1.651678  284.5923 4.199405   281.0000 8.500000   288.1000 8.300000   156.0728 2.378108   158.0734   2.292763 -2.000626 3.303355 
1 1 1  -35    5   21 o 22.23922 3.777204  6.111111 1.348148   7.200000 2.800000   5.100000 2.600000   24.16801 5.212157   20.31043   5.468319 3.857578 7.554409 
1 1 1  -35    5   22 o 31.88289 2.834994  12.69623 1.301887   15.30000 2.300000   9.300000 3.000000   36.28255 2.768023   27.48324   4.948414 8.799305 5.669987 
1 1 1  -35    5   23 o 101.5305 1.552320  119.2294 2.541177   117.3000 4.800000   121.4000 5.400000   100.7146 2.081079   102.3464   2.303887 -1.631798 3.104639 
1 1 1  -35    5   24 o 12.83470 3.860135 0.4910714 1.383929   0.000000 2.500000   1.100000 3.100000   11.64981 5.055085   14.01960   5.835124 -2.369793 7.720269 
1 1 1  -35    5   25 o 25.55368 3.601373  8.103448 1.387931   6.200000 2.300000   11.00000 3.500000   22.02622 4.702661   29.08115   5.455687 -7.054930 7.202745 
1 1 1  -35    5   26 o 24.68827 4.046403  8.346875 1.598437   6.800000 3.300000   9.800000 3.100000   22.04804 6.249347   27.32851   5.141904 -5.280468 8.092807 
1 1 1  -35    5   27 o 55.20833 2.097196  36.00000 1.848000   28.30000 3.300000   45.80000 4.200000   48.59617 2.965184   61.82049   2.966583 -13.22432 4.194393 
1 1 1  -35    7    1 o 34.57241 2.950542  13.90758 1.625758   18.00000 3.700000   10.70000 2.900000   39.05151 4.137172   30.09331   4.207923 8.958206 5.901085 
1 1 1  -35    7    2 o 42.41977 2.174860  20.44576 1.440678   30.30000 3.400000   13.20000 2.500000   51.13640 2.903277   33.70313   3.238989 17.43327 4.349720 
1 1 1  -35    7    3 o 20.30680 3.373736  4.057143 1.371429 -0.7000000 2.400000   10.40000 3.200000   10.91370 4.836723   29.69989   4.704731 -18.78619 6.747472 
1 1 1  -35    7    4 o 36.34980 2.226432  15.56275 1.250980   16.90000 2.200000   13.80000 2.900000   38.26936 2.510217   34.43025   3.677880 3.839111 4.452863 
1 1 1  -35    7    5 o 69.33519 1.469551  55.24849 1.648485   52.00000 3.200000   58.70000 3.400000   67.23505 2.078232   71.43533   2.078287 -4.200279 2.939103 
1 1 1  -35    7    6 o 55.60944 1.470588  35.45283 1.320755   33.00000 2.500000   38.20000 2.800000   53.58051 2.037384   57.63836   2.121222 -4.057850 2.941176 
1 1 1  -35    7    7 o 29.37531 2.338178  9.927273 1.090909   7.200000 2.000000   13.20000 2.400000   24.94108 3.501502   33.80954   3.099643 -8.868458 4.676356 
1 1 1  -35    7    8 o 92.07332 1.563737  97.61290 2.318280   99.60000 4.400000   95.40000 4.900000   93.09035 2.063895   91.05627   2.349773 2.034081 3.127475 
1 1 1  -35    7    9 o 54.32314 1.707857  34.00000 1.500000   36.20000 3.000000   31.80000 3.000000   56.09152 2.335413   52.55474   2.492579 3.536777 3.415715 
1 1 1  -35    7   10 o 104.6160 1.448932  125.9102 2.445918   123.1000 5.100000   128.5000 4.700000   103.4733 2.152194   105.7587   1.940534 -2.285408 2.897863 
1 1 1  -35    7   11 o 49.02341 1.637649  27.65000 1.300000   28.00000 2.600000   27.30000 2.600000   49.33516 2.301211   48.71166   2.330666 0.6234970 3.275298 
1 1 1  -35    7   12 o 54.19106 1.625016  33.66842 1.414035   32.30000 2.600000   35.30000 3.100000   53.00444 2.141908   55.37769   2.444368 -2.373249 3.250031 
1 1 1  -35    7   13 o 29.68916 2.396762  10.20870 1.147826   10.40000 2.200000   10.00000 2.400000   29.99682 3.202486   29.38151   3.566785 0.6153088 4.793524 
1 1 1  -35    7   14 o 58.63551 1.582318  39.55000 1.498333   35.20000 2.900000   44.20000 3.100000   55.29447 2.290108   61.97655   2.184107 -6.682079 3.164636 
1 1 1  -35    7   15 f 49.85775 1.561775  28.77400 1.242000   30.20000 2.300000   27.10000 2.700000   51.23811 1.960083   48.47739   2.432004 2.760719 3.123551 
1 1 1  -35    7   16 o 47.82249 2.716756  27.02308 1.698718   25.80000 5.300000   27.60000 2.500000   46.71134 4.954425   48.93364   2.230859 -2.222301 5.433513 
1 1 1  -35    7   17 o 54.42621 1.564905  34.10909 1.363636   34.60000 3.000000   33.70000 2.500000   54.75404 2.392461   54.09838   2.017880 0.6556511 3.129810 
1 1 1  -35    7   18 o 21.60269 3.446455  5.888235 1.270588   2.500000 2.700000   8.900000 2.400000   15.66948 5.746974   27.53589   3.805851 -11.86641 6.892911 
1 1 1  -35    7   19 o 55.27891 1.759055  35.37619 1.571429   33.90000 3.000000   37.00000 3.300000   54.08782 2.421929   56.47000   2.551737 -2.382179 3.518111 
1 1 1  -35    7   20 o 30.85623 2.893889  10.99655 1.406897   8.100000 2.400000   15.10000 3.400000   26.11178 4.013419   35.60067   4.170234 -9.488895 5.787779 
1 1 1  -35    7   21 o 56.53648 1.724674  37.03333 1.555556   35.70000 2.800000   38.70000 3.500000   55.47742 2.203847   57.59555   2.653498 -2.118137 3.449347 
1 1 1  -35    7   22 f 46.67572 2.019820  25.71803 1.524590   23.80000 3.000000   27.70000 3.100000   44.87497 2.919153   48.47647   2.792354 -3.601501 4.039640 
1 1 1  -35    7   23 o 62.21325 1.738715  45.46000 1.744286   46.20000 3.700000   44.80000 3.300000   62.61033 2.580450   61.81617   2.331050 0.7941628 3.477430 
1 1 1  -35    7   24 o 19.99502 3.940308  5.338182 1.370909   3.400000 2.600000   7.500000 2.900000   16.34411 5.677977   23.64593   5.464859 -7.301817 7.880616 
1 1 1  -35    7   25 o 31.51785 3.247526  12.75313 1.593750   9.800000 3.000000   16.10000 3.400000   27.17832 5.004296   35.85739   4.140378 -8.679068 6.495053 
1 1 1  -35    9    1 o 22.96712 3.713721  7.028070 1.414035   4.200000 3.100000   9.400000 2.600000   18.12427 6.204929   27.80998   4.082370 -9.685715 7.427442 
1 1 1  -35    9    2 o 20.39505 4.071055  5.545000 1.485000   7.300000 2.700000   3.400000 3.300000   23.75014 5.115194   17.03997   6.334725 6.710169 8.142110 
1 1 1  -35    9    3 o 43.05444 2.294491  21.87187 1.598437   21.00000 3.100000   22.80000 3.300000   42.18380 3.208896   43.92508   3.280508 -1.741276 4.588981 
1 1 1  -35    9    4 o 34.45274 2.792272  14.03548 1.524194   13.60000 2.700000   14.60000 3.500000   33.98171 3.469431   34.92378   4.376093 -0.9420700 5.584545 
1 1 1  -35    9    5 o 58.99388 1.680693  40.45000 1.600000   36.60000 3.200000   44.30000 3.200000   56.14422 2.488769   61.84355   2.259411 -5.699329 3.361385 
1 1 1  -35    9    6 o 36.43474 2.491327  15.70175 1.414035   22.50000 3.100000   10.00000 2.600000   43.83709 3.087875   29.03240   3.910481 14.80469 4.982653 
1 1 1  -35    9    7 o 37.56806 2.518758  16.80333 1.473333   17.80000 2.600000   15.50000 3.400000   39.04602 2.907611   36.09010   4.113680 2.955917 5.037516 
1 1 1  -35    9    8 o 21.31620 4.162791  5.760000 1.498333   4.600000 2.900000   7.000000 3.100000   19.20656 5.965741   23.42585   5.807346 -4.219292 8.325583 
1 1 1  -35    9    9 f 49.48721 1.851662  29.53393 1.355357   33.60000 2.300000   23.70000 3.300000   53.97016 1.860861   45.00425   3.201843 8.965904 3.703323 
1 1 1  -35    9   10 o 30.85715 2.725917  11.21296 1.320370   11.00000 2.300000   11.50000 3.100000   30.64557 3.277176   31.06872   4.356904 -0.4231491 5.451834 
1 1 1  -35    9   11 o 96.04266 1.560472  106.7835 2.424742   100.4000 4.800000   113.3000 4.900000   93.12076 2.250787   98.96455   2.162002 -5.843796 3.120945 
1 1 1  -35    9   12 o 14.90294 4.017471  2.032727 1.352727   2.600000 2.400000   1.300000 3.100000   15.34184 5.445284   14.46405   5.908399 0.8777914 8.034943 
1 1 1  -35    9   13 o 49.54082 1.932154  28.60000 1.550000   28.90000 3.100000   28.30000 3.100000   49.80524 2.717855   49.27640   2.747024 0.5288429 3.864308 
1 1 1  -35    9   14 o 40.31709 2.408379  19.48033 1.524590   24.30000 3.000000   14.50000 3.100000   45.64049 2.870190   34.99369   3.868224 10.64680 4.816757 
1 1 1  -35    9   15 o 29.95712 2.813168  10.97600 1.242000   16.70000 2.700000   6.100000 2.300000   37.76462 3.121896   22.14962   4.680750 15.61500 5.626336 
1 1 1  -35    9   16 o 39.82043 2.293484  18.67458 1.464407   18.40000 2.700000   19.00000 3.200000   39.59156 2.977836   40.04930   3.488950 -0.4577332 4.586969 
1 1 1  -35    9   17 o 27.80503 3.053774  9.443637 1.374545   9.100000 2.700000   9.800000 2.800000   27.28931 4.320271   28.32076   4.317107 -1.031450 6.107549 
1 1 1  -35    9   18 o 36.83294 2.675998  16.14375 1.575000   14.00000 2.800000   18.90000 3.600000   34.17189 3.577905   39.49399   3.980258 -5.322098 5.351995 
1 1 1  -35    9   19 o 14.80798 3.798136  1.964286 1.355357   4.100000 2.300000  -1.100000 3.300000   17.62768 5.281554   11.98827   5.459718 5.639412 7.596272 
1 1 1  -35    9   20 o 29.63880 3.183541  10.80656 1.475410   9.700000 2.500000   12.40000 3.600000   28.14679 3.878384   31.13080   5.049541 -2.984005 6.367082 
1 1 1  -35    9   21 o 44.37377 2.309624  23.76061 1.643939   22.70000 3.500000   24.70000 3.100000   43.25437 3.533278   45.49316   2.975468 -2.238792 4.619249 
1 1 1  -35    9   22 o 28.34425 3.706480  10.81818 1.636364   10.60000 3.600000   11.00000 3.000000   27.38376 5.913514   29.30475   4.470159 -1.920992 7.412959 
1 1 1  -35   11    3 o 11.56027 3.792694 -1.761428 1.727143  -3.600000 3.900000 -0.3000000 3.100000   11.13116 5.335035   11.98937   5.392172 -0.8582134 7.585389 
1 1 1  -35   11    4 o 13.21259 3.924005 -0.9073530 1.698529   3.800000 3.300000  -5.900000 3.500000   16.99603 6.331495   9.429156   4.637180 7.566869 7.848010 
1 1 1  -35   11    5 o 19.77393 4.048665  5.360000 1.493333   7.600000 2.800000   2.800000 3.200000   23.80369 5.275027   15.74417   6.143356 8.059526 8.097329 
1 1 1  -35   11    6 o 17.53823 4.358261  3.602898 1.715942   6.200000 3.200000  0.6000000 3.700000   21.05778 6.211002   14.01868   6.115653 7.039104 8.716522 
1 1 1  -35   11    7 o 9.972265 3.346670 -2.828070 1.403509  -1.200000 3.200000  -4.100000 2.500000   11.69398 5.345296   8.250547   4.028475 3.443436 6.693340 
1 1 1  -35   11    8 o 26.52121 3.887557  9.244118 1.676471   4.700000 3.000000   15.00000 3.800000   18.62973 6.099438   34.41270   4.821749 -15.78297 7.775115 
1 1 1  -35   11    9 o 23.87337 4.176291  7.915152 1.648485   10.00000 3.200000   5.700000 3.400000   27.54071 5.265500   20.20604   6.483836 7.334673 8.352581 
1 1 1  -35   11   10 o 28.06345 3.828623  10.38676 1.698529   8.300000 3.300000   12.60000 3.500000   24.60611 5.926643   31.52079   4.848536 -6.914680 7.657246 
1 1 1  -35   11   11 o 37.10841 2.369310  17.32264 1.320755   11.30000 2.800000   22.70000 2.500000   30.30791 4.034054   43.90891   2.486148 -13.60099 4.738620 
1 1 1  -35   11   12 o 17.07856 4.423646  3.158823 1.676471  0.6000000 3.000000   6.400000 3.800000   12.98430 5.585804   21.17282   6.861003 -8.188517 8.847292 
1 1 1  -35   11   13 o 24.80691 4.144122  8.535821 1.674627   10.90000 3.300000   6.100000 3.400000   28.80183 5.194127   20.81200   6.458796 7.989828 8.288244 
1 1 1  -35   11   14 o 15.86511 4.296423  2.925806 1.509677   2.800000 2.600000   3.100000 3.600000   15.26336 5.633026   16.46686   6.488917 -1.203494 8.592847 
1 1 1  -35   11   15 o 22.92440 3.919497  7.019403 1.665672   2.300000 3.100000   12.50000 3.600000   14.89481 5.971587   30.95398   5.078385 -16.05917 7.838995 
1 1 1  -35   11   16 o 11.85080 3.881789 -1.527143 1.727143  -2.900000 3.100000  0.2000000 3.900000   10.10703 4.820201   13.59458   6.085952 -3.487549 7.763579 
1 1 1  -34    0    1 o 55.34018 1.819247  35.20000 2.300000   35.20000 2.300000   35.20000 2.300000   55.34018 1.819247   55.34018   1.819247 0.000000 0.000000 
1 1 1  -34    0    2 o 269.3553 3.275746  832.3000 20.20000   832.3000 20.20000   832.3000 20.20000   269.3553 3.275746   269.3553   3.275746 0.000000 0.000000 
1 1 1  -34    0    3 o 235.5096 2.930487  636.0000 15.80000   636.0000 15.80000   636.0000 15.80000   235.5096 2.930487   235.5096   2.930487 -0.000000 0.000000 
1 1 1  -34    0    4 o 4.903129 3.357895 -0.8000000 1.200000 -0.8000000 1.200000 -0.8000000 1.200000   4.903129 3.357895   4.903129   3.357895 -0.000000 0.000000 
1 1 1  -34    0    5 o 66.43147 1.315771  50.60000 2.000000   50.60000 2.000000   50.60000 2.000000   66.43147 1.315771   66.43147   1.315771 0.000000 0.000000 
1 1 1  -34    0    6 o 192.7442 2.447597  425.8000 10.80000   425.8000 10.80000   425.8000 10.80000   192.7442 2.447597   192.7442   2.447597 -0.000000 0.000000 
1 1 1  -34    0    7 o 293.9506 3.417633  990.7000 23.00000   990.7000 23.00000   990.7000 23.00000   293.9506 3.417633   293.9506   3.417633 -0.000000 0.000000 
1 1 1  -34    0    8 o 15.14288 1.473841  2.700000 0.5000000   2.700000 0.5000000   2.700000 0.5000000   15.14288 1.473841   15.14288   1.473841 -0.000000 0.000000 
1 1 1  -34    0    9 o 503.4659 7.931563  2918.100 91.40000   2918.100 91.40000   2918.100 91.40000   503.4659 7.931563   503.4659   7.931563 0.000000 0.000000 
1 1 1  -34    0   10 o 39.81051 1.209044  18.20000 1.100000   18.20000 1.100000   18.20000 1.100000   39.81051 1.209044   39.81051   1.209044 -0.000000 0.000000 
1 1 1  -34    0   11 o 38.31357 1.601934  16.90000 1.400000   16.90000 1.400000   16.90000 1.400000   38.31357 1.601934   38.31357   1.601934 -0.000000 0.000000 
1 1 1  -34    0   12 o 58.52819 1.419402  39.30000 1.900000   39.30000 1.900000   39.30000 1.900000   58.52819 1.419402   58.52819   1.419402 -0.000000 0.000000 
1 1 1  -34    0   13 o 219.3605 2.787837  551.6000 14.00000   551.6000 14.00000   551.6000 14.00000   219.3605 2.787837   219.3605   2.787837 -0.000000 0.000000 
1 1 1  -34    0   14 o 228.6507 2.961168  599.4000 15.50000   599.4000 15.50000   599.4000 15.50000   228.6507 2.961168   228.6507   2.961168 -0.000000 0.000000 
1 1 1  -34    0   15 o 292.6700 3.596884  982.5000 24.10000   982.5000 24.10000   982.5000 24.10000   292.6700 3.596884   292.6700   3.596884 -0.000000 0.000000 
1 1 1  -34    0   16 f 148.0655 2.035729  251.3000 6.900000   251.3000 6.900000   251.3000 6.900000   148.0655 2.035729   148.0655   2.035729 -0.000000 0.000000 
1 1 1  -34    0   17 o 78.72632 1.721275  71.10000 3.100000   71.10000 3.100000   71.10000 3.100000   78.72632 1.721275   78.72632   1.721275 -0.000000 0.000000 
1 1 1  -34    0   18 o 14.21793 6.045896  3.300000 2.000000   3.300000 2.000000   3.300000 2.000000   14.21793 6.045896   14.21793   6.045896 0.000000 0.000000 
1 1 1  -34    0   19 o 8.925120 5.378638 0.9000000 2.000000  0.9000000 2.000000  0.9000000 2.000000   8.925120 5.378638   8.925120   5.378638 0.000000 0.000000 
1 1 1  -34    0   20 o 119.8223 1.932559  164.7000 5.300000   164.7000 5.300000   164.7000 5.300000   119.8223 1.932559   119.8223   1.932559 0.000000 0.000000 
1 1 1  -34    0   21 f 225.4500 2.809373  583.8000 14.50000   583.8000 14.50000   583.8000 14.50000   225.4500 2.809373   225.4500   2.809373 0.000000 0.000000 
1 1 1  -34    0   22 o 122.6656 2.137300  172.8000 6.000000   172.8000 6.000000   172.8000 6.000000   122.6656 2.137300   122.6656   2.137300 -0.000000 0.000000 
1 1 1  -34    0   23 o 102.2720 2.051249  120.2000 4.800000   120.2000 4.800000   120.2000 4.800000   102.2720 2.051249   102.2720   2.051249 -0.000000 0.000000 
1 1 1  -34    0   24 o 60.62354 2.239790  42.40000 3.100000   42.40000 3.100000   42.40000 3.100000   60.62354 2.239790   60.62354   2.239790 -0.000000 0.000000 
1 1 1  -34    0   25 o 76.75230 2.108589  67.90000 3.700000   67.90000 3.700000   67.90000 3.700000   76.75230 2.108589   76.75230   2.108589 0.000000 0.000000 
1 1 1  -34    0   26 o 119.9813 2.294697  166.0000 6.300000   166.0000 6.300000   166.0000 6.300000   119.9813 2.294697   119.9813   2.294697 0.000000 0.000000 
1 1 1  -34    0   27 o 38.68940 4.051891  18.20000 3.500000   18.20000 3.500000   18.20000 3.500000   38.68940 4.051891   38.68940   4.051891 0.000000 0.000000 
1 1 1  -34    0   28 o 14.69728 7.008521  4.000000 2.700000   4.000000 2.700000   4.000000 2.700000   14.69728 7.008521   14.69728   7.008521 -0.000000 0.000000 
1 1 1  -34    0   29 o 35.11543 4.417665  15.40000 3.400000   15.40000 3.400000   15.40000 3.400000   35.11543 4.417665   35.11543   4.417665 -0.000000 0.000000 
1 1 1  -34    2    1 o 95.52232 1.553709  103.1129 2.098925   99.50000 3.200000   110.0000 6.100000   93.17576 1.499639   97.86888   2.721604 -4.693123 3.107418 
1 1 1  -34    2    2 o 127.6547 1.830653  185.2951 3.083916   182.4000 4.500000   191.6000 9.800000   126.1655 1.557441   129.1439   3.313538 -2.978432 3.661305 
1 1 1  -34    2    3 o 154.3671 1.925832  271.7054 4.185946   267.9000 6.400000   278.9000 12.10000   152.8933 1.827810   155.8409   3.390343 -2.947540 3.851665 
1 1 1  -34    2    4 o 197.5694 2.156788  445.7909 6.006038   441.0000 9.200000   454.8000 17.30000   196.1576 2.047964   198.9811   3.796417 -2.823517 4.313577 
1 1 1  -34    2    5 o 181.3453 2.112985  373.1356 5.152542   365.6000 7.600000   389.0000 16.00000   178.6267 1.857834   184.0640   3.795691 -5.437332 4.225969 
1 1 1  -34    2    6 o 317.1243 3.909195  1157.536 20.07422   1139.300 39.90000   1176.000 40.40000   314.6079 5.537873   319.6406   5.518984 -5.032715 7.818390 
1 1 1  -34    2    7 o 175.0082 2.232571  351.0522 6.313044   357.0000 13.20000   345.6000 12.10000   176.4181 3.267160   173.5984   3.043543 2.819778 4.465141 
1 1 1  -34    2    8 o 152.2499 2.231503  265.9000 5.500000   258.2000 11.00000   273.6000 11.00000   150.0415 3.201260   154.4583   3.109720 -4.416763 4.463006 
1 1 1  -34    2    9 o 154.6145 2.163480  274.4060 5.377315   278.1000 10.10000   270.2000 11.50000   155.7446 2.831705   153.4843   3.271700 2.260269 4.326959 
1 1 1  -34    2   10 o 109.6241 1.985530  137.7255 3.523404   141.3000 7.200000   134.3000 6.900000   111.0154 2.831973   108.2329   2.783746 2.782478 3.971060 
1 1 1  -34    2   11 o 252.4391 3.273567  732.6015 13.30206   738.9000 25.10000   725.5000 28.30000   253.6494 4.320954   251.2288   4.918772 2.420532 6.547134 
1 1 1  -34    2   12 o 263.2370 2.879284  787.5828 10.53248   821.3000 31.20000   770.4000 15.90000   267.2434 5.097852   259.2306   2.678247 8.012848 5.758568 
1 1 1  -34    2   13 o 378.7132 3.685433  1657.363 20.54005   1621.200 54.40000   1679.300 33.00000   374.9486 6.335296   382.4778   3.767450 -7.529175 7.370865 
1 1 1  -34    2   14 o 266.5687 2.749925  820.5046 10.80392   798.4000 28.50000   834.0000 17.40000   263.4718 4.723353   269.6656   2.817497 -6.193756 5.499850 
1 1 1  -34    2   15 o 32.69085 2.654513  12.70980 1.098039   11.20000 3.500000   13.40000 1.600000   31.18927 4.900074   34.19244   2.043288 -3.003174 5.309025 
1 1 1  -34    2   16 o 262.5177 2.837450  796.8069 10.79806   776.6000 29.30000   808.6000 17.10000   259.5804 4.928735   265.4550   2.812839 -5.874664 5.674901 
1 1 1  -34    2   17 o 111.2929 1.537645  141.7009 2.543519   143.5000 6.700000   140.6000 4.100000   111.8230 2.616276   110.7629   1.616327 1.060074 3.075290 
1 1 1  -34    2   18 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -34    2   19 o 53.04823 1.455629  32.30000 1.250000   31.30000 2.500000   33.30000 2.500000   52.22511 2.090261   53.87136   2.026384 -1.646259 2.911258 
1 1 1  -34    2   20 o 27.03469 2.422756  8.400000 1.500000   8.400000 1.500000          ?        ?   27.03469 2.422756          ?          ?       ?       ? 
1 1 1  -34    2   21 o 83.17978 1.497923  79.37089 1.883544   78.90000 3.100000   80.10000 4.800000   82.92389 1.632382   83.43568   2.512055 -0.5117874 2.995846 
1 1 1  -34    2   22 o 58.27594 1.627238  38.59333 1.393333   37.20000 2.200000   41.00000 3.800000   56.92380 1.687596   59.62809   2.782739 -2.704288 3.254476 
1 1 1  -34    2   23 o 27.71601 3.391162  9.463158 1.389474   10.60000 2.400000   7.900000 3.300000   30.18956 3.471316   25.24246   5.826653 4.947102 6.782324 
1 1 1  -34    2   24 o 99.56075 1.729871  115.3245 2.408491   117.0000 3.700000   112.2000 6.900000   100.8748 1.601617   98.24667   3.066698 2.628159 3.459742 
1 1 1  -34    2   25 o 82.14931 1.698561  78.95172 2.048276   81.00000 3.300000   75.60000 5.400000   83.82525 1.719012   80.47336   2.930093 3.351891 3.397123 
1 1 1  -34    2   26 o 72.25790 1.756567  62.17595 1.921519   68.40000 3.300000   53.50000 4.600000   76.93677 1.872922   67.57903   2.972252 9.357735 3.513135 
1 1 1  -34    2   27 o 43.92182 2.754929  22.72308 1.846154   20.30000 3.000000   26.60000 4.800000   41.34978 3.168019   46.49386   4.508015 -5.144085 5.509859 
1 1 1  -34    2   28 o 36.27388 3.411633  18.14179 1.591045   22.10000 2.600000   11.90000 4.100000   43.25067 2.624945   29.29709   6.298144 13.95358 6.823266 
1 1 1  -34    2   29 o 39.37147 2.997098  19.93836 1.797260   22.70000 3.200000   16.40000 4.100000   43.30230 3.226850   35.44064   5.051518 7.861656 5.994197 
1 1 1  -34    4    1 o 52.06973 1.722088  31.06364 1.210909   30.90000 1.800000   31.40000 3.700000   51.91394 1.514008   52.22551   3.093561 -0.3115730 3.444175 
1 1 1  -34    4    2 o 108.2943 1.780489  135.1793 2.851240   136.7000 4.600000   132.7000 7.500000   109.1741 1.839830   107.4144   3.048867 1.759758 3.560978 
1 1 1  -34    4    3 o 18.20105 3.649521  3.741177 1.015686   4.400000 1.400000   2.000000 3.700000   19.56208 3.125020   16.84002   6.596231 2.722061 7.299042 
1 1 1  -34    4    4 o 194.7494 2.337201  432.7050 6.299645   425.9000 9.500000   446.1000 18.70000   192.7043 2.152643   196.7946   4.149236 -4.090347 4.674401 
1 1 1  -34    4    5 o 160.6761 1.818990  291.9391 4.203804   281.2000 6.500000   311.6000 11.90000   156.6325 1.812055   164.7197   3.154577 -8.087234 3.637980 
1 1 1  -34    4    6 f 78.09798 1.647383  69.62592 1.888889   68.70000 3.000000   71.20000 5.100000   77.42731 1.691869   78.76863   2.827200 -1.341316 3.294766 
1 1 1  -34    4    7 o 35.71879 1.262763  14.65517 0.7241379   17.50000 1.500000   12.00000 1.400000   39.07964 1.676025   32.35793   1.889240 6.721714 2.525527 
1 1 1  -34    4    8 o 83.34780 1.149929  79.53548 1.543548   78.60000 2.900000   80.60000 3.300000   82.82732 1.528847   83.86828   1.718130 -1.040955 2.299857 
1 1 1  -34    4    9 o 172.5773 1.789305  341.5645 4.999500   340.1000 10.10000   343.0000 9.900000   172.2078 2.560992   172.9468   2.499553 -0.7389679 3.578609 
1 1 1  -34    4   10 o 200.8142 1.852584  462.2340 6.019917   475.2000 12.40000   450.0000 11.70000   203.5445 2.660125   198.0839   2.579149 5.460602 3.705168 
1 1 1  -34    4   11 o 29.93500 1.702449  10.14849 0.8060606   9.300000 1.400000   11.30000 1.900000   28.48275 2.146278   31.38726   2.643260 -2.904510 3.404898 
1 1 1  -34    4   12 o 176.9566 1.779779  359.1377 5.099510   357.9000 10.10000   360.4000 10.30000   176.6510 2.496577   177.2622   2.537235 -0.6112061 3.559559 
1 1 1  -34    4   13 o 110.1520 1.365480  139.4722 2.418557   132.9000 5.100000   145.4000 4.600000   107.6686 2.068335   112.6354   1.783292 -4.966835 2.730959 
1 1 1  -34    4   14 o 126.6356 1.536093  183.9000 3.150000   182.6000 6.300000   185.2000 6.300000   126.1874 2.180040   127.0839   2.164661 -0.8964996 3.072187 
1 1 1  -34    4   15 o 275.2444 2.892437  868.8588 12.35294   848.6000 21.00000   897.8000 30.00000   271.6435 3.375668   278.8453   4.697833 -7.201874 5.784874 
1 1 1  -34    4   16 o 133.1293 1.473765  203.1598 3.165354   206.8000 6.700000   199.9000 6.000000   134.2468 2.179268   132.0118   1.984624 2.234970 2.947531 
1 1 1  -34    4   17 o 132.9416 1.486371  202.7758 3.199219   198.1000 6.300000   207.6000 6.500000   131.3860 2.093780   134.4972   2.110279 -3.111130 2.972742 
1 1 1  -34    4   18 o 123.0246 1.455794  173.7388 2.899138   174.4000 5.900000   173.1000 5.700000   123.2499 2.090283   122.7994   2.026835 0.4505615 2.911588 
1 1 1  -34    4   19 o 87.33990 1.826697  88.14600 2.356000   86.10000 6.200000   89.40000 3.800000   86.42606 3.132468   88.25375   1.880140 -1.827682 3.653393 
1 1 1  -34    4   20 o 122.0473 1.429298  171.0991 2.823009   167.4000 5.500000   175.0000 5.800000   120.6994 1.989744   123.3952   2.052436 -2.695740 2.858596 
1 1 1  -34    4   21 o 48.05605 1.834878  26.67368 1.424561   28.00000 2.800000   25.30000 2.900000   49.28872 2.480562   46.82337   2.704426 2.465351 3.669756 
1 1 1  -34    4   22 o 25.94736 3.353803  7.952727 1.338182   7.200000 2.300000   9.000000 3.200000   24.80398 4.048984   27.09075   5.347682 -2.286762 6.707606 
1 1 1  -34    4   23 o 21.28523 3.392231  5.623529 1.274510   9.300000 2.500000   1.800000 2.600000   28.12711 3.881098   14.44335   5.564712 13.68376 6.784463 
1 1 1  -34    4   24 o 42.22208 2.145801  20.94138 1.448276   16.50000 2.800000   25.70000 3.000000   37.49551 3.260757   46.94864   2.790217 -9.453129 4.291602 
1 1 1  -34    4   25 o 18.83253 3.942746  4.455555 1.259259   4.900000 2.000000   3.700000 3.400000   19.78331 4.514077   17.88175   6.465608 1.901556 7.885491 
1 1 1  -34    4   26 o 72.07549 1.957675  61.07241 1.965517   60.90000 3.000000   61.40000 5.700000   72.49453 1.806990   71.65644   3.473436 0.8380890 3.915351 
1 1 1  -34    4   27 o 61.26234 1.982299  44.32692 1.903846   43.10000 3.300000   46.00000 4.500000   60.56504 2.379204   61.95965   3.171344 -1.394611 3.964597 
1 1 1  -34    4   28 o 38.32573 3.345970  19.98571 1.607143   22.70000 2.500000   15.10000 4.500000   43.81038 2.491740   32.84107   6.210740 10.96931 6.691940 
1 1 1  -34    6    1 o 14.64499 3.740788  1.640816 1.212245 -0.2000000 2.200000   3.900000 2.700000   11.02653 4.763337   18.26344   5.769282 -7.236909 7.481577 
1 1 1  -34    6    2 o 69.25517 1.493089  55.02985 1.671642   51.40000 3.200000   59.00000 3.500000   66.87134 2.089535   71.63900   2.133331 -4.767662 2.986178 
1 1 1  -34    6    3 o 80.15979 1.347635  73.42572 1.737143   68.90000 3.200000   78.80000 3.800000   77.48103 1.803409   82.83854   2.003046 -5.357506 2.695269 
1 1 1  -34    6    4 o 122.0366 1.647348  170.9077 3.230769   168.0000 6.000000   174.3000 7.000000   120.9424 2.166268   123.1307   2.482399 -2.188232 3.294696 
1 1 1  -34    6    5 f 108.0985 1.446792  134.0119 2.504951   135.7000 5.500000   132.6000 4.600000   108.7002 2.209388   107.4968   1.868538 1.203415 2.893584 
1 1 1  -34    6    6 o 82.26366 1.446696  77.73896 1.924675   74.70000 3.900000   80.70000 3.800000   80.66876 2.111052   83.85855   1.978682 -3.189789 2.893393 
1 1 1  -34    6    7 o 114.2977 1.488042  149.7645 2.735455   147.4000 5.100000   152.5000 5.900000   113.3428 1.964789   115.2527   2.235326 -1.909859 2.976084 
1 1 1  -34    6    8 o 52.30433 1.475838  31.36800 1.248000   30.60000 2.400000   32.20000 2.600000   51.64106 2.029345   52.96761   2.143397 -1.326550 2.951676 
1 1 1  -34    6    9 o 135.2046 1.438912  209.7524 3.149206   209.6000 6.400000   209.9000 6.200000   135.1517 2.067750   135.2574   2.001568 -0.1056671 2.877823 
1 1 1  -34    6   10 o 79.69083 1.278932  72.85001 1.650000   74.80000 3.300000   70.90000 3.300000   80.75932 1.784272   78.62235   1.832768 2.136963 2.557863 
1 1 1  -34    6   11 o 93.55507 1.491390  100.4722 2.232222   100.7000 4.100000   100.2000 4.900000   93.69047 1.910857   93.41966   2.290327 0.2708054 2.982779 
1 1 1  -34    6   12 o 204.7597 2.035870  482.2089 6.749629   470.0000 13.40000   494.6000 13.60000   202.1434 2.894576   207.3760   2.863652 -5.232529 4.071740 
1 1 1  -34    6   13 o 32.48209 2.254022  12.63333 1.120000   15.90000 2.100000   8.900000 2.400000   37.19852 2.465093   27.76565   3.774359 9.432878 4.508045 
1 1 1  -34    6   14 o 116.8677 1.666396  156.8008 3.137302   159.3000 6.700000   154.6000 5.900000   117.7199 2.485219   116.0156   2.220626 1.704292 3.332791 
1 1 1  -34    6   15 o 87.73253 1.372229  88.19487 1.944872   92.40000 4.100000   84.40000 3.700000   89.71220 1.995593   85.75285   1.884052 3.959358 2.744457 
1 1 1  -34    6   16 o 20.57408 3.127481  5.309302 1.069767   8.100000 2.000000   2.100000 2.300000   26.48596 3.297266   14.66221   5.315316 11.82375 6.254962 
1 1 1  -34    6   17 o 63.24067 1.464371  45.84000 1.493333   43.60000 2.800000   48.40000 3.200000   61.59946 1.984819   64.88188   2.153606 -3.282425 2.928741 
1 1 1  -34    6   18 o 52.01907 1.602955  31.15000 1.350000   30.40000 2.700000   31.90000 2.700000   51.38951 2.294188   52.64863   2.239321 -1.259121 3.205910 
1 1 1  -34    6   19 o 91.19177 1.439985  95.78117 2.124706   93.10000 4.300000   98.40000 4.200000   89.91713 2.088169   92.46641   1.983376 -2.549278 2.879971 
1 1 1  -34    6   20 o 125.2080 1.615844  180.6176 3.265649   185.2000 6.900000   176.5000 6.200000   126.6763 2.378448   123.7398   2.187873 2.936501 3.231687 
1 1 1  -34    6   21 o 101.9628 1.531095  120.1713 2.522772   122.5000 4.900000   117.7000 5.200000   103.0170 2.076953   100.9085   2.250170 2.108566 3.062189 
1 1 1  -34    6   22 f 61.67699 1.656558  43.90152 1.625758   42.10000 2.900000   46.20000 3.700000   60.32208 2.099237   63.03191   2.563191 -2.709835 3.313117 
1 1 1  -34    6   23 o 47.42585 1.998919  26.28852 1.504918   26.20000 2.700000   26.40000 3.400000   47.44746 2.484795   47.40424   3.131854 0.4322052E-01 3.997839 
1 1 1  -34    6   24 o 38.88226 2.794882  18.48696 1.724638   14.20000 3.400000   22.90000 3.500000   34.02865 4.362886   43.73588   3.494378 -9.707233 5.589763 
1 1 1  -34    6   25 o 10.57767 3.501809 -2.683871 1.548387  -4.800000 3.200000 -0.7000000 3.000000   9.434829 4.595890   11.72051   5.284739 -2.285680 7.003618 
1 1 1  -34    6   26 o 9.465119 3.223951 -3.594827 1.443103  -2.900000 3.100000  -4.200000 2.700000   10.27612 4.877821   8.654119   4.216906 1.622000 6.447902 
1 1 1  -34    6   27 o 49.93616 2.009103  29.80769 1.615385   34.60000 3.500000   25.70000 3.000000   53.63482 2.849449   46.23751   2.833130 7.397316 4.018207 
1 1 1  -34    8    1 o 34.31593 2.342021  13.80385 1.298077   13.90000 2.500000   13.70000 2.700000   34.47402 3.166561   34.15783   3.451543 0.3161888 4.684042 
1 1 1  -34    8    2 o 19.56361 3.669858  4.683673 1.220408   6.700000 2.600000   2.900000 2.300000   23.24554 5.030037   15.88169   5.345105 7.363853 7.339715 
1 1 1  -34    8    3 o 33.36186 4.842740  0.000000 0.000000          ?        ?   13.20000 3.700000          ?        ?   33.36186   4.842740       ?       ? 
1 1 1  -34    8    4 o 38.10036 2.165499  17.04423 1.298077   11.90000 2.500000   22.60000 2.700000   31.98648 3.412819   44.21424   2.666498 -12.22776 4.330998 
1 1 1  -34    8    5 o 50.55846 1.712899  29.47143 1.392857   29.10000 2.600000   29.90000 3.000000   50.24113 2.259715   50.87580   2.574837 -0.6346703 3.425799 
1 1 1  -34    8    6 o 29.23174 2.930631  10.03636 1.363636   10.40000 2.500000   9.600000 3.000000   29.88597 3.652686   28.57750   4.583916 1.308466 5.861263 
1 1 1  -34    8    7 o 46.35295 1.950004  24.99655 1.448276   27.70000 2.800000   22.10000 3.000000   49.00468 2.494940   43.70123   2.997556 5.303455 3.900009 
1 1 1  -34    8    8 o 77.66104 1.457592  69.52328 1.816438   71.20000 3.400000   67.60000 3.900000   78.69810 1.886489   76.62399   2.222489 2.074120 2.915184 
1 1 1  -34    8    9 o 53.36655 1.620201  32.80000 1.400000   32.20000 2.800000   33.40000 2.800000   52.87562 2.312290   53.85748   2.270135 -0.9818649 3.240401 
1 1 1  -34    8   10 o 29.42276 2.364572  10.16591 1.079545   10.90000 1.900000   9.200000 2.500000   30.73095 2.699711   28.11457   3.882829 2.616379 4.729144 
1 1 1  -34    8   11 o 16.42657 3.686140  2.960870 1.141304   1.500000 2.100000   4.700000 2.500000   13.22877 5.024204   19.62436   5.395172 -6.395592 7.372280 
1 1 1  -34    8   12 o 39.39995 2.235174  17.92982 1.414035   17.20000 2.600000   18.80000 3.100000   38.55508 2.944635   40.24482   3.363500 -1.689743 4.470347 
1 1 1  -34    8   13 o 27.41530 4.754892  9.200000 2.003572   10.90000 5.100000   8.100000 3.300000   29.25043 7.558932   25.58017   5.770488 3.670254 9.509784 
1 1 1  -34    8   14 o 23.55072 3.264666  6.750000 1.200000   7.300000 2.400000   6.200000 2.400000   24.57969 4.426374   22.52174   4.799937 2.057955 6.529332 
1 1 1  -34    8   15 o 71.78585 1.462302  59.30588 1.698529   62.60000 3.500000   56.20000 3.300000   73.71984 2.073115   69.85186   2.062888 3.867981 2.924605 
1 1 1  -34    8   16 o 60.20502 1.692592  41.90000 1.650000   41.20000 3.300000   42.60000 3.300000   59.69732 2.413786   60.71272   2.373417 -1.015396 3.385184 
1 1 1  -34    8   17 o 31.16544 2.731484  11.36727 1.352727   10.80000 2.400000   12.10000 3.100000   30.36734 3.450994   31.96354   4.234933 -1.596199 5.462968 
1 1 1  -34    8   18 o 19.90529 3.891576  5.007692 1.292308   5.100000 2.400000   4.900000 2.800000   20.11611 5.178783   19.69446   5.810135 0.4216480 7.783153 
1 1 1  -34    8   19 o 93.37238 1.537644  100.8903 2.324731   101.8000 4.700000   100.0000 4.600000   93.78254 2.188344   92.96222   2.160683 0.8203201 3.075289 
1 1 1  -34    8   20 o 50.50090 1.727247  29.90000 1.400000   34.40000 2.800000   25.40000 2.800000   54.39183 2.247833   46.60998   2.623124 7.781853 3.454495 
1 1 1  -34    8   21 o 24.15519 3.616832  7.523636 1.370909   6.200000 2.600000   9.000000 2.900000   21.78460 5.269055   26.52577   4.956103 -4.741177 7.233665 
1 1 1  -34    8   22 f 24.80933 3.605223  8.100000 1.400000   7.500000 2.800000   8.700000 2.800000   23.75260 5.283807   25.86606   4.906315 -2.113466 7.210447 
1 1 1  -34    8   23 o 59.56789 1.871594  41.62254 1.695775   40.40000 2.800000   43.50000 4.300000   58.82095 2.078575   60.31484   3.113035 -1.493893 3.743189 
1 1 1  -34    8   24 o 23.05486 4.412195  7.680882 1.686765   8.000000 3.100000   7.300000 3.700000   23.95575 5.728021   22.15396   6.712648 1.801796 8.824390 
1 1 1  -34   10    1 o 11.85175 3.764017 -0.7327869 1.524590  0.3000000 3.000000  -1.800000 3.100000   12.66537 5.516565   11.03812   5.122384 1.627259 7.528035 
1 1 1  -34   10    2 o 42.42989 2.812968  22.07273 1.916883   22.40000 3.600000   21.70000 4.100000   42.98066 3.657372   41.87911   4.274901 1.101551 5.625936 
1 1 1  -34   10    3 o 32.60659 2.937871  12.95161 1.548387   13.00000 3.000000   12.90000 3.200000   32.74049 4.001067   32.47269   4.303000 0.2677956 5.875742 
1 1 1  -34   10    4 o 59.12022 1.932426  41.15000 1.850000   41.50000 3.700000   40.80000 3.700000   59.37873 2.720887   58.86172   2.744786 0.5170097 3.864851 
1 1 1  -34   10    5 o 29.78503 3.451447  11.54516 1.535484   4.500000 2.800000   20.10000 3.400000   18.60797 5.874833   40.96209   3.624404 -22.35412 6.902895 
1 1 1  -34   10    6 o 25.00091 4.208920  8.250000 1.700000   10.10000 3.400000   6.400000 3.400000   28.04745 5.489816   21.95436   6.381377 6.093094 8.417841 
1 1 1  -34   10    7 o 23.25650 3.182859  6.638298 1.170213   5.000000 2.200000   8.500000 2.500000   19.88062 4.870443   26.63239   4.098921 -6.751774 6.365719 
1 1 1  -34   10    8 o 38.73415 2.333078  16.94237 1.403390   13.20000 2.300000   22.80000 3.600000   33.56676 2.991976   43.90153   3.580655 -10.33477 4.666156 
1 1 1  -34   10    9 o 20.66635 3.829931  5.467925 1.320755   6.600000 2.500000   4.200000 2.800000   22.94394 4.906411   18.38876   5.882228 4.555174 7.659861 
1 1 1  -34   10   10 o 46.36874 2.095418  25.01587 1.565079   22.30000 2.900000   28.20000 3.400000   43.67199 2.899578   49.06550   3.025815 -5.393513 4.190836 
1 1 1  -34   10   11 o 47.97515 2.208547  26.82941 1.647059   25.80000 2.800000   28.30000 4.000000   47.05090 2.598542   48.89939   3.571875 -1.848488 4.417093 
1 1 1  -34   10   12 o 49.37963 2.252979  29.01127 1.766197   31.80000 3.300000   25.80000 3.800000   52.13072 2.764139   46.62854   3.558537 5.502182 4.505958 
1 1 1  -34   10   13 o 24.01076 3.530825  7.429629 1.348148   5.200000 2.800000   9.500000 2.600000   19.95213 5.788590   28.06939   4.044641 -8.117264 7.061650 
1 1 1  -34   10   14 o 15.60285 4.050364  2.320689 1.448276   4.700000 3.000000  0.1000000 2.800000   18.92633 6.092323   12.27937   5.339046 6.646957 8.100729 
1 1 1  -34   10   15 o 40.62142 2.375828  19.77742 1.543548   20.90000 2.900000   18.50000 3.300000   42.01949 3.013609   39.22335   3.673745 2.796135 4.751657 
1 1 1  -34   10   16 o 13.05751 3.947853 0.1442623 1.514754  -1.600000 2.800000   2.200000 3.300000   10.68668 4.927056   15.42834   6.169788 -4.741658 7.895706 
1 1 1  -34   10   17 o 15.68712 4.033597  2.600000 1.320000  0.8000000 2.200000   5.300000 3.300000   11.80921 4.915432   19.56503   6.396731 -7.755819 8.067195 
1 1 1  -34   10   18 o 21.96040 4.336817  6.718462 1.624615   7.900000 3.200000   5.500000 3.300000   24.02181 5.867279   19.89898   6.388032 4.122824 8.673634 
1 1 1  -34   10   19 o 17.67278 4.281600  3.876923 1.615385   6.000000 3.000000   1.400000 3.500000   20.82458 5.977365   14.52099   6.131841 6.303590 8.563199 
1 1 1  -34   10   20 o 17.18575 4.086612  3.735000 1.498333   1.100000 3.100000   6.200000 2.900000   13.43608 5.726210   20.93543   5.831990 -7.499357 8.173224 
1 1 1  -34   12    8 o 18.25626 4.371348  4.704478 1.629851   6.000000 2.800000   2.900000 3.900000   20.48888 5.738707   16.02365   6.595603 4.465229 8.742697 
1 1 1  -34   12    9 o 15.63990 4.372592  2.915152 1.648485   2.400000 3.400000   3.400000 3.200000   15.08600 6.177960   16.19379   6.189592 -1.107788 8.745184 
1 1 1  -34   12   10 o 15.97949 4.280830  3.076119 1.540299   3.900000 2.400000   1.600000 4.300000   16.81329 5.453017   15.14570   6.600503 1.667587 8.561661 
1 1 1  -34   12   11 o 15.39834 4.392385  2.477465 1.746479   3.700000 3.100000  0.9000000 4.000000   16.56122 6.143122   14.23547   6.279668 2.325749 8.784770 
1 1 1  -33    1    1 o 153.8893 1.876450  270.9359 4.423913   268.0000 7.400000   275.3000 11.00000   152.9034 2.113267   154.8751   3.101349 -1.971771 3.752901 
1 1 1  -33    1    2 o 178.0436 1.985629  363.0118 5.104073   361.6000 8.000000   365.5000 14.10000   177.6368 1.966513   178.4504   3.450177 -0.8135986 3.971258 
1 1 1  -33    1    3 o 241.2554 2.503282  662.8335 8.719789   649.7000 13.60000   686.3000 24.30000   238.0765 2.494377   244.4342   4.340942 -6.357697 5.006565 
1 1 1  -33    1    4 o 38.05658 1.633837  16.76216 0.7729730   17.00000 1.100000   16.20000 2.600000   38.52628 1.246738   37.58688   3.020486 0.9394035 3.267673 
1 1 1  -33    1    5 o 182.4768 1.851141  379.7575 4.903302   374.6000 7.700000   388.8000 13.50000   180.8250 1.859396   184.1286   3.201489 -3.303635 3.702281 
1 1 1  -33    1    6 o 113.7579 1.749432  147.0302 3.181395   135.1000 5.700000   162.1000 7.200000   108.5859 2.292140   118.9300   2.643510 -10.34408 3.498864 
1 1 1  -33    1    7 o 501.4242 5.812845  2898.548 47.19740   2919.200 95.10000   2878.200 93.70000   503.1840 8.252648   499.6644   8.188434 3.519623 11.62569 
1 1 1  -33    1    8 o 201.7179 2.690091  466.8852 8.762963   458.9000 18.20000   474.3000 16.90000   200.0409 3.972760   203.3950   3.628158 -3.354095 5.380182 
1 1 1  -33    1    9 o 314.6074 3.856339  1134.879 19.62137   1211.600 40.80000   1063.800 37.80000   324.8310 5.484568   304.3837   5.422631 20.44724 7.712679 
1 1 1  -33    1   10 o 306.4380 3.864541  1078.313 19.17106   1077.400 38.90000   1079.200 37.80000   306.2974 5.545568   306.5786   5.383808 -0.2812805 7.729083 
1 1 1  -33    1   11 o 274.6713 2.779116  860.6760 10.84097   880.8000 30.90000   849.8000 16.70000   277.0178 4.870690   272.3248   2.677744 4.692993 5.558231 
1 1 1  -33    1   12 o 207.6148 2.178146  491.3364 6.721678   505.9000 17.80000   482.5000 10.80000   210.0206 3.700819   205.2090   2.298090 4.811584 4.356292 
1 1 1  -33    1   13 o 254.8650 2.506493  750.0279 9.590050   723.2000 24.40000   767.4000 15.80000   250.9850 4.245040   258.7451   2.666396 -7.760117 5.012987 
1 1 1  -33    1   14 o 192.9621 2.064797  422.5429 5.867857   444.5000 15.90000   409.7000 9.300000   196.8362 3.527214   189.0879   2.147628 7.748383 4.129593 
1 1 1  -33    1   15 o 232.9855 2.186764  622.5349 8.248788   623.8000 16.70000   621.3000 16.30000   233.2154 3.126792   232.7557   3.057926 0.4596405 4.373527 
1 1 1  -33    1   16 o 129.5815 1.501790  192.4937 3.149206   195.2000 6.200000   189.7000 6.400000   130.5099 2.074377   128.6530   2.172200 1.856949 3.003580 
1 1 1  -33    1   17 o 138.5617 1.561098  220.0743 3.493572   219.5000 6.700000   220.7000 7.300000   138.3795 2.114184   138.7440   2.297463 -0.3644562 3.122196 
1 1 1  -33    1   18 o 44.88576 1.792822  23.15000 1.300000   25.00000 2.600000   21.30000 2.600000   46.68547 2.431819   43.08604   2.634974 3.599426 3.585643 
1 1 1  -33    1   19 o 114.9458 1.411721  151.6286 2.622857   148.8000 5.400000   154.3000 5.100000   113.8958 2.070264   115.9958   1.919852 -2.099976 2.823442 
1 1 1  -33    1   20 o 88.10600 1.314306  88.97200 1.872000   91.00000 3.900000   87.10000 3.600000   89.06642 1.912011   87.14558   1.803835 1.920837 2.628613 
1 1 1  -33    1   21 o 153.3261 1.661379  270.1248 4.124848   266.0000 8.200000   274.3000 8.300000   152.1474 2.353363   154.5047   2.345720 -2.357239 3.322757 
1 1 1  -33    1   22 o 55.50299 1.475667  35.10000 1.301887   32.80000 2.300000   38.10000 3.000000   53.44407 1.879178   57.56192   2.275756 -4.117855 2.951335 
1 1 1  -33    1   23 o 11.69973 3.504050 0.1347826 1.147826  0.5000000 2.400000 -0.2000000 2.200000   12.38214 5.142284   11.01732   4.761342 1.364819 7.008100 
1 1 1  -33    1   24 o 49.83595 1.928665  28.80000 1.550000   25.80000 3.100000   31.80000 3.100000   47.20738 2.867421   52.46450   2.580096 -5.257122 3.857331 
1 1 1  -33    1   25 o 26.92447 3.061537  9.112245 1.224490   13.50000 2.500000   4.900000 2.400000   34.01446 3.209343   19.83449   5.214610 14.17998 6.123074 
1 1 1  -33    1   26 o 9.656853 3.165755 -1.610870 1.115217  -1.900000 1.900000  -1.200000 2.700000   8.297145 3.902088   11.01656   4.986153 -2.719416 6.331510 
1 1 1  -33    1   27 o 36.01262 2.669353  15.50968 1.524194   16.30000 3.500000   14.90000 2.700000   36.63203 4.172023   35.39321   3.331068 1.238823 5.338707 
1 1 1  -33    1   28 o 21.15357 4.666598  6.304225 1.774648   6.600000 3.500000   6.000000 3.600000   21.64536 6.522033   20.66178   6.676199 0.9835796 9.333197 
1 1 1  -33    1   29 f 23.28879 4.150633  7.509231 1.624615   10.20000 3.300000   4.900000 3.200000   27.67876 5.399927   18.89882   6.304904 8.779947 8.301267 
1 1 1  -33    3    1 o 61.09248 1.490901  42.92857 1.255357   43.20000 1.900000   42.40000 3.700000   61.40408 1.351127   60.78088   2.658119 0.6231995 2.981802 
1 1 1  -33    3    2 o 139.3117 1.788527  220.7760 3.411039   217.1000 5.100000   228.2000 10.30000   137.6456 1.617884   140.9778   3.190260 -3.332214 3.577053 
1 1 1  -33    3    3 o 175.1469 2.108234  348.9039 5.186522   342.0000 7.900000   362.1000 15.10000   172.7435 1.996940   177.5503   3.713602 -4.806778 4.216469 
1 1 1  -33    3    4 o 33.76276 2.266710  14.07857 0.8119048   15.10000 1.100000   11.20000 3.100000   36.30776 1.322918   31.21777   4.336102 5.089993 4.533420 
1 1 1  -33    3    5 o 211.6609 2.206405  513.2610 6.752055   511.7000 10.60000   516.0000 18.60000   211.3073 2.190439   212.0145   3.830779 -0.7071838 4.412810 
1 1 1  -33    3    6 o 95.95398 1.283236  103.6158 1.642105   100.3000 2.400000   110.8000 5.200000   93.58184 1.119849   98.32611   2.309267 -4.744270 2.566472 
1 1 1  -33    3    7 o 190.3047 2.660954  415.5500 8.198781   403.4000 16.20000   428.0000 16.60000   187.4875 3.772961   193.1218   3.753328 -5.634262 5.321908 
1 1 1  -33    3    8 o 156.4900 2.309697  280.3312 5.822649   290.0000 12.50000   271.9000 10.90000   158.9977 3.432881   153.9823   3.090974 5.015411 4.619393 
1 1 1  -33    3    9 o 107.4426 2.185820  132.4500 3.800000   126.3000 7.600000   138.6000 7.600000   104.9432 3.162270   109.9420   3.018489 -4.998825 4.371639 
1 1 1  -33    3   10 o 329.3378 2.789361  1244.996 14.87395   1250.400 29.50000   1239.500 30.00000   330.0670 3.902650   328.6086   3.986411 1.458405 5.578723 
1 1 1  -33    3   11 o 166.2886 1.606839  316.9728 4.323699   321.1000 8.500000   312.7000 8.800000   167.3938 2.217273   165.1834   2.326248 2.210358 3.213679 
1 1 1  -33    3   12 o 179.8044 1.725746  370.4687 5.023880   361.8000 9.900000   379.4000 10.20000   177.6698 2.433107   181.9389   2.448016 -4.269073 3.451492 
1 1 1  -33    3   13 o 185.9600 1.859676  396.3884 5.598214   393.0000 11.00000   399.9000 11.40000   185.1538 2.594177   186.7662   2.665301 -1.612396 3.719353 
1 1 1  -33    3   14 o 290.5835 2.518630  969.3239 11.84916   960.5000 23.90000   978.0000 23.50000   289.2627 3.607823   291.9043   3.515338 -2.641632 5.037260 
1 1 1  -33    3   15 o 191.6717 1.828318  421.2344 5.674009   412.6000 11.20000   430.1000 11.50000   189.6821 2.578288   193.6613   2.592954 -3.979172 3.656635 
1 1 1  -33    3   16 o 189.3277 1.794721  411.0536 5.492727   413.8000 11.40000   408.5000 10.60000   189.9272 2.620943   188.7281   2.452499 1.199005 3.589442 
1 1 1  -33    3   17 o 172.9129 1.696806  343.0500 4.750000   334.1000 9.500000   352.0000 9.500000   170.6527 2.430805   175.1730   2.368079 -4.520279 3.393613 
1 1 1  -33    3   18 o 179.7563 1.777785  370.9903 5.174879   373.0000 10.40000   369.0000 10.30000   180.2398 2.519546   179.2729   2.508779 0.9669647 3.555570 
1 1 1  -33    3   19 o 77.89018 1.440514  70.09167 1.794444   63.60000 3.800000   75.90000 3.400000   74.43355 2.229228   81.34681   1.825064 -6.913261 2.881027 
1 1 1  -33    3   20 o 61.46376 2.273372  43.40000 3.200000   43.40000 3.200000          ?        ?   61.46376 2.273372          ?          ?       ?       ? 
1 1 1  -33    3   21 o 46.73300 1.661389  25.22400 1.248000   27.00000 2.400000   23.30000 2.600000   48.46960 2.162128   44.99640   2.523104 3.473202 3.322778 
1 1 1  -33    3   22 o 50.72929 1.873506  30.37457 1.423729   33.10000 2.400000   26.40000 3.500000   53.66965 1.952640   47.78894   3.198014 5.880718 3.747012 
1 1 1  -33    3   23 o 29.98106 3.333958  11.13051 1.403390   12.30000 2.300000   9.300000 3.600000   32.57022 3.083521   27.39191   5.912106 5.178305 6.667915 
1 1 1  -33    3   24 o 101.6624 1.530926  119.6200 2.475000   122.5000 4.500000   116.1000 5.500000   103.1160 1.905576   100.2088   2.396606 2.907204 3.061853 
1 1 1  -33    3   25 o 39.35075 2.435070  18.63559 1.403390   20.00000 2.300000   16.50000 3.600000   41.50973 2.419456   37.19176   4.226642 4.317963 4.870140 
1 1 1  -33    3   26 o 64.74812 1.871615  47.97272 1.781818   45.10000 2.800000   53.00000 4.900000   62.42089 1.958699   67.07533   3.189870 -4.654438 3.743230 
1 1 1  -33    3   27 o 45.59164 2.431334  25.36232 1.681159   27.80000 2.900000   22.00000 4.000000   48.66413 2.602128   42.51915   4.107855 6.144981 4.862669 
1 1 1  -33    3   28 o 46.36448 2.513560  25.84459 1.763514   25.10000 2.900000   27.00000 4.500000   46.02756 2.751185   46.70139   4.207484 -0.6738281 5.027120 
1 1 1  -33    3   29 o 12.38179 3.888016 -0.4312501 1.593750  -2.400000 3.000000   1.800000 3.400000   10.25131 4.846093   14.51226   6.081288 -4.260952 7.776032 
1 1 1  -33    5    1 o 71.91763 2.008999  59.43483 1.988764   59.30000 3.000000   59.70000 5.900000   71.89476 1.822065   71.94049   3.581115 -0.4573059E-01 4.017998 
1 1 1  -33    5    2 o 159.5866 1.722340  292.2213 4.441011   286.3000 8.500000   298.7000 9.300000   157.9109 2.350426   161.2623   2.518198 -3.351425 3.444680 
1 1 1  -33    5    3 o 78.46341 1.458670  70.71892 1.848649   73.20000 3.600000   68.10000 3.800000   79.88644 1.967746   77.04038   2.153798 2.846054 2.917340 
1 1 1  -33    5    4 o 58.57914 1.344009  39.33529 1.274510   38.60000 2.500000   40.10000 2.600000   58.02164 1.881437   59.13665   1.919801 -1.115005 2.688018 
1 1 1  -33    5    5 o 41.22550 1.793570  19.77872 1.170213   22.40000 2.200000   16.80000 2.500000   44.19636 2.173581   38.25465   2.853616 5.941715 3.587141 
1 1 1  -33    5    6 o 85.51065 1.421358  84.15257 1.929487   80.90000 4.300000   86.80000 3.500000   83.99433 2.235415   87.02698   1.756119 -3.032646 2.842716 
1 1 1  -33    5    7 o 156.6032 1.640218  280.8663 4.120482   276.7000 7.600000   285.8000 9.000000   155.3537 2.136150   157.8528   2.489603 -2.499084 3.280436 
1 1 1  -33    5    8 o 143.9887 1.525306  238.0239 3.549296   225.5000 7.200000   250.2000 7.000000   140.2410 2.241802   147.7363   2.068952 -7.495331 3.050613 
1 1 1  -33    5    9 o 55.17851 1.426085  34.79412 1.270588   32.30000 2.400000   37.60000 2.700000   53.08480 1.974153   57.27222   2.058541 -4.187424 2.852169 
1 1 1  -33    5   10 o 127.7272 1.463071  186.7579 3.014876   192.1000 6.400000   182.0000 5.700000   129.4455 2.158902   126.0090   1.975209 3.436508 2.926142 
1 1 1  -33    5   11 o 94.31300 1.930733  101.7331 2.936441   96.00000 5.500000   108.3000 6.300000   91.47845 2.625328   97.14754   2.831708 -5.669098 3.861466 
1 1 1  -33    5   12 o 155.5712 1.806887  277.6994 4.547802   275.4000 9.300000   279.9000 8.900000   154.9333 2.621065   156.2090   2.487846 -1.275696 3.613773 
1 1 1  -33    5   13 o 63.45728 1.289556  45.93585 1.313208   43.40000 2.400000   49.00000 2.900000   61.53675 1.703007   65.37782   1.936900 -3.841068 2.579112 
1 1 1  -33    5   14 o 128.1209 1.566669  188.3031 3.249231   188.5000 6.400000   188.1000 6.600000   128.1926 2.180001   128.0492   2.250644 0.1434021 3.133337 
1 1 1  -33    5   15 o 64.75697 1.358536  47.96316 1.421053   52.70000 3.000000   43.70000 2.700000   67.78587 1.932510   61.72807   1.909945 6.057793 2.717073 
1 1 1  -33    5   16 o 95.55699 1.373680  104.7129 2.122353   103.7000 4.100000   105.8000 4.400000   95.08331 1.882865   96.03069   2.000702 -0.9473801 2.747361 
1 1 1  -33    5   17 o 131.0613 1.566603  197.1699 3.323308   193.7000 6.500000   200.8000 6.800000   129.8867 2.185185   132.2359   2.245429 -2.349121 3.133207 
1 1 1  -33    5   18 o 156.3187 2.051399  282.2738 5.101457   272.4000 11.30000   290.4000 9.300000   153.7230 3.209809   158.9144   2.555403 -5.191406 4.102799 
1 1 1  -33    5   19 o 66.21609 1.473744  50.48571 1.571429   52.20000 3.000000   48.60000 3.300000   67.41420 1.943165   65.01799   2.216257 2.396210 2.947488 
1 1 1  -33    5   20 o 158.5871 1.752247  289.5700 4.499444   286.9000 8.900000   292.3000 9.100000   157.8536 2.461928   159.3207   2.494072 -1.467117 3.504495 
1 1 1  -33    5   21 o 96.41382 1.377002  106.8953 2.148837   111.5000 4.400000   102.5000 4.200000   98.44109 1.951713   94.38656   1.943027 4.054527 2.754004 
1 1 1  -33    5   22 o 60.89110 1.445806  42.70526 1.424561   40.20000 2.800000   45.30000 2.900000   59.06891 2.069849   62.71329   2.019194 -3.644375 2.891613 
1 1 1  -33    5   23 o 29.00696 3.574605  10.10000 1.560000   11.30000 3.900000   9.300000 2.600000   29.96619 5.892944   28.04773   4.047765 1.918459 7.149209 
1 1 1  -33    5   24 o 39.75844 2.178100  18.40357 1.383929   19.40000 3.100000   17.60000 2.500000   40.65606 3.329478   38.86082   2.809104 1.795246 4.356201 
1 1 1  -33    5   25 o 41.95297 2.610163  20.90845 1.746479   18.90000 3.100000   23.50000 4.000000   39.81722 3.399620   44.08872   3.961614 -4.271500 5.220326 
1 1 1  -33    5   26 o 13.10477 3.983348 -0.1123077 1.624615   2.300000 3.200000  -2.600000 3.300000   15.28714 6.087967   10.92240   5.138571 4.364748 7.966697 
1 1 1  -33    5   27 o 40.04741 2.698110  19.57714 1.748571   20.40000 3.600000   18.80000 3.400000   40.84322 3.848772   39.25159   3.782346 1.591629 5.396220 
1 1 1  -33    5   28 o 27.74236 3.125554  10.06226 1.301887   9.100000 3.000000   10.80000 2.300000   25.79483 5.256800   29.68989   3.382664 -3.895060 6.251109 
1 1 1  -33    7    1 o 60.45760 1.534287  42.04667 1.498333   37.60000 2.900000   46.80000 3.100000   57.14586 2.215914   63.76934   2.122704 -6.623478 3.068574 
1 1 1  -33    7    2 o 22.64051 3.526054  6.200000 1.300000   8.300000 2.600000   4.100000 2.600000   26.70668 4.251020   18.57434   5.626815 8.132339 7.052108 
1 1 1  -33    7    3 o 120.5082 1.537231  166.9383 2.999167   163.3000 5.900000   170.7000 6.100000   119.1759 2.161740   121.8405   2.186139 -2.664673 3.074463 
1 1 1  -33    7    4 o 43.60291 1.922333  21.91111 1.348148   25.80000 2.800000   18.30000 2.600000   47.34948 2.582156   39.85634   2.848496 7.493141 3.844666 
1 1 1  -33    7    5 o 43.54440 1.842229  21.68462 1.292308   19.10000 2.400000   24.70000 2.800000   40.75178 2.571605   46.33702   2.638576 -5.585243 3.684459 
1 1 1  -33    7    6 o 102.2177 1.404851  119.9613 2.324731   121.0000 4.600000   118.9000 4.700000   102.6691 1.956401   101.7664   2.016662 0.9027023 2.809703 
1 1 1  -33    7    7 o 37.61493 2.135311  16.30000 1.300000   16.90000 2.600000   15.70000 2.600000   38.31144 2.963361   36.91841   3.075176 1.393028 4.270623 
1 1 1  -33    7    8 o 154.7202 1.787808  274.9112 4.458100   270.5000 8.400000   279.9000 9.500000   153.4307 2.390598   156.0096   2.658961 -2.578842 3.575617 
1 1 1  -33    7    9 o 131.3559 1.621705  198.0688 3.447101   192.0000 6.700000   204.5000 7.100000   129.2903 2.262812   133.4214   2.323659 -4.131119 3.243410 
1 1 1  -33    7   10 o 41.75463 1.702316  20.00000 1.147826   22.40000 2.400000   17.80000 2.200000   44.15350 2.373482   39.35576   2.440923 4.797741 3.404632 
1 1 1  -33    7   11 o 88.64334 1.410805  90.20000 2.024691   90.20000 4.000000   90.20000 4.100000   88.64608 1.970335   88.64061   2.019718 0.5470276E-02 2.821610 
1 1 1  -33    7   12 o 177.4276 1.975660  362.2106 5.669603   359.4000 11.00000   365.2000 11.70000   176.7415 2.717652   178.1136   2.868325 -1.372147 3.951319 
1 1 1  -33    7   13 o 112.8244 1.491512  146.1312 2.722936   143.7000 5.300000   148.7000 5.600000   111.8660 2.068796   113.7828   2.149073 -1.916801 2.983024 
1 1 1  -33    7   14 o 27.47481 2.921312  8.700000 1.292308   7.500000 2.400000   10.10000 2.800000   25.43514 4.120187   29.51449   4.142500 -4.079350 5.842623 
1 1 1  -33    7   15 o 49.32561 1.696265  28.02222 1.342593   28.30000 2.500000   27.70000 2.900000   49.60937 2.200473   49.04184   2.582088 0.5675278 3.392529 
1 1 1  -33    7   16 o 124.2781 1.627353  177.6451 3.273283   180.1000 6.700000   175.3000 6.400000   125.1079 2.338460   123.4483   2.263783 1.659592 3.254705 
1 1 1  -33    7   17 o 10.37019 3.285390 -1.272340 1.174468  -2.600000 2.400000   0.000000 2.300000   9.243724 4.358947   11.49665   4.916782 -2.252926 6.570781 
1 1 1  -33    7   18 o 21.52639 3.305721  5.333333 1.166667   2.500000 2.000000   9.300000 2.800000   14.90411 4.984492   28.14866   4.343502 -13.24455 6.611442 
1 1 1  -33    7   19 o 32.24320 2.638273  12.16000 1.374545   11.60000 2.800000   12.70000 2.700000   31.48659 3.883042   32.99981   3.572663 -1.513224 5.276546 
1 1 1  -33    7   20 o 46.80726 1.814039  25.39455 1.374545   25.10000 2.700000   25.70000 2.800000   46.53796 2.533355   47.07655   2.597126 -0.5385895 3.628078 
1 1 1  -33    7   21 o 59.65026 1.916014  41.45135 1.848649   41.50000 3.600000   41.40000 3.800000   59.71481 2.632450   59.58572   2.784717 0.1290894 3.832029 
1 1 1  -33    7   22 o 12.94875 3.939998 0.1650000 1.498333  0.6000000 2.900000 -0.3000000 3.100000   13.22873 5.583610   12.66877   5.560362 0.5599585 7.879995 
1 1 1  -33    7   23 o 16.29927 3.910396  2.540000 1.485000   5.600000 2.700000  -1.200000 3.300000   20.56543 5.587430   12.03311   5.472239 8.532322 7.820791 
1 1 1  -33    7   24 o 40.71936 2.322211  19.97541 1.524590   21.50000 3.000000   18.40000 3.100000   42.41424 3.088512   39.02448   3.468680 3.389763 4.644421 
1 1 1  -33    7   25 o 34.37748 3.231948  14.79722 1.794444   15.80000 3.800000   13.90000 3.400000   35.40047 4.687209   33.35448   4.451070 2.045982 6.463896 
1 1 1  -33    7   26 o 50.10417 2.252549  30.45000 1.750000   30.20000 3.000000   30.80000 4.200000   50.33829 2.602330   49.87004   3.677471 0.4682503 4.505099 
1 1 1  -33    9    1 o 35.28616 2.766779  14.73333 1.571429   12.40000 3.000000   17.30000 3.300000   32.31213 4.054109   38.26019   3.766228 -5.948055 5.533558 
1 1 1  -33    9    2 o 17.96870 4.000834  3.969231 1.292308   4.400000 2.800000   3.600000 2.400000   18.78192 5.866606   17.15548   5.441473 1.626446 8.001668 
1 1 1  -33    9    3 o 24.27509 3.833617  7.381356 1.471186   6.100000 2.800000   8.800000 3.100000   21.98236 5.558517   26.56782   5.281037 -4.585464 7.667233 
1 1 1  -33    9    4 o 33.76799 2.806319  13.49180 1.521312   14.30000 2.900000   12.60000 3.200000   34.91509 3.626808   32.62088   4.283453 2.294212 5.612638 
1 1 1  -33    9    5 o 69.61810 1.641688  56.00270 1.848649   56.10000 3.600000   55.90000 3.800000   69.69784 2.255397   69.53837   2.386156 0.1594696 3.283375 
1 1 1  -33    9    6 o 24.37923 3.810053  7.445000 1.485000   9.200000 2.700000   5.300000 3.300000   27.97892 4.213786   20.77954   6.349017 7.199389 7.620105 
1 1 1  -33    9    7 o 78.11122 1.490587  70.37466 1.858667   71.10000 3.400000   69.50000 4.100000   78.60319 1.888767   77.61926   2.306504 0.9839325 2.981174 
1 1 1  -33    9    8 o 81.90871 1.507846  77.30000 2.000000   77.00000 4.000000   77.60000 4.000000   81.74878 2.136576   82.06863   2.128249 -0.3198547 3.015693 
1 1 1  -33    9    9 o 37.65180 2.335509  16.38597 1.414035   17.80000 3.100000   15.20000 2.600000   39.11047 3.461054   36.19313   3.136800 2.917339 4.671018 
1 1 1  -33    9   10 o 57.30315 1.705128  37.94762 1.565079   38.50000 2.900000   37.30000 3.400000   57.79609 2.190984   56.81022   2.613317 0.9858742 3.410255 
1 1 1  -33    9   11 o 26.78442 3.164718  8.374074 1.320370   6.500000 2.300000   10.90000 3.100000   23.13207 4.503633   30.43677   4.447365 -7.304697 6.329437 
1 1 1  -33    9   12 o 35.62943 2.546760  14.49661 1.440678   11.70000 2.500000   18.30000 3.400000   31.68968 3.444783   39.56918   3.751989 -7.879503 5.093521 
1 1 1  -33    9   13 o 35.12642 2.301065  14.44615 1.298077   15.60000 2.500000   13.20000 2.700000   36.64155 2.979243   33.61129   3.507666 3.030254 4.602131 
1 1 1  -33    9   14 f 48.18336 2.052645  26.96875 1.593750   26.50000 3.000000   27.50000 3.400000   47.77694 2.741843   48.58978   3.055439 -0.8128395 4.105291 
1 1 1  -33    9   15 o 33.75215 2.767462  13.43000 1.473333   13.30000 2.600000   13.60000 3.400000   33.69547 3.369314   33.80883   4.391253 -0.1133575 5.534925 
1 1 1  -33    9   16 o 19.98407 4.432265  4.980000 1.624615   3.700000 3.200000   6.300000 3.300000   17.85757 6.293075   22.11057   6.243165 -4.252996 8.864530 
1 1 1  -33    9   17 o 32.84774 2.819960  12.79000 1.498333   12.50000 2.900000   13.10000 3.100000   32.48820 3.897732   33.20727   4.076320 -0.7190628 5.639920 
1 1 1  -33    9   18 o 26.34506 3.591576  8.905882 1.694118   1.000000 3.200000   17.80000 3.600000   14.15237 5.912635   38.53774   4.079021 -24.38537 7.183152 
1 1 1  -33    9   19 o 17.49781 3.966683  3.701755 1.414035   5.800000 2.600000   1.200000 3.100000   21.00672 5.380673   13.98891   5.829808 7.017814 7.933366 
1 1 1  -33    9   20 o 43.25150 2.358077  22.35758 1.648485   22.60000 3.200000   22.10000 3.400000   43.56063 3.207713   42.94236   3.457265 0.6182747 4.716154 
1 1 1  -33    9   21 o 15.38105 4.270858  2.454839 1.509677   1.700000 2.600000   3.500000 3.600000   13.69275 5.476200   17.06934   6.555315 -3.376596 8.541717 
1 1 1  -33    9   22 f 14.31504 4.178556  1.510769 1.578462   2.300000 2.700000  0.4000000 3.800000   14.64995 5.663320   13.98013   6.145579 0.6698141 8.357113 
1 1 1  -33    9   23 o 41.78117 2.553066  21.55217 1.721739   21.50000 3.600000   21.60000 3.300000   41.58736 3.779905   41.97498   3.432916 -0.3876190 5.106133 
1 1 1  -33   11    1 o 17.69193 4.350598  4.125397 1.574603   2.600000 3.100000   5.700000 3.200000   15.34322 6.029313   20.04064   6.273611 -4.697419 8.701196 
1 1 1  -33   11    2 o 19.33756 3.983411  5.018182 1.374545   3.300000 2.700000   6.800000 2.800000   16.21469 5.773403   22.46043   5.489817 -6.245739 7.966823 
1 1 1  -33   11    3 o 20.96215 4.473473  5.855224 1.611940   3.800000 2.700000   8.900000 4.000000   17.06188 5.791035   24.86243   6.819953 -7.800549 8.946946 
1 1 1  -33   11    4 o 20.43381 4.540218  5.850747 1.674627   5.800000 3.400000   5.900000 3.300000   20.33647 6.479435   20.53114   6.361701 -0.1946716 9.080437 
1 1 1  -33   11    5 o 28.63697 3.485575  10.35556 1.526984   9.200000 2.600000   12.00000 3.700000   27.28530 4.160872   29.98864   5.593218 -2.703344 6.971151 
1 1 1  -33   11    6 o 53.62518 2.213781  34.04546 1.909091   38.30000 4.200000   30.50000 3.500000   56.59962 3.240227   50.65075   3.017323 5.948864 4.427563 
1 1 1  -33   11    7 o 16.49786 4.538761  2.848571 1.744286   2.000000 3.300000   3.800000 3.700000   15.17905 6.134463   17.81668   6.691020 -2.637634 9.077521 
1 1 1  -33   11    8 o 21.70481 3.366804  6.152083 1.197917   3.600000 2.500000   8.500000 2.300000   16.86402 5.570264   26.54559   3.783338 -9.681576 6.733608 
1 1 1  -33   11    9 o 29.10527 2.785121  9.681132 1.245283   6.700000 2.000000   14.60000 3.300000   23.59756 3.700860   34.61298   4.163079 -11.01543 5.570241 
1 1 1  -33   11   10 o 52.98289 2.418802  33.52651 2.072289   34.20000 4.300000   32.90000 4.000000   53.43508 3.513838   52.53071   3.324960 0.9043694 4.837605 
1 1 1  -33   11   11 o 36.73734 2.892186  16.33529 1.647059   15.80000 2.800000   17.10000 4.000000   36.36926 3.361733   37.10542   4.707197 -0.7361565 5.784372 
1 1 1  -33   11   12 o 18.03675 4.201254  4.000000 1.550000   6.500000 3.100000   1.500000 3.100000   21.83700 6.009595   14.23651   5.872556 7.600492 8.402509 
1 1 1  -33   11   13 o 17.20704 4.710690  3.500000 1.858667   3.500000 3.400000   3.500000 4.100000   16.96507 6.404979   17.44902   6.909315 -0.4839535 9.421379 
1 1 1  -33   11   14 o 45.49131 2.312727  24.73529 1.676471   23.50000 3.000000   26.30000 3.800000   44.41259 2.949544   46.57003   3.563008 -2.157436 4.625455 
1 1 1  -33   11   15 o 11.40080 3.774918 -2.516901 1.757746  -1.300000 3.200000  -4.000000 3.900000   11.61623 5.322893   11.18536   5.354143 0.4308767 7.549837 
1 1 1  -33   11   16 o 17.87244 3.707921  3.596552 1.448276 -0.8000000 3.000000   7.700000 2.800000   11.64280 5.263971   24.10208   5.223535 -12.45928 7.415842 
1 1 1  -33   11   17 o 44.76552 2.310590  24.18955 1.674627   23.50000 3.300000   24.90000 3.400000   44.11906 3.266084   45.41197   3.269251 -1.292904 4.621181 
1 1 1  -33   11   18 o 15.66221 3.754718  1.783871 1.535484   6.300000 2.800000  -3.700000 3.400000   21.10031 5.672117   10.22411   4.921251 10.87619 7.509436 
1 1 1  -32    0    1 o 111.0622 1.849025  141.4000 4.700000   141.4000 4.700000   141.4000 4.700000   111.0622 1.849025   111.0622   1.849025 -0.000000 0.000000 
1 1 1  -32    0    2 o 134.8776 1.943365  208.5000 6.000000   208.5000 6.000000   208.5000 6.000000   134.8776 1.943365   134.8776   1.943365 -0.000000 0.000000 
1 1 1  -32    0    3 o 165.8096 2.292114  315.1000 8.700000   315.1000 8.700000   315.1000 8.700000   165.8096 2.292114   165.8096   2.292114 -0.000000 0.000000 
1 1 1  -32    0    4 o 127.5369 1.849710  186.4000 5.400000   186.4000 5.400000   186.4000 5.400000   127.5369 1.849710   127.5369   1.849710 0.000000 0.000000 
1 1 1  -32    0    5 o 216.7342 2.660318  538.3000 13.20000   538.3000 13.20000   538.3000 13.20000   216.7342 2.660318   216.7342   2.660318 0.000000 0.000000 
1 1 1  -32    0    6 o 162.6667 2.067711  303.2000 7.700000   303.2000 7.700000   303.2000 7.700000   162.6667 2.067711   162.6667   2.067711 -0.000000 0.000000 
1 1 1  -32    0    7 o 375.9760 4.217055  1620.700 36.30000   1620.700 36.30000   1620.700 36.30000   375.9760 4.217055   375.9760   4.217055 -0.000000 0.000000 
1 1 1  -32    0    8 o 136.8883 2.713799  214.9000 8.500000   214.9000 8.500000   214.9000 8.500000   136.8883 2.713799   136.8883   2.713799 -0.000000 0.000000 
1 1 1  -32    0    9 o 129.2075 1.758072  191.3000 5.200000   191.3000 5.200000   191.3000 5.200000   129.2075 1.758072   129.2075   1.758072 -0.000000 0.000000 
1 1 1  -32    0   10 o 427.4414 4.915159  2095.500 48.10000   2095.500 48.10000   2095.500 48.10000   427.4414 4.915159   427.4414   4.915159 0.000000 0.000000 
1 1 1  -32    0   11 o 251.3345 3.093540  724.0000 17.80000   724.0000 17.80000   724.0000 17.80000   251.3345 3.093540   251.3345   3.093540 -0.000000 0.000000 
1 1 1  -32    0   12 o 386.0868 4.480038  1709.200 39.60000   1709.200 39.60000   1709.200 39.60000   386.0868 4.480038   386.0868   4.480038 -0.000000 0.000000 
1 1 1  -32    0   13 o 164.7595 2.333288  311.1000 8.800000   311.1000 8.800000   311.1000 8.800000   164.7595 2.333288   164.7595   2.333288 -0.000000 0.000000 
1 1 1  -32    0   14 o 353.0366 4.120002  1429.000 33.30000   1429.000 33.30000   1429.000 33.30000   353.0366 4.120002   353.0366   4.120002 -0.000000 0.000000 
1 1 1  -32    0   15 o 314.4950 3.958456  1134.400 28.50000   1134.400 28.50000   1134.400 28.50000   314.4950 3.958456   314.4950   3.958456 -0.000000 0.000000 
1 1 1  -32    0   16 o 243.5712 3.138443  680.2000 17.50000   680.2000 17.50000   680.2000 17.50000   243.5712 3.138443   243.5712   3.138443 -0.000000 0.000000 
1 1 1  -32    0   17 o 388.0364 4.671508  1728.400 41.50000   1728.400 41.50000   1728.400 41.50000   388.0364 4.671508   388.0364   4.671508 0.000000 0.000000 
1 1 1  -32    0   18 o 8.106224 5.157371 0.2000000 2.100000  0.2000000 2.100000  0.2000000 2.100000   8.106224 5.157371   8.106224   5.157371 0.000000 0.000000 
1 1 1  -32    0   19 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -32    0   20 o 60.48415 1.590744  42.00000 2.200000   42.00000 2.200000   42.00000 2.200000   60.48415 1.590744   60.48415   1.590744 0.000000 0.000000 
1 1 1  -32    0   21 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -32    0   22 o 34.01854 4.143113  13.90000 3.100000   13.90000 3.100000   13.90000 3.100000   34.01854 4.143113   34.01854   4.143113 -0.000000 0.000000 
1 1 1  -32    0   23 o 14.46196 7.304494  3.600000 3.000000   3.600000 3.000000   3.600000 3.000000   14.46196 7.304494   14.46196   7.304494 -0.000000 0.000000 
1 1 1  -32    0   24 o 35.24536 3.685033  14.80000 2.900000   14.80000 2.900000   14.80000 2.900000   35.24536 3.685033   35.24536   3.685033 0.000000 0.000000 
1 1 1  -32    0   25 o 71.39706 2.329656  58.80000 3.800000   58.80000 3.800000   58.80000 3.800000   71.39706 2.329656   71.39706   2.329656 -0.000000 0.000000 
1 1 1  -32    0   26 o 16.42009 7.419496  4.700000 3.000000   4.700000 3.000000   4.700000 3.000000   16.42009 7.419496   16.42009   7.419496 -0.000000 0.000000 
1 1 1  -32    0   27 o 6.499863 4.626801 -4.000000 3.000000  -4.000000 3.000000  -4.000000 3.000000   6.499863 4.626801   6.499863   4.626801 -0.000000 0.000000 
1 1 1  -32    0   28 o 22.47665 6.889539  7.600000 3.100000   7.600000 3.100000   7.600000 3.100000   22.47665 6.889539   22.47665   6.889539 0.000000 0.000000 
1 1 1  -32    0   29 o 17.56936 8.118098  5.800000 3.600000   5.800000 3.600000   5.800000 3.600000   17.56936 8.118098   17.56936   8.118098 0.000000 0.000000 
1 1 1  -32    0   30 o 9.499180 6.006872 0.9000000 2.800000  0.9000000 2.800000  0.9000000 2.800000   9.499180 6.006872   9.499180   6.006872 0.000000 0.000000 
1 1 1  -32    2    1 o 162.1381 1.885965  301.6625 4.500000   302.3000 7.200000   300.6000 12.00000   162.4209 1.935665   161.8553   3.237383 0.5656891 3.771929 
1 1 1  -32    2    2 o 139.3333 1.823395  221.1519 3.871605   215.7000 6.400000   229.5000 9.800000   137.2021 2.036849   141.4645   3.024950 -4.262405 3.646790 
1 1 1  -32    2    3 o 234.9405 2.480348  635.2273 8.400000   640.5000 13.20000   626.0000 23.10000   236.3996 2.438186   233.4814   4.320156 2.918243 4.960695 
1 1 1  -32    2    4 o 183.9301 1.988499  386.9316 5.222369   384.8000 8.100000   390.8000 14.70000   183.2707 1.929886   184.5896   3.477362 -1.318878 3.976998 
1 1 1  -32    2    5 o 99.36255 1.320007  112.3500 1.718750   111.1000 2.500000   115.1000 5.500000   98.49520 1.108319   100.2299   2.396101 -1.734695 2.640013 
1 1 1  -32    2    6 o 372.6031 4.486523  1594.240 27.04986   1528.700 52.50000   1663.900 55.80000   364.7228 6.285446   380.4834   6.403806 -15.76056 8.973046 
1 1 1  -32    2    7 o 211.9615 2.897035  513.3793 9.819143   535.5000 21.90000   495.4000 17.80000   216.0580 4.426020   207.8650   3.739196 8.192993 5.794070 
1 1 1  -32    2    8 o 206.5191 2.693100  489.3117 8.998889   474.6000 18.20000   503.7000 17.80000   203.4395 3.906392   209.5986   3.708269 -6.159088 5.386200 
1 1 1  -32    2    9 o 142.6327 2.207899  233.0941 5.098039   227.8000 10.00000   238.6000 10.40000   140.9822 3.097245   144.2833   3.147436 -3.301147 4.415799 
1 1 1  -32    2   10 o 212.8303 2.940864  519.9383 10.12346   539.0000 20.00000   500.4000 20.50000   216.7943 4.028301   208.8663   4.285734 7.927948 5.881728 
1 1 1  -32    2   11 o 356.0586 3.549579  1450.255 18.02170   1471.700 50.90000   1438.500 27.90000   357.8718 6.210550   354.2455   3.439059 3.626343 7.099159 
1 1 1  -32    2   12 o 233.5235 2.659771  617.6622 9.426196   662.1000 24.30000   589.5000 15.40000   240.2439 4.416656   226.8031   2.964909 13.44081 5.319542 
1 1 1  -32    2   13 o 236.4381 2.541604  637.4590 8.624468   654.0000 24.20000   628.3000 13.40000   238.7168 4.426620   234.1595   2.498806 4.557220 5.083207 
1 1 1  -32    2   14 o 144.1787 1.730607  237.4744 3.589744   241.0000 10.00000   235.5000 5.600000   144.9780 3.011879   143.3795   1.705457 1.598587 3.461213 
1 1 1  -32    2   15 o 145.7968 1.894166  245.1041 3.923977   238.8000 11.00000   248.6000 6.100000   144.2864 3.328948   147.3073   1.808195 -3.020889 3.788333 
1 1 1  -32    2   16 o 64.94464 1.381769  48.40000 1.450000   44.70000 2.900000   52.10000 2.900000   62.45694 2.027482   67.43234   1.877887 -4.975403 2.763538 
1 1 1  -32    2   17 o 125.1798 1.480482  179.6500 3.000000   185.3000 6.000000   174.0000 6.000000   127.1507 2.060499   123.2090   2.126418 3.941696 2.960964 
1 1 1  -32    2   18 o 76.28539 1.296929  66.65625 1.593750   66.00000 3.000000   67.40000 3.400000   75.88910 1.726162   76.68169   1.936096 -0.7925873 2.593859 
1 1 1  -32    2   19 o 90.90941 1.445359  96.52073 1.971951   103.0000 3.300000   86.90000 4.900000   94.80169 1.519979   87.01712   2.458845 7.784569 2.890718 
1 1 1  -32    2   20 o 21.06243 3.305183  4.850000 1.147917   2.000000 1.900000   9.200000 2.900000   13.91393 4.852683   28.21093   4.488698 -14.29700 6.610366 
1 1 1  -32    2   21 o 34.63503 2.428947  14.01132 1.286792   14.80000 2.200000   12.90000 3.100000   35.87285 2.677913   33.39720   4.053137 2.475655 4.857894 
1 1 1  -32    2   22 f 58.53773 1.894269  40.10870 1.643478   42.30000 2.700000   36.70000 4.200000   60.69118 1.942575   56.38428   3.252602 4.306908 3.788538 
1 1 1  -32    2   23 o 53.54727 1.770380  32.17869 1.432787   29.20000 2.300000   37.10000 3.800000   50.40345 1.992541   56.69110   2.926904 -6.287647 3.540761 
1 1 1  -32    2   24 o 101.1838 1.746566  119.6091 2.596364   124.0000 4.200000   112.5000 6.800000   103.8459 1.766036   98.52174   3.013815 5.324165 3.493131 
1 1 1  -32    2   25 o 58.41470 1.986435  38.30400 1.754667   33.60000 2.800000   46.20000 4.700000   53.91735 2.267614   62.91204   3.262149 -8.994686 3.972869 
1 1 1  -32    2   26 o 44.78759 2.657071  24.81972 1.673239   27.90000 2.700000   19.80000 4.400000   49.03390 2.404402   40.54129   4.739089 8.492611 5.314143 
1 1 1  -32    2   27 o 39.47967 2.253495  17.76491 1.298246   15.80000 2.000000   21.40000 3.700000   36.78845 2.373877   42.17089   3.831145 -5.382446 4.506991 
1 1 1  -32    2   28 o 21.55542 3.776552  6.250944 1.320755   7.100000 2.500000   5.300000 2.800000   23.36929 4.830885   19.74156   5.806197 3.627729 7.553104 
1 1 1  -32    2   29 o 11.69644 3.727837 -0.7500000 1.500000   0.000000 3.000000  -1.500000 3.000000   12.34567 5.442583   11.04720   5.095623 1.298467 7.455674 
1 1 1  -32    4    1 o 123.4366 1.556498  174.6000 4.400000   174.6000 4.400000          ?        ?   123.4366 1.556498          ?          ?       ?       ? 
1 1 1  -32    4    2 o 143.4699 1.978260  241.0779 3.876163   251.3000 5.900000   221.5000 11.30000   148.0848 1.739727   138.8549   3.553504 9.229919 3.956519 
1 1 1  -32    4    3 o 105.1422 1.659903  124.7308 2.282243   121.4000 3.300000   132.2000 7.400000   102.9437 1.399761   107.3408   3.010279 -4.397041 3.319805 
1 1 1  -32    4    4 f 251.8695 2.850374  727.9647 10.77709   725.6000 17.60000   731.7000 27.80000   251.5068 3.055644   252.2322   4.812646 -0.7254486 5.700747 
1 1 1  -32    4    5 o 52.26643 1.244107  31.24286 1.040476   30.70000 1.900000   31.90000 2.300000   51.76777 1.602632   52.76510   1.903359 -0.9973335 2.488214 
1 1 1  -32    4    6 o 64.04012 1.213555  47.14400 1.242000   48.80000 2.300000   45.20000 2.700000   65.26983 1.538704   62.81041   1.877033 2.459415 2.427110 
1 1 1  -32    4    7 o 129.6440 1.536260  192.6070 3.224806   191.7000 6.500000   193.5000 6.400000   129.3401 2.194421   129.9478   2.150556 -0.6077271 3.072519 
1 1 1  -32    4    8 o 136.6958 1.482566  214.3771 3.270229   220.1000 6.300000   208.2000 6.800000   138.5999 1.984802   134.7916   2.202854 3.808334 2.965132 
1 1 1  -32    4    9 o 129.1803 1.422503  191.0899 2.973109   179.1000 5.800000   203.7000 6.100000   125.0247 2.025686   133.3359   1.997664 -8.311249 2.845006 
1 1 1  -32    4   10 o 128.1596 1.445933  188.2233 2.999167   189.6000 5.900000   186.8000 6.100000   128.6380 2.002730   127.6812   2.086135 0.9567642 2.891866 
1 1 1  -32    4   11 o 117.3711 1.461476  157.8477 2.769369   157.8000 5.300000   157.9000 5.800000   117.3561 1.972014   117.3862   2.157500 -0.3011322E-01 2.922951 
1 1 1  -32    4   12 o 187.6270 1.810802  403.4064 5.492727   407.5000 11.40000   399.6000 10.60000   188.5390 2.640240   186.7151   2.478941 1.823914 3.621604 
1 1 1  -32    4   13 o 295.3581 2.592520  1001.051 12.39496   986.5000 24.30000   1016.200 25.30000   293.1768 3.619231   297.5393   3.712923 -4.362427 5.185039 
1 1 1  -32    4   14 o 163.0250 1.723975  304.6077 4.545055   307.5000 9.400000   301.9000 8.800000   163.7684 2.506325   162.2815   2.367846 1.486969 3.447950 
1 1 1  -32    4   15 o 241.2224 2.271861  667.6273 8.869296   653.3000 17.30000   682.7000 18.20000   238.5764 3.166346   243.8685   3.258783 -5.292114 4.543723 
1 1 1  -32    4   16 o 80.93656 1.298596  74.61470 1.676471   79.70000 3.800000   70.60000 3.000000   83.38236 1.989982   78.49076   1.668947 4.891602 2.597193 
1 1 1  -32    4   17 o 183.4875 1.818540  386.5824 5.398148   379.3000 11.00000   393.6000 10.60000   181.7780 2.642354   185.1969   2.499262 -3.418915 3.637080 
1 1 1  -32    4   18 o 42.72540 1.794497  21.16939 1.224490   17.70000 2.500000   24.50000 2.400000   39.24813 2.781383   46.20268   2.268213 -6.954548 3.588994 
1 1 1  -32    4   19 o 132.7547 1.641209  202.4532 3.520567   203.9000 6.800000   200.9000 7.300000   133.2619 2.228141   132.2475   2.410322 1.014374 3.282418 
1 1 1  -32    4   20 o 131.7896 1.581327  199.4333 3.373333   207.1000 6.900000   192.1000 6.600000   134.2650 2.244016   129.3142   2.228627 4.950821 3.162655 
1 1 1  -32    4   21 o 72.66451 1.477623  60.85217 1.707246   62.20000 3.100000   59.20000 3.800000   73.59354 1.839339   71.73547   2.313073 1.858078 2.955245 
1 1 1  -32    4   22 o 91.40929 1.401860  96.06506 2.074699   99.00000 4.200000   93.20000 4.100000   92.78999 1.976459   90.02859   1.988580 2.761406 2.803719 
1 1 1  -32    4   23 o 71.53421 1.598346  58.95676 1.844595   58.20000 3.500000   59.80000 3.900000   71.07239 2.150339   71.99603   2.365352 -0.9236450 3.196693 
1 1 1  -32    4   24 o 96.48979 1.536056  107.5500 2.400000   108.8000 4.800000   106.3000 4.800000   97.05547 2.159539   95.92412   2.185009 1.131355 3.072111 
1 1 1  -32    4   25 o 22.53011 3.907299  6.756061 1.498485   9.300000 2.300000   2.000000 4.300000   28.08853 3.575514   16.97169   6.948642 11.11684 7.814597 
1 1 1  -32    4   26 o 57.03231 1.722740  37.97143 1.542857   37.80000 2.700000   38.20000 3.600000   57.04096 2.066887   57.02366   2.756685 0.1729965E-01 3.445480 
1 1 1  -32    4   27 o 18.53114 3.989065  4.310769 1.513846   6.600000 2.400000  0.4000000 4.100000   22.56368 4.792490   14.49861   6.378292 8.065071 7.978130 
1 1 1  -32    4   28 o 20.94540 4.477886  6.104226 1.647887   6.800000 2.600000   4.900000 4.500000   22.66611 5.128600   19.22468   7.341887 3.441433 8.955771 
1 1 1  -32    4   29 o 53.37721 2.220673  34.64865 1.740541   34.80000 2.800000   34.40000 4.600000   54.27965 2.252479   52.47477   3.827780 1.804878 4.441347 
1 1 1  -32    6    1 o 37.98905 2.111306  16.53846 1.292308   15.20000 2.400000   18.10000 2.800000   36.33884 2.883898   39.63927   3.084410 -3.300430 4.222612 
1 1 1  -32    6    2 o 129.1263 1.590663  191.3692 3.320301   193.6000 6.900000   189.3000 6.400000   129.8401 2.320492   128.4124   2.176270 1.427658 3.181325 
1 1 1  -32    6    3 o 50.81444 1.701858  29.61072 1.398214   32.20000 2.900000   27.20000 2.700000   52.95779 2.391156   48.67109   2.422325 4.286697 3.403717 
1 1 1  -32    6    4 o 140.6240 1.690671  227.0000 3.850000   228.0000 7.700000   226.0000 7.700000   140.9345 2.385684   140.3135   2.396244 0.6210327 3.381342 
1 1 1  -32    6    5 o 126.0084 1.531573  182.1032 3.123200   184.1000 6.400000   180.2000 6.100000   126.6787 2.206054   125.3382   2.125133 1.340508 3.063146 
1 1 1  -32    6    6 o 160.1072 1.803075  294.0422 4.671658   288.3000 9.100000   300.1000 9.600000   158.5074 2.506868   161.7070   2.592282 -3.199524 3.606149 
1 1 1  -32    6    7 o 93.48143 1.470905  100.2169 2.222472   99.70000 4.600000   100.7000 4.300000   93.24364 2.154162   93.71922   2.003455 -0.4755783 2.941810 
1 1 1  -32    6    8 o 137.0484 1.589076  215.4447 3.523404   213.3000 7.200000   217.5000 6.900000   136.3749 2.305355   137.7219   2.187690 -1.347000 3.178152 
1 1 1  -32    6    9 o 122.9577 1.506467  173.2067 2.996667   167.6000 5.800000   179.2000 6.200000   120.9035 2.094734   125.0119   2.165609 -4.108421 3.012934 
1 1 1  -32    6   10 o 89.24702 1.383289  91.11500 1.995000   97.10000 4.200000   85.70000 3.800000   92.03065 1.992767   86.46339   1.919071 5.567253 2.766578 
1 1 1  -32    6   11 f 160.4865 1.722007  295.3771 4.471509   299.9000 9.200000   291.1000 8.700000   161.6751 2.484760   159.2978   2.384784 2.377258 3.444013 
1 1 1  -32    6   12 f 71.82153 1.397650  59.16000 1.624615   58.50000 3.300000   59.80000 3.200000   71.42481 2.017458   72.21825   1.934830 -0.7934341 2.795300 
1 1 1  -32    6   13 o 151.4808 1.661286  263.3104 4.073620   265.5000 8.300000   261.2000 8.000000   152.0942 2.382896   150.8673   2.315445 1.226913 3.322572 
1 1 1  -32    6   14 o 151.8713 1.576076  264.6323 3.870968   266.8000 8.000000   262.6000 7.500000   152.4642 2.291194   151.2784   2.164831 1.185791 3.152152 
1 1 1  -32    6   15 o 92.86969 1.462711  98.84091 2.195454   95.50000 4.200000   102.5000 4.600000   91.23301 2.010189   94.50637   2.125379 -3.273361 2.925423 
1 1 1  -32    6   16 o 53.08325 1.686182  32.26897 1.443103   34.30000 3.100000   30.50000 2.700000   54.63414 2.477634   51.53235   2.287829 3.101791 3.372363 
1 1 1  -32    6   17 o 25.85454 3.098561  7.950000 1.250000   6.400000 2.500000   9.500000 2.500000   23.04035 4.889292   28.66874   3.807774 -5.628386 6.197122 
1 1 1  -32    6   18 f 38.24265 2.140865  17.11539 1.298077   14.00000 2.700000   20.00000 2.500000   34.80686 3.387183   41.67843   2.619198 -6.871567 4.281729 
1 1 1  -32    6   19 o 124.0911 1.605163  177.0240 3.220155   180.4000 6.700000   173.9000 6.200000   125.2126 2.336504   122.9696   2.201576 2.243034 3.210325 
1 1 1  -32    6   20 o 54.22504 1.801135  34.02381 1.571429   35.50000 3.000000   32.40000 3.300000   55.49330 2.360589   52.95678   2.721022 2.536518 3.602269 
1 1 1  -32    6   21 o 61.30799 1.611582  43.32031 1.598437   44.30000 3.300000   42.40000 3.100000   61.97102 2.325225   60.64497   2.232064 1.326046 3.223163 
1 1 1  -32    6   22 f 61.24377 1.692226  43.44030 1.674627   47.50000 3.400000   39.50000 3.300000   64.08594 2.316626   58.40160   2.467339 5.684338 3.384452 
1 1 1  -32    6   23 o 29.43850 3.017541  10.38947 1.414035   10.80000 2.600000   9.900000 3.100000   30.21435 3.757507   28.66264   4.722643 1.551712 6.035082 
1 1 1  -32    6   24 o 60.22535 1.927016  42.49600 1.874667   46.60000 3.800000   38.50000 3.700000   63.14397 2.627795   57.30673   2.819264 5.837238 3.854031 
1 1 1  -32    6   25 o 24.68519 3.946916  7.990323 1.543548   9.800000 3.300000   6.400000 2.900000   27.42528 5.446208   21.94511   5.714139 5.480167 7.893831 
1 1 1  -32    6   26 o 27.49543 3.146809  9.713461 1.251923   8.700000 3.100000   10.40000 2.100000   25.50247 5.471733   29.48838   3.109625 -3.985918 6.293618 
1 1 1  -32    6   27 o 17.21931 4.194140  3.950000 1.450000   2.800000 2.900000   5.100000 2.900000   15.38139 5.889156   19.05722   5.973366 -3.675836 8.388281 
1 1 1  -32    8    1 o 56.45630 1.854809  37.13881 1.665672   40.10000 3.100000   33.70000 3.600000   58.96929 2.295490   53.94331   2.914101 5.025978 3.709617 
1 1 1  -32    8    2 o 50.59880 1.962310  29.66875 1.593750   30.70000 3.000000   28.50000 3.400000   51.57737 2.539813   49.62023   2.991988 1.957142 3.924620 
1 1 1  -32    8    3 o 65.20042 2.515974  49.79495 2.165657   50.70000 3.200000   47.90000 6.700000   66.39306 2.104588   64.00777   4.570690 2.385284 5.031947 
1 1 1  -32    8    4 o 83.07442 1.507092  79.37778 2.024691   73.60000 4.000000   85.30000 4.100000   80.00365 2.183182   86.14520   2.078225 -6.141541 3.014183 
1 1 1  -32    8    5 o 54.20399 1.539150  33.80000 1.350000   35.30000 2.700000   32.30000 2.700000   55.41236 2.127634   52.99562   2.224659 2.416737 3.078300 
1 1 1  -32    8    6 o 76.68822 1.495812  67.47028 1.828378   66.40000 3.300000   68.80000 4.100000   76.03572 1.895117   77.34071   2.314810 -1.304993 2.991624 
1 1 1  -32    8    7 o 43.07420 1.726725  22.09783 1.141304   26.80000 2.100000   16.50000 2.500000   48.31077 1.898082   37.83764   2.885066 10.47314 3.453450 
1 1 1  -32    8    8 o 47.61479 1.902862  26.15517 1.422414   26.50000 2.500000   25.70000 3.300000   48.01578 2.273504   47.21381   3.052001 0.8019676 3.805723 
1 1 1  -32    8    9 o 92.50373 1.501875  97.85778 2.232222   92.30000 4.100000   104.5000 4.900000   89.65128 1.996950   95.35619   2.243814 -5.704910 3.003749 
1 1 1  -32    8   10 o 149.9765 1.791114  258.8000 4.350000   257.8000 8.700000   259.8000 8.700000   149.6854 2.537930   150.2677   2.528095 -0.5822906 3.582227 
1 1 1  -32    8   11 o 88.27251 1.574566  89.60001 2.250000   86.90000 4.500000   92.30000 4.500000   86.93690 2.260206   89.60811   2.192830 -2.671211 3.149132 
1 1 1  -32    8   12 o 103.4985 2.148584  122.4092 3.307801   128.9000 8.800000   118.5000 5.300000   105.4960 3.642391   101.5011   2.280053 3.994881 4.297168 
1 1 1  -32    8   13 f 133.6690 1.652912  205.3168 3.560839   201.1000 6.700000   210.1000 7.600000   132.2393 2.212351   135.0988   2.456416 -2.859482 3.305825 
1 1 1  -32    8   14 o 24.31220 3.621058  7.207143 1.392857   8.600000 2.600000   5.600000 3.000000   27.18867 4.175660   21.43574   5.917102 5.752928 7.242115 
1 1 1  -32    8   15 o 35.46446 2.493069  14.55088 1.403509   14.20000 2.500000   15.00000 3.200000   35.03036 3.116270   35.89856   3.892357 -0.8681984 4.986139 
1 1 1  -32    8   16 o 127.6172 1.609305  187.6429 3.320301   184.9000 6.400000   190.6000 6.900000   126.6742 2.206131   128.5602   2.343594 -1.885948 3.218610 
1 1 1  -32    8   17 o 17.02275 4.001405  3.158491 1.313208   1.800000 2.400000   4.800000 2.900000   14.20521 5.376853   19.84029   5.927428 -5.635074 8.002810 
1 1 1  -32    8   18 o 62.87753 3.472276  0.000000 0.000000          ?        ?   46.20000 5.000000          ?        ?   62.87753   3.472276       ?       ? 
1 1 1  -32    8   19 o 29.42489 2.907415  10.61569 1.215686   11.40000 2.000000   9.400000 3.100000   31.30312 2.789858   27.54667   5.101856 3.756451 5.814830 
1 1 1  -32    8   20 o 37.55461 2.131333  16.67647 1.270588   18.70000 2.400000   14.40000 2.700000   40.09897 2.613472   35.01025   3.367505 5.088718 4.262666 
1 1 1  -32    8   21 o 19.70510 3.803949  4.958621 1.406897   7.400000 2.400000   1.500000 3.400000   24.40702 4.458020   15.00318   6.164914 9.403842 7.607897 
1 1 1  -32    8   22 o 27.77943 3.345108  9.649153 1.471186   8.700000 2.800000   10.70000 3.100000   26.12114 4.859490   29.43773   4.598298 -3.316589 6.690216 
1 1 1  -32    8   23 o 42.78624 2.236157  21.71613 1.524194   19.80000 2.700000   24.20000 3.500000   40.79813 2.889770   44.77436   3.413331 -3.976234 4.472315 
1 1 1  -32    8   24 o 12.73143 3.614668 0.9812500 1.197917   2.700000 2.500000 -0.6000000 2.300000   15.09496 5.530972   10.36791   4.655282 4.727052 7.229336 
1 1 1  -32    8   25 o 41.81643 2.621593  21.62254 1.766197   20.60000 3.300000   22.80000 3.800000   40.91187 3.522121   42.72099   3.884025 -1.809113 5.243185 
1 1 1  -32   10    1 o 28.35464 3.473202  10.28361 1.521312   11.90000 2.900000   8.500000 3.200000   31.31109 4.044264   25.39820   5.647696 5.912895 6.946404 
1 1 1  -32   10    2 o 16.23090 4.397653  2.165217 1.724638 -0.2000000 3.400000   4.600000 3.500000   13.26292 5.822117   19.19888   6.592446 -5.935959 8.795305 
1 1 1  -32   10    3 o 53.01863 2.131378  32.90411 1.824658   36.30000 3.700000   29.60000 3.600000   55.76240 2.897343   50.27486   3.126737 5.487545 4.262755 
1 1 1  -32   10    4 o 14.42262 4.055868  1.036066 1.524590   3.200000 3.000000  -1.200000 3.100000   16.93957 6.079924   11.90568   5.369804 5.033889 8.111736 
1 1 1  -32   10    5 o 23.88767 4.263786  7.350000 1.650000   7.600000 3.300000   7.100000 3.300000   24.31217 5.970497   23.46316   6.088731 0.8490067 8.527572 
1 1 1  -32   10    6 o 13.61900 3.979841 0.8593220 1.403390   1.600000 2.300000 -0.3000000 3.600000   13.55025 5.230133   13.68775   6.000186 -0.1374941 7.959681 
1 1 1  -32   10    7 o 55.66328 1.933944  36.34118 1.647059   37.70000 2.800000   34.40000 4.000000   57.10464 2.141047   54.22190   3.221254 2.882740 3.867888 
1 1 1  -32   10    8 o 38.07513 2.270337  17.00727 1.338182   17.30000 2.300000   16.60000 3.200000   38.60322 2.601620   37.54705   3.721464 1.056175 4.540675 
1 1 1  -32   10    9 o 33.24094 2.925224  13.07143 1.571429   12.50000 3.000000   13.70000 3.300000   32.50786 4.029698   33.97402   4.241375 -1.466156 5.850447 
1 1 1  -32   10   10 o 45.87838 2.377331  24.81429 1.744286   26.70000 3.300000   22.70000 3.700000   47.84200 3.011926   43.91475   3.679010 3.927250 4.754663 
1 1 1  -32   10   11 o 47.65854 2.253424  26.61304 1.721739   21.40000 3.300000   32.30000 3.600000   42.70978 3.373854   52.60729   2.988108 -9.897511 4.506848 
1 1 1  -32   10   12 o 29.94469 2.810644  10.69815 1.342593   11.30000 2.500000   10.00000 2.900000   30.97208 3.524596   28.91729   4.379052 2.054790 5.621287 
1 1 1  -32   10   13 o 34.16680 2.700428  13.52500 1.458333   11.40000 2.500000   16.50000 3.500000   31.10496 3.509539   37.22865   4.105164 -6.123692 5.400855 
1 1 1  -32   10   14 o 14.80372 4.119431  1.813793 1.365517   1.700000 2.200000   2.000000 3.600000   13.54781 5.143143   16.05963   6.436377 -2.511818 8.238863 
1 1 1  -32   10   15 o 53.81810 2.020550  34.06522 1.681159   35.20000 2.900000   32.50000 4.000000   55.08150 2.298963   52.55471   3.323442 2.526794 4.041101 
1 1 1  -32   10   16 o 23.81067 3.670692  7.160000 1.320000   8.000000 3.300000   6.600000 2.200000   24.62591 5.923688   22.99543   4.336571 1.630478 7.341385 
1 1 1  -32   10   17 o 12.59904 3.848142 0.2578948 1.389474 -0.5000000 2.400000   1.300000 3.300000   10.80319 4.809680   14.39489   6.008308 -3.591699 7.696284 
1 1 1  -32   10   18 o 11.77061 3.658813 -1.572881 1.471186  -4.800000 2.800000   2.000000 3.100000   8.640070 4.228127   14.90116   5.972486 -6.261089 7.317626 
1 1 1  -32   10   19 o 19.41397 3.593345  3.291304 1.721739   10.80000 3.300000  -4.900000 3.600000   28.65211 5.221563   10.17582   4.937994 18.47630 7.186689 
1 1 1  -32   10   20 o 22.49615 4.170319  6.977419 1.548387   6.100000 3.200000   7.800000 3.000000   20.92886 6.220540   24.06345   5.556180 -3.134588 8.340638 
1 1 1  -32   10   21 o 46.51695 2.723871  26.72683 2.039024   25.80000 3.800000   27.80000 4.400000   45.85395 3.618650   47.17995   4.072255 -1.326000 5.447741 
1 1 1  -32   12    3 o 13.36616 3.913703 0.9081967 1.504918   2.900000 2.700000  -1.600000 3.400000   15.22946 5.716465   11.50287   5.346991 3.726585 7.827405 
1 1 1  -32   12    4 o 12.03014 3.869467 -0.8060606 1.648485  -1.000000 3.200000 -0.6000000 3.400000   11.70005 5.346989   12.36023   5.594712 -0.6601839 7.738933 
1 1 1  -32   12    5 o 14.97184 4.669384  1.217647 1.764706  0.6000000 2.500000   2.700000 6.000000   12.04875 5.138801   17.89492   7.797776 -5.846177 9.338768 
1 1 1  -32   12    6 f 13.10522 3.866627      0.09 1.454237  -2.600000 2.600000   3.500000 3.300000   9.383349 4.457858   16.82708   6.319076 -7.443730 7.733253 
1 1 1  -32   12    7 o 32.12518 3.926633  13.80000 1.950000   17.20000 3.900000   10.40000 3.900000   36.98066 4.605001   27.26969   6.361428 9.710964 7.853267 
1 1 1  -32   12    8 o 18.12082 4.438196  3.894366 1.774648  0.7000000 3.600000   7.000000 3.500000   13.99566 6.069545   22.24598   6.476956 -8.250326 8.876392 
1 1 1  -32   12    9 o 24.24844 4.608263  8.279730 1.828378   9.000000 4.100000   7.700000 3.300000   24.91744 6.931982   23.57944   6.073878 1.338003 9.216527 
1 1 1  -32   12   10 o 17.56169 4.109245  3.269492 1.352542  0.6000000 2.100000   8.100000 3.800000   11.34369 4.767728   23.77969   6.694203 -12.43601 8.218491 
1 1 1  -32   12   11 o 14.74476 4.377407  1.580000 1.680000  0.9000000 2.800000   2.600000 4.200000   12.97139 5.481367   16.51813   6.826521 -3.546739 8.754814 
1 1 1  -32   12   12 o 37.03580 3.046820  17.13288 1.824658   18.40000 3.700000   15.90000 3.600000   38.46369 4.200399   35.60790   4.414645 2.855785 6.093639 
1 1 1  -32   12   13 o 29.57513 3.179914  10.83443 1.475410   9.400000 2.500000   12.90000 3.600000   27.55215 3.962088   31.59810   4.974864 -4.045950 6.359828 
1 1 1  -32   12   14 o 39.19144 3.042169  19.53553 1.898684   15.30000 3.700000   24.00000 3.900000   34.45060 4.689695   43.93229   3.876328 -9.481693 6.084337 
1 1 1  -32   12   15 o 20.43138 4.539798  6.182089 1.656716   6.900000 3.700000   5.600000 3.000000   21.24155 6.758345   19.62122   6.063319 1.620335 9.079596 
1 1 1  -31    1    1 o 41.25278 1.813678  18.81250 1.097917   16.90000 1.700000   22.30000 3.100000   38.40659 1.932782   44.09897   3.069538 -5.692383 3.627356 
1 1 1  -31    1    2 o 218.1374 2.254455  544.0728 7.127273   540.4000 11.20000   550.5000 19.60000   217.1847 2.251793   219.0901   3.906366 -1.905411 4.508910 
1 1 1  -31    1    3 o 101.6839 1.550832  118.7214 2.250000   119.4000 3.500000   117.5000 6.300000   102.1038 1.496807   101.2641   2.716595 0.8397446 3.101664 
1 1 1  -31    1    4 o 106.2009 1.410172  129.4323 2.129032   130.0000 3.300000   128.4000 6.000000   106.5410 1.352498   105.8607   2.474892 0.6803513 2.820344 
1 1 1  -31    1    5 o 297.7441 2.962262  1020.896 12.54845   1030.700 19.50000   1003.200 35.20000   299.8989 2.839222   295.5892   5.199885 4.309692 5.924525 
1 1 1  -31    1    6 o 254.9120 3.112572  744.8934 12.84047   714.3000 25.00000   777.2000 26.40000   249.5373 4.374659   260.2867   4.428858 -10.74933 6.225144 
1 1 1  -31    1    7 o 405.7874 4.797524  1892.034 31.49484   1930.900 65.00000   1855.500 61.10000   409.7943 6.926074   401.7806   6.640365 8.013672 9.595048 
1 1 1  -31    1    8 o 277.3251 3.439487  877.1744 15.29450   820.0000 27.80000   947.1000 34.00000   267.3738 4.540101   287.2763   5.167956 -19.90247 6.878974 
1 1 1  -31    1    9 f 138.9904 1.964483  220.4073 4.401130   204.1000 8.200000   239.3000 9.500000   133.4677 2.682733   144.5131   2.870491 -11.04539 3.928966 
1 1 1  -31    1   10 o 278.9578 2.671422  887.3831 10.75632   909.6000 29.90000   874.9000 16.80000   281.5832 4.636648   276.3324   2.654711 5.250854 5.342845 
1 1 1  -31    1   11 o 62.16576 1.484470  45.54035 1.371930   38.80000 3.400000   50.10000 2.300000   58.19265 2.551235   66.13886   1.518486 -7.946213 2.968939 
1 1 1  -31    1   12 o 128.2596 1.607309  186.3761 3.000769   196.4000 8.300000   180.7000 4.700000   130.9146 2.768405   125.6046   1.633924 5.310005 3.214619 
1 1 1  -31    1   13 o 144.6104 1.699569  240.0516 3.677419   237.6000 9.500000   241.6000 6.000000   143.9887 2.880945   145.2322   1.803965 -1.243484 3.399137 
1 1 1  -31    1   14 o 296.2513 2.637280  1005.902 12.63735   993.7000 24.50000   1018.900 26.10000   294.4063 3.633781   298.0965   3.823168 -3.690216 5.274559 
1 1 1  -31    1   15 o 312.2552 2.689662  1118.048 13.59706   1125.100 27.60000   1111.200 26.80000   313.2203 3.847680   311.2902   3.759318 1.930115 5.379323 
1 1 1  -31    1   16 o 172.6230 1.833274  341.4219 5.121951   348.9000 10.50000   334.3000 10.00000   174.4652 2.627968   170.7807   2.556825 3.684586 3.666547 
1 1 1  -31    1   17 o 287.0713 2.509650  945.4717 11.61373   943.3000 22.00000   947.9000 24.60000   286.7545 3.350057   287.3882   3.737713 -0.6336670 5.019300 
1 1 1  -31    1   18 f 164.7146 1.696530  310.9552 4.523757   299.4000 8.900000   322.9000 9.200000   161.6029 2.404808   167.8262   2.393689 -6.223267 3.393059 
1 1 1  -31    1   19 o 38.48581 2.949935  17.00000 2.600000   17.00000 2.600000          ?        ?   38.48581 2.949935          ?          ?       ?       ? 
1 1 1  -31    1   20 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -31    1   21 o 108.0693 1.499807  133.9200 2.622857   127.8000 5.100000   140.4000 5.400000   105.5306 2.110239   110.6081   2.131801 -5.077484 2.999614 
1 1 1  -31    1   22 o 96.56356 1.489693  106.4935 2.292473   112.7000 5.200000   101.6000 4.100000   99.04077 2.292604   94.08635   1.902817 4.954422 2.979386 
1 1 1  -31    1   23 o 33.44980 2.562043  13.70392 1.215686   10.30000 3.100000   15.90000 2.000000   29.72518 4.553831   37.17443   2.349229 -7.449247 5.124086 
1 1 1  -31    1   24 o 88.93928 1.597000  91.10000 2.300000   92.00000 4.600000   90.20000 4.600000   89.38114 2.247251   88.49741   2.269692 0.8837280 3.194001 
1 1 1  -31    1   25 o 28.33113 2.748749  8.833334 1.192157   6.300000 1.900000   13.10000 3.200000   23.24819 3.568652   33.41407   4.181771 -10.16588 5.497498 
1 1 1  -31    1   26 o 60.75256 1.806145  42.85634 1.774648   46.00000 3.600000   39.80000 3.500000   62.96892 2.496410   58.53621   2.610857 4.432709 3.612290 
1 1 1  -31    1   27 o 70.57274 1.780219  57.98889 2.009876   57.50000 4.400000   58.40000 3.700000   70.19684 2.737000   70.94864   2.277180 -0.7518005 3.560438 
1 1 1  -31    1   28 o 10.80728 3.503271 -1.312727 1.352727  -1.200000 3.100000  -1.400000 2.400000   11.65994 5.303031   9.954620   4.579247 1.705322 7.006543 
1 1 1  -31    1   29 o 10.32420 3.489109 -3.472727 1.636364  -2.700000 3.000000  -4.400000 3.600000   10.21609 4.834553   10.43230   5.032159 -0.2162104 6.978218 
1 1 1  -31    1   30 o 24.00776 4.332353  8.327941 1.663235   8.200000 2.900000   8.500000 3.900000   24.41859 5.334994   23.59694   6.827515 0.8216553 8.664705 
1 1 1  -31    3    1 o 99.11752 1.611975  112.2878 2.155102   111.7000 3.200000   113.5000 6.600000   98.74940 1.414996   99.48563   2.896832 -0.7362366 3.223949 
1 1 1  -31    3    2 o 184.0115 2.161559  391.2382 5.652033   398.5000 8.800000   378.2000 15.80000   186.4898 2.060475   181.5332   3.800499 4.956558 4.323118 
1 1 1  -31    3    3 o 32.78719 2.454578  11.87500 0.9000000   11.40000 1.200000   13.30000 3.600000   31.54641 1.661005   34.02797   4.619619 -2.481560 4.909156 
1 1 1  -31    3    4 o 264.5729 2.744237  800.2907 10.37792   794.0000 16.10000   811.7000 29.20000   263.2265 2.670767   265.9193   4.794825 -2.692749 5.488473 
1 1 1  -31    3    5 o 236.5060 2.608021  642.8661 8.626772   646.4000 13.20000   636.2000 24.90000   237.5300 2.426584   235.4820   4.617228 2.047928 5.216043 
1 1 1  -31    3    6 o 161.4335 2.014329  290.7600 4.200000   278.4000 6.000000   319.6000 14.00000   155.9057 1.680463   166.9613   3.661439 -11.05562 4.028658 
1 1 1  -31    3    7 o 120.5712 1.567363  167.0832 2.821849   168.9000 4.600000   164.2000 7.300000   121.4346 1.654075   119.7079   2.662808 1.726692 3.134727 
1 1 1  -31    3    8 o 199.7135 2.266582  450.1344 6.724653   486.9000 18.10000   428.4000 10.70000   206.0588 3.835545   193.3682   2.416230 12.69060 4.533164 
1 1 1  -31    3    9 o 208.8116 1.877916  499.4693 6.346457   492.0000 12.40000   507.3000 13.00000   207.2153 2.613001   210.4079   2.697870 -3.192612 3.755832 
1 1 1  -31    3   10 o 243.8661 2.172016  681.5606 8.569097   683.1000 17.60000   680.1000 16.70000   244.1289 3.147989   243.6034   2.993456 0.5254974 4.344032 
1 1 1  -31    3   11 o 427.9320 3.611161  2101.832 25.02198   2077.700 49.50000   2126.500 50.60000   425.4537 5.080338   430.4102   5.133430 -4.956512 7.222322 
1 1 1  -31    3   12 o 211.7005 1.961728  513.5588 6.724907   511.2000 13.50000   515.9000 13.40000   211.2153 2.790925   212.1858   2.757580 -0.9705505 3.923457 
1 1 1  -31    3   13 o 218.0294 2.017573  544.1526 7.114386   568.3000 14.80000   521.8000 13.70000   222.6785 2.902172   213.3804   2.803534 9.298096 4.035146 
1 1 1  -31    3   14 o 259.7789 2.335208  773.2000 9.810687   748.0000 18.90000   800.4000 20.40000   255.3908 3.231441   264.1671   3.372028 -8.776245 4.670416 
1 1 1  -31    3   15 o 233.3665 2.202950  624.5261 8.324325   627.2000 16.80000   621.9000 16.50000   233.8591 3.136857   232.8738   3.093877 0.9853210 4.405899 
1 1 1  -31    3   16 o 44.36572 2.027518  22.32414 1.406897   24.20000 3.400000   21.00000 2.400000   45.92944 3.232418   42.80200   2.448425 3.127438 4.055035 
1 1 1  -31    3   17 o 201.9590 1.903377  467.7301 6.224096   457.9000 12.30000   477.8000 12.60000   199.8116 2.687968   204.1064   2.695589 -4.294739 3.806754 
1 1 1  -31    3   18 o 123.8990 1.470268  175.9542 2.949153   178.7000 6.000000   173.3000 5.800000   124.8481 2.098500   122.9500   2.059867 1.898079 2.940536 
1 1 1  -31    3   19 o 31.27015 2.638720  11.32642 1.324528   12.70000 2.600000   9.900000 2.700000   33.22824 3.416691   29.31206   4.022139 3.916174 5.277441 
1 1 1  -31    3   20 o 153.0182 1.675248  268.8892 4.149397   265.6000 8.400000   272.1000 8.200000   152.0858 2.411739   153.9507   2.325798 -1.864868 3.350496 
1 1 1  -31    3   21 f 93.35063 1.481326  100.5449 2.222472   109.0000 4.300000   91.50000 4.600000   97.45211 1.926713   89.24916   2.250574 8.202950 2.962652 
1 1 1  -31    3   22 o 80.44348 1.639297  73.71567 1.915663   71.80000 3.000000   77.10000 5.300000   79.09731 1.656148   81.78965   2.829549 -2.692337 3.278594 
1 1 1  -31    3   23 f 67.44353 1.636144  52.98696 1.643478   55.10000 2.700000   49.70000 4.200000   69.26612 1.702090   65.62094   2.794773 3.645180 3.272288 
1 1 1  -31    3   24 f 44.97067 2.207038  24.36393 1.504918   29.10000 2.700000   18.40000 3.400000   50.22620 2.347325   39.71514   3.738200 10.51106 4.414076 
1 1 1  -31    3   25 o 83.07751 1.778598  80.47659 2.297872   83.20000 4.000000   76.80000 5.400000   84.90202 2.057225   81.25300   2.901978 3.649017 3.557197 
1 1 1  -31    3   26 o 83.12360 1.794429  81.44256 2.297872   87.40000 4.000000   73.40000 5.400000   86.97097 2.008285   79.27624   2.974339 7.694733 3.588858 
1 1 1  -31    3   27 o 32.25151 3.355155  13.22576 1.625758   14.50000 2.900000   11.60000 3.700000   34.73424 3.645692   29.76879   5.633576 4.965452 6.710310 
1 1 1  -31    3   28 o 29.30489 4.014562  11.02162 1.740541   8.600000 2.800000   15.00000 4.600000   25.66951 4.942332   32.94026   6.327732 -7.270752 8.029124 
1 1 1  -31    3   29 o 45.04126 2.649774  24.81600 1.778667   24.70000 2.900000   25.00000 4.600000   45.57162 2.778710   44.51089   4.512646 1.060730 5.299547 
1 1 1  -31    5    1 o 59.21461 1.537955  40.04237 1.464407   37.80000 2.700000   42.70000 3.200000   57.41573 2.053396   61.01349   2.290149 -3.597759 3.075909 
1 1 1  -31    5    2 o 89.99065 1.398787  93.08765 2.009876   95.60000 3.700000   90.10000 4.400000   91.33320 1.768939   88.64809   2.167320 2.685112 2.797574 
1 1 1  -31    5    3 o 138.6647 1.626238  220.3575 3.643836   218.2000 7.000000   222.7000 7.600000   137.9633 2.215513   139.3662   2.381199 -1.402985 3.252477 
1 1 1  -31    5    4 o 43.34998 1.895497  21.54528 1.313208   21.50000 2.400000   21.60000 2.900000   43.30559 2.419954   43.39438   2.918127 -0.8879471E-01 3.790995 
1 1 1  -31    5    5 o 56.99009 1.450352  37.49811 1.324528   42.60000 2.600000   32.20000 2.700000   60.97512 1.861917   53.00506   2.224263 7.970058 2.900704 
1 1 1  -31    5    6 o 113.7591 1.520202  148.3018 2.799107   148.4000 5.500000   148.2000 5.700000   113.7991 2.110395   113.7191   2.188673 0.7993317E-01 3.040404 
1 1 1  -31    5    7 o 152.8065 1.606622  267.6019 3.974843   275.3000 8.000000   260.0000 7.900000   154.9917 2.253830   150.6213   2.290237 4.370453 3.213244 
1 1 1  -31    5    8 o 11.83819 3.090968  1.156250 0.7968750   1.900000 1.700000  0.5000000 1.500000   13.44511 4.594985   10.23127   4.135509 3.213837 6.181935 
1 1 1  -31    5    9 o 50.52161 1.437361  29.20851 1.170213   28.60000 2.200000   29.90000 2.500000   49.96195 1.922751   51.08127   2.137066 -1.119324 2.874722 
1 1 1  -31    5   10 o 174.4828 1.858626  349.0114 5.249524   363.7000 10.60000   334.6000 10.40000   178.1222 2.598529   170.8434   2.658121 7.278748 3.717252 
1 1 1  -31    5   11 o 205.7953 3.016454  486.3470 10.04105   483.0000 19.50000   489.9000 20.70000   205.0822 4.151896   206.5085   4.376956 -1.426346 6.032908 
1 1 1  -31    5   12 o 300.9564 2.745212  1039.765 13.36150   1047.400 27.60000   1032.600 25.90000   302.0039 3.990582   299.9090   3.770943 2.094879 5.490425 
1 1 1  -31    5   13 o 137.1118 1.531421  215.4316 3.399265   207.5000 6.700000   223.6000 6.900000   134.5500 2.174356   139.6735   2.157123 -5.123444 3.062842 
1 1 1  -31    5   14 o 342.6305 3.038339  1350.492 16.84629   1373.200 33.20000   1327.100 34.20000   345.5900 4.194852   339.6711   4.396502 5.918915 6.076678 
1 1 1  -31    5   15 o 29.69365 2.389040  10.06739 1.141304   11.10000 2.500000   9.200000 2.100000   31.08261 3.512063   28.30469   3.239669 2.777922 4.778080 
1 1 1  -31    5   16 o 142.4774 1.787955  232.8303 4.121212   236.9000 8.500000   229.0000 8.000000   143.6789 2.583246   141.2758   2.472645 2.403061 3.575910 
1 1 1  -31    5   17 o 59.94193 1.468322  41.05263 1.414035   39.00000 2.600000   43.50000 3.100000   58.31264 1.946930   61.57121   2.198486 -3.258560 2.936644 
1 1 1  -31    5   18 f 70.62773 1.485687  57.09412 1.694118   53.80000 3.200000   60.80000 3.600000   68.47311 2.040655   72.78235   2.159813 -4.309235 2.971374 
1 1 1  -31    5   19 o 77.04984 1.564847  68.24615 1.948718   70.00000 3.800000   66.40000 4.000000   78.07601 2.125229   76.02367   2.297475 2.052338 3.129695 
1 1 1  -31    5   20 o 154.3241 1.680557  273.7714 4.197619   268.5000 8.200000   279.3000 8.600000   152.8119 2.343130   155.8363   2.409736 -3.024429 3.361114 
1 1 1  -31    5   21 o 102.1119 1.451435  119.8500 2.400000   119.0000 4.800000   120.7000 4.800000   101.7484 2.059933   102.4754   2.045320 -0.7269592 2.902871 
1 1 1  -31    5   22 o 47.49371 2.016709  26.10323 1.548387   26.20000 3.000000   26.00000 3.200000   47.60172 2.751936   47.38570   2.948780 0.2160187 4.033418 
1 1 1  -31    5   23 o 42.49583 2.227908  20.96557 1.504918   20.70000 2.700000   21.30000 3.400000   42.26221 2.789660   42.72944   3.474493 -0.4672279 4.455816 
1 1 1  -31    5   24 o 22.51866 4.032887  6.457627 1.474576   6.900000 2.900000   6.000000 3.000000   23.34427 5.512601   21.69304   5.887950 1.651234 8.065775 
1 1 1  -31    5   25 o 35.80423 2.341404  15.27170 1.301887   16.40000 2.300000   13.80000 3.000000   37.51236 2.677276   34.09610   3.841991 3.416264 4.682809 
1 1 1  -31    5   26 o 32.20576 3.144366  12.98852 1.455738   13.50000 2.400000   12.20000 3.700000   33.74100 3.105940   30.67053   5.468206 3.070469 6.288732 
1 1 1  -31    5   27 o 48.80276 2.162836  28.47206 1.686765   28.20000 3.700000   28.70000 3.100000   48.39482 3.338432   49.21069   2.750692 -0.8158607 4.325671 
1 1 1  -31    5   28 o 16.76223 4.408077  3.072727 1.553030  0.8000000 2.500000   6.800000 4.100000   12.23992 5.176225   21.28454   7.136615 -9.044626 8.816154 
1 1 1  -31    7    1 o 43.08334 2.113124  21.09153 1.440678   19.10000 2.500000   23.80000 3.400000   40.74171 2.679418   45.42496   3.268316 -4.683254 4.226248 
1 1 1  -31    7    2 o 98.58867 1.440832  111.6000 2.300000   109.5000 4.600000   113.7000 4.600000   97.65857 2.056777   99.51878   2.018331 -1.860207 2.881665 
1 1 1  -31    7    3 o 92.27377 1.505953  97.75000 2.250000   96.00000 4.500000   99.50000 4.500000   91.44564 2.148767   93.10191   2.110540 -1.656265 3.011906 
1 1 1  -31    7    4 o 81.04680 1.639371  74.91860 2.120930   70.50000 3.800000   80.50000 4.800000   78.37815 2.117036   83.71545   2.503660 -5.337303 3.278743 
1 1 1  -31    7    5 o 129.1418 1.543302  191.2481 3.215504   194.2000 6.800000   188.6000 6.100000   130.0731 2.282764   128.2104   2.077524 1.862701 3.086603 
1 1 1  -31    7    6 o 60.55236 1.682504  42.06061 1.648485   40.80000 3.200000   43.40000 3.400000   59.61950 2.343697   61.48522   2.414615 -1.865726 3.365008 
1 1 1  -31    7    7 o 94.38531 1.472959  102.1556 2.245556   103.2000 4.700000   101.2000 4.300000   94.84020 2.163939   93.93041   1.998950 0.9097900 2.945918 
1 1 1  -31    7    8 o 134.1680 1.564867  206.5125 3.399265   209.1000 6.900000   204.0000 6.700000   134.9939 2.231899   133.3421   2.194053 1.651810 3.129735 
1 1 1  -31    7    9 o 78.03539 1.286684  69.64615 1.615385   72.50000 3.500000   67.20000 3.000000   79.51001 1.922144   76.56078   1.711018 2.949234 2.573368 
1 1 1  -31    7   10 o 65.82172 1.363884  49.54483 1.434483   51.20000 3.200000   48.20000 2.600000   66.80608 2.091576   64.83735   1.751006 1.968735 2.727767 
1 1 1  -31    7   11 o 14.69106 3.493145  1.559575 1.174468  -1.300000 2.400000   4.300000 2.300000   10.42226 4.710544   18.95987   5.159363 -8.537609 6.986290 
1 1 1  -31    7   12 o 93.24821 1.407251  99.74000 2.124706   98.90000 4.200000   100.6000 4.300000   92.85220 1.975135   93.64424   2.005059 -0.7920456 2.814502 
1 1 1  -31    7   13 o 178.3162 1.820892  365.4286 5.238095   362.6000 11.00000   368.0000 10.00000   177.6270 2.704104   179.0053   2.439348 -1.378281 3.641785 
1 1 1  -31    7   14 o 97.48744 1.570467  108.8455 2.454545   112.5000 5.400000   105.8000 4.500000   98.96369 2.382635   96.01120   2.046588 2.952492 3.140935 
1 1 1  -31    7   15 o 15.95449 3.596218  2.546808 1.174468   4.700000 2.300000  0.3000000 2.400000   19.72916 5.064681   12.17981   5.106871 7.549355 7.192435 
1 1 1  -31    7   16 o 36.54858 2.025535  15.27917 1.191667   13.40000 2.200000   17.50000 2.600000   34.11649 2.815776   38.98066   2.912486 -4.864178 4.051070 
1 1 1  -31    7   17 o 77.14600 1.520719  68.37763 1.898684   71.20000 3.900000   65.70000 3.700000   78.69437 2.164017   75.59762   2.137142 3.096756 3.041438 
1 1 1  -31    7   18 o 88.52951 1.641606  89.78723 2.323404   85.90000 4.200000   94.60000 5.200000   86.43121 2.121868   90.62782   2.505425 -4.196617 3.283212 
1 1 1  -31    7   19 o 44.20946 1.962810  22.54643 1.383929   22.10000 2.500000   23.10000 3.100000   43.76115 2.494543   44.65776   3.031129 -0.8966064 3.925619 
1 1 1  -31    7   20 f 40.01896 2.391367  18.55161 1.543548   16.40000 2.900000   21.00000 3.300000   37.55029 3.372287   42.48763   3.391495 -4.937347 4.782735 
1 1 1  -31    7   21 o 33.98631 2.641949  13.76316 1.421053   11.50000 3.000000   15.80000 2.700000   31.17901 4.201444   36.79360   3.204285 -5.614588 5.283898 
1 1 1  -31    7   22 o 19.96767 3.745989  5.096154 1.282692   3.200000 2.900000   6.600000 2.300000   16.82534 5.984203   23.10999   4.507665 -6.284645 7.491978 
1 1 1  -31    7   23 o 12.33439 3.804501 -0.2206897 1.448276  0.6000000 2.800000  -1.100000 3.000000   12.98678 5.484262   11.68200   5.274446 1.304787 7.609003 
1 1 1  -31    7   24 o 38.45491 2.591313  17.85000 1.600000   15.30000 3.200000   20.40000 3.200000   35.55938 3.929484   41.35044   3.379166 -5.791058 5.182625 
1 1 1  -31    7   25 o 21.28629 4.509582  6.382857 1.737143   4.700000 3.800000   7.800000 3.200000   18.73631 6.826035   23.83627   5.894961 -5.099958 9.019164 
1 1 1  -31    7   26 o 23.10048 4.693800  7.750000 1.850000   7.500000 3.700000   8.000000 3.700000   22.70284 6.673648   23.49812   6.602232 -0.7952766 9.387601 
1 1 1  -31    9    1 o 30.88443 3.604690  12.01493 1.674627   7.600000 3.400000   16.30000 3.300000   24.52291 6.083392   37.24596   3.868783 -12.72306 7.209379 
1 1 1  -31    9    2 o 51.07612 1.965829  30.20923 1.624615   29.60000 3.300000   30.80000 3.200000   50.55463 2.850314   51.59761   2.708072 -1.042976 3.931659 
1 1 1  -31    9    3 o 40.87489 2.326992  19.54426 1.524590   16.80000 3.100000   22.20000 3.000000   37.98099 3.563979   43.76879   2.992929 -5.787800 4.653985 
1 1 1  -31    9    4 o 43.13287 2.332105  21.58462 1.615385   21.40000 3.000000   21.80000 3.500000   42.97629 3.048120   43.28945   3.530414 -0.3131561 4.664210 
1 1 1  -31    9    5 o 46.74259 1.971539  25.35085 1.454237   26.10000 2.600000   24.40000 3.300000   47.58553 2.385822   45.89965   3.139383 1.685879 3.943079 
1 1 1  -31    9    6 o 97.94585 1.702158  110.4296 2.696296   107.3000 5.200000   113.8000 5.600000   96.51926 2.352497   99.37245   2.460717 -2.853195 3.404316 
1 1 1  -31    9    7 o 25.07019 3.934305  7.737500 1.593750   9.800000 3.000000   5.400000 3.400000   28.96239 4.522999   21.17798   6.438751 7.784414 7.868611 
1 1 1  -31    9    8 o 11.59731 3.662289 -1.965000 1.498333  0.5000000 2.900000  -4.600000 3.100000   13.45633 5.625834   9.738285   4.690356 3.718044 7.324578 
1 1 1  -31    9    9 o 76.48254 1.531961  66.50000 1.867105   59.90000 3.300000   75.10000 4.300000   72.18893 1.996104   80.77616   2.324476 -8.587234 3.063922 
1 1 1  -31    9   10 o 34.81471 2.483584  14.04107 1.398214   14.30000 2.900000   13.80000 2.700000   35.11306 3.606360   34.51637   3.415689 0.5966835 4.967168 
1 1 1  -31    9   11 o 56.48937 1.939903  36.78028 1.771831   35.20000 3.400000   38.50000 3.700000   55.23301 2.687943   57.74574   2.797831 -2.512733 3.879806 
1 1 1  -31    9   12 o 18.33607 4.247087  3.377778 1.555556  0.8000000 2.800000   6.600000 3.500000   13.57406 5.588093   23.09809   6.397202 -9.524021 8.494173 
1 1 1  -31    9   13 o 57.75555 1.846974  38.37246 1.707246   36.80000 3.100000   40.30000 3.800000   56.48342 2.396517   59.02769   2.811043 -2.544277 3.693948 
1 1 1  -31    9   14 o 32.59425 3.076402  12.33077 1.606154   10.10000 2.900000   15.10000 3.600000   29.33444 4.316781   35.85406   4.384336 -6.519627 6.152803 
1 1 1  -31    9   15 o 33.94775 2.463992  13.45000 1.350000   12.20000 2.700000   14.70000 2.700000   32.33992 3.645562   35.55557   3.315857 -3.215649 4.927985 
1 1 1  -31    9   16 o 97.54758 1.553139  109.6469 2.433674   106.8000 4.500000   113.0000 5.300000   96.22678 2.042003   98.86838   2.340767 -2.641602 3.106278 
1 1 1  -31    9   17 o 73.41512 1.838141  62.70919 2.174713   54.90000 4.300000   70.70000 4.400000   68.72775 2.731971   78.10247   2.459957 -9.374718 3.676283 
1 1 1  -31    9   18 o 32.93998 2.820444  12.84000 1.493333   10.60000 2.800000   15.40000 3.200000   29.84044 4.097251   36.03953   3.877131 -6.199097 5.640888 
1 1 1  -31    9   19 o 28.92979 3.503573  10.36667 1.555556   10.90000 2.800000   9.700000 3.500000   30.25811 4.040693   27.60146   5.724761 2.656651 7.007146 
1 1 1  -31    9   20 o 12.74899 3.792059 0.5836363 1.352727   1.500000 2.400000 -0.6000000 3.100000   13.31115 5.281376   12.18683   5.442969 1.124320 7.584118 
1 1 1  -31    9   21 f 45.94994 2.111573  25.20000 1.550000   29.80000 3.100000   20.60000 3.100000   50.32126 2.689985   41.57862   3.255602 8.742638 4.223146 
1 1 1  -31    9   22 o 20.02049 4.181577  5.500000 1.450000   5.400000 2.900000   5.600000 2.900000   19.84212 5.927305   20.19887   5.899950 -0.3567505 8.363154 
1 1 1  -31    9   23 o 21.74687 3.657700  6.080645 1.548387   1.000000 3.000000   11.50000 3.200000   13.34990 5.659307   30.14384   4.635441 -16.79395 7.315399 
1 1 1  -31    9   24 o 25.79600 4.232805  9.620000 1.872000   5.300000 3.600000   14.30000 3.900000   18.89970 6.673253   32.69230   5.209054 -13.79260 8.465611 
1 1 1  -31   11    1 o 12.41551 3.775378 0.4142857 1.371429   1.100000 2.400000 -0.5000000 3.200000   12.56787 5.173685   12.26314   5.499718 0.3047342 7.550756 
1 1 1  -31   11    2 o 12.22853 3.766452 -1.416129 1.548387   2.300000 3.200000  -4.900000 3.000000   15.41615 6.104146   9.040914   4.414073 6.375235 7.532904 
1 1 1  -31   11    3 o 26.88095 3.801836  9.425000 1.575000   8.300000 3.600000   10.30000 2.800000   24.70469 6.333337   29.05721   4.207690 -4.352520 7.603671 
1 1 1  -31   11    4 o 17.18873 4.457632  3.461538 1.593846   2.600000 2.800000   4.600000 3.700000   15.43338 5.815810   18.94408   6.757092 -3.510707 8.915264 
1 1 1  -31   11    5 o 12.32516 3.843911 -0.4100000 1.485000  -1.400000 2.700000  0.8000000 3.300000   10.69288 4.895962   13.95744   5.927240 -3.264562 7.687822 
1 1 1  -31   11    6 o 17.56369 4.544811  3.488235 1.694118   2.500000 3.200000   4.600000 3.600000   15.93332 6.163766   19.19407   6.680510 -3.260749 9.089622 
1 1 1  -31   11    7 o 54.49886 2.018925  34.84225 1.774648   39.00000 3.600000   30.80000 3.500000   57.76654 2.721234   51.23118   2.983138 6.535358 4.037849 
1 1 1  -31   11    8 o 47.74184 2.133898  26.71515 1.648485   25.60000 3.200000   27.90000 3.400000   46.72541 2.990450   48.75827   3.044881 -2.032860 4.267797 
1 1 1  -31   11    9 o 34.87914 2.952441  14.24925 1.629851   11.70000 2.800000   17.80000 3.900000   31.33120 3.902300   38.42707   4.431667 -7.095863 5.904881 
1 1 1  -31   11   10 o 17.93946 4.240242  2.875000 1.787500   7.000000 3.300000  -2.000000 3.900000   23.11883 6.132267   12.76009   5.857808 10.35874 8.480484 
1 1 1  -31   11   11 o 41.10590 2.490801  20.50625 1.575000   17.30000 3.600000   23.00000 2.800000   37.89952 4.147710   44.31227   2.759140 -6.412743 4.981602 
1 1 1  -31   11   12 o 20.88745 4.419536  5.772727 1.595455   6.100000 2.700000   5.300000 3.900000   21.62576 5.452888   20.14915   6.956665 1.476610 8.839071 
1 1 1  -31   11   13 o 18.13364 4.482862  4.062121 1.643939   5.600000 3.500000   2.700000 3.100000   20.38177 6.582519   15.88550   6.087254 4.496277 8.965724 
1 1 1  -31   11   14 o 54.73599 2.000880  35.16761 1.766197   32.10000 3.300000   38.70000 3.800000   52.21755 2.759543   57.25443   2.898106 -5.036873 4.001761 
1 1 1  -31   11   15 o 24.49146 4.573142  8.278378 1.837838   8.600000 3.400000   7.900000 4.000000   25.28415 5.967762   23.69877   6.931113 1.585377 9.146284 
1 1 1  -31   11   16 o 24.65382 3.864296  8.150000 1.550000   10.40000 3.100000   5.900000 3.100000   28.69047 4.718063   20.61717   6.121358 8.073296 7.728593 
1 1 1  -31   11   17 o 19.22509 3.771212  4.104839 1.543548   9.800000 3.300000 -0.9000000 2.900000   27.08634 5.507503   11.36384   5.153210 15.72250 7.542424 
1 1 1  -31   11   18 o 29.85183 4.016730  12.22055 1.767123   13.70000 3.000000   10.10000 4.300000   33.40060 3.921992   26.30307   7.011024 7.097525 8.033461 
1 1 1  -31   11   19 o 22.83670 4.043034  7.060000 1.440000   5.500000 2.400000   9.400000 3.600000   20.07862 5.183743   25.59479   6.205910 -5.516178 8.086068 
1 1 1  -30    0    1 f 155.6421 2.133095  277.6000 7.600000   277.6000 7.600000   277.6000 7.600000   155.6421 2.133095   155.6421   2.133095 -0.000000 0.000000 
1 1 1  -30    0    2 o 87.22181 1.502888  87.20000 3.000000   87.20000 3.000000   87.20000 3.000000   87.22181 1.502888   87.22181   1.502888 0.000000 0.000000 
1 1 1  -30    0    3 o 194.0045 2.431674  431.3000 10.80000   431.3000 10.80000   431.3000 10.80000   194.0045 2.431674   194.0045   2.431674 0.000000 0.000000 
1 1 1  -30    0    4 o 154.9467 2.029821  275.1000 7.200000   275.1000 7.200000   275.1000 7.200000   154.9467 2.029821   154.9467   2.029821 -0.000000 0.000000 
1 1 1  -30    0    5 o 153.6454 2.047040  270.5000 7.200000   270.5000 7.200000   270.5000 7.200000   153.6454 2.047040   153.6454   2.047040 -0.000000 0.000000 
1 1 1  -30    0    6 o 323.8276 3.722753  1201.800 27.60000   1201.800 27.60000   1201.800 27.60000   323.8276 3.722753   323.8276   3.722753 -0.000000 0.000000 
1 1 1  -30    0    7 o 464.2173 5.221979  2470.700 55.50000   2470.700 55.50000   2470.700 55.50000   464.2173 5.221979   464.2173   5.221979 -0.000000 0.000000 
1 1 1  -30    0    8 o 193.2939 2.395397  428.1000 10.60000   428.1000 10.60000   428.1000 10.60000   193.2939 2.395397   193.2939   2.395397 -0.000000 0.000000 
1 1 1  -30    0    9 o 38.45712 1.366437  17.00000 1.200000   17.00000 1.200000   17.00000 1.200000   38.45712 1.366437   38.45712   1.366437 0.000000 0.000000 
1 1 1  -30    0   10 o 537.3893 6.128431  3312.200 75.40000   3312.200 75.40000   3312.200 75.40000   537.3893 6.128431   537.3893   6.128431 0.000000 0.000000 
1 1 1  -30    0   11 o 21.20396 2.107049  5.300000 1.000000   5.300000 1.000000   5.300000 1.000000   21.20396 2.107049   21.20396   2.107049 0.000000 0.000000 
1 1 1  -30    0   12 o 166.3417 2.389913  317.1000 9.100000   317.1000 9.100000   317.1000 9.100000   166.3417 2.389913   166.3417   2.389913 -0.000000 0.000000 
1 1 1  -30    0   13 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -30    0   14 o 28.89954 2.618012  9.800000 1.700000   9.800000 1.700000   9.800000 1.700000   28.89954 2.618012   28.89954   2.618012 0.000000 0.000000 
1 1 1  -30    0   15 o 23.38713 3.618653  6.700000 1.800000   6.700000 1.800000   6.700000 1.800000   23.38713 3.618653   23.38713   3.618653 -0.000000 0.000000 
1 1 1  -30    0   16 o 234.7871 2.995370  631.8000 16.10000   631.8000 16.10000   631.8000 16.10000   234.7871 2.995370   234.7871   2.995370 0.000000 0.000000 
1 1 1  -30    0   17 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -30    0   18 o 146.4010 2.238133  245.7000 7.500000   245.7000 7.500000   245.7000 7.500000   146.4010 2.238133   146.4010   2.238133 -0.000000 0.000000 
1 1 1  -30    0   19 o 30.74655 3.691275  11.30000 2.500000   11.30000 2.500000   11.30000 2.500000   30.74655 3.691275   30.74655   3.691275 -0.000000 0.000000 
1 1 1  -30    0   20 o 125.9998 2.254222  182.1000 6.500000   182.1000 6.500000   182.1000 6.500000   125.9998 2.254222   125.9998   2.254222 -0.000000 0.000000 
1 1 1  -30    0   21 o 158.7629 2.642001  289.3000 9.600000   289.3000 9.600000   289.3000 9.600000   158.7629 2.642001   158.7629   2.642001 0.000000 0.000000 
1 1 1  -30    0   22 o 207.5609 3.030857  494.9000 14.40000   494.9000 14.40000   494.9000 14.40000   207.5609 3.030857   207.5609   3.030857 -0.000000 0.000000 
1 1 1  -30    0   23 o 18.17719 6.365201  5.000000 2.400000   5.000000 2.400000   5.000000 2.400000   18.17719 6.365201   18.17719   6.365201 0.000000 0.000000 
1 1 1  -30    0   24 f 7.286877 4.780952 -0.3000000 2.000000 -0.3000000 2.000000 -0.3000000 2.000000   7.286877 4.780952   7.286877   4.780952 0.000000 0.000000 
1 1 1  -30    0   25 o 62.37902 2.317274  44.90000 3.300000   44.90000 3.300000   44.90000 3.300000   62.37902 2.317274   62.37902   2.317274 0.000000 0.000000 
1 1 1  -30    0   26 o 84.34887 2.385639  82.10000 4.600000   82.10000 4.600000   82.10000 4.600000   84.34887 2.385639   84.34887   2.385639 0.000000 0.000000 
1 1 1  -30    0   27 o 72.02954 2.614554  60.10000 4.300000   60.10000 4.300000   60.10000 4.300000   72.02954 2.614554   72.02954   2.614554 0.000000 0.000000 
1 1 1  -30    0   28 o 17.25101 8.304552  5.600000 3.800000   5.600000 3.800000   5.600000 3.800000   17.25101 8.304552   17.25101   8.304552 0.000000 0.000000 
1 1 1  -30    0   29 o 15.48497 7.159266  4.400000 2.800000   4.400000 2.800000   4.400000 2.800000   15.48497 7.159266   15.48497   7.159266 0.000000 0.000000 
1 1 1  -30    0   30 o 16.08495 7.933991  5.100000 3.500000   5.100000 3.500000   5.100000 3.500000   16.08495 7.933991   16.08495   7.933991 -0.000000 0.000000 
1 1 1  -30    2    1 o 92.25516 1.384204  97.17000 1.848750   96.30000 2.900000   98.70000 5.100000   91.69680 1.380968   92.81352   2.399378 -1.116722 2.768409 
1 1 1  -30    2    2 o 368.7830 3.568815  1566.139 19.22260   1580.900 30.60000   1541.200 51.70000   371.3427 3.598207   366.2233   6.164307 5.119415 7.137630 
1 1 1  -30    2    3 o 378.6493 3.757246  1640.648 20.35496   1626.200 31.60000   1666.800 57.20000   376.5975 3.663949   380.7011   6.560721 -4.103607 7.514492 
1 1 1  -30    2    4 o 67.79425 1.397182  54.82105 1.326316   60.20000 2.100000   45.60000 3.600000   72.50192 1.264764   63.08659   2.491754 9.415337 2.794363 
1 1 1  -30    2    5 o 324.3025 3.397297  1206.059 16.72303   1203.800 27.70000   1209.500 42.20000   324.0451 3.732622   324.5598   5.677504 -0.5146790 6.794594 
1 1 1  -30    2    6 o 168.8746 2.341489  326.9500 6.400000   339.0000 12.80000   314.9000 12.80000   171.9903 3.249718   165.7588   3.371887 6.231491 4.682979 
1 1 1  -30    2    7 o 112.1611 1.919270  144.3950 3.474820   129.9000 6.900000   159.1000 7.000000   106.4776 2.829637   117.8446   2.593750 -11.36701 3.838540 
1 1 1  -30    2    8 o 277.1957 3.516362  880.5765 15.72647   899.1000 33.30000   864.0000 29.80000   279.9319 5.194354   274.4594   4.741086 5.472565 7.032724 
1 1 1  -30    2    9 o 422.1360 5.143350  2048.783 35.13798   2038.700 71.60000   2058.500 69.00000   421.0810 7.424839   423.1910   7.119546 -2.110016 10.28670 
1 1 1  -30    2   10 o 238.3914 2.448539  652.0543 8.480548   648.7000 23.10000   654.0000 13.40000   237.8513 4.240784   238.9314   2.448901 -1.080093 4.897078 
1 1 1  -30    2   11 o 63.61529 1.438297  47.68246 1.403509   38.70000 3.200000   54.70000 2.500000   58.12163 2.404097   69.10895   1.579594 -10.98732 2.876595 
1 1 1  -30    2   12 o 184.1927 2.090806  389.3490 5.613278   386.7000 15.20000   390.9000 8.900000   183.6588 3.613862   184.7266   2.103780 -1.067825 4.181613 
1 1 1  -30    2   13 o 326.7811 2.787334  1224.682 14.74983   1219.400 29.40000   1230.000 29.60000   326.0746 3.937042   327.4875   3.946723 -1.412933 5.574668 
1 1 1  -30    2   14 o 168.6686 1.711679  325.9187 4.673797   327.9000 9.500000   324.0000 9.200000   169.1719 2.452083   168.1653   2.388862 1.006546 3.423357 
1 1 1  -30    2   15 o 71.54620 1.293711  58.40000 1.493333   53.50000 2.800000   64.00000 3.200000   68.34354 1.788959   74.74887   1.869326 -6.405334 2.587422 
1 1 1  -30    2   16 o 112.7531 1.342226  145.6633 2.448980   146.3000 4.800000   145.0000 5.000000   113.0060 1.854724   112.5002   1.940690 0.5057907 2.684452 
1 1 1  -30    2   17 o 288.1786 2.646407  952.9931 12.34919   966.3000 24.90000   939.9000 24.50000   290.1736 3.746979   286.1837   3.738185 3.989807 5.292814 
1 1 1  -30    2   18 o 36.32501 2.523473  15.29464 1.255357   15.60000 1.900000   14.70000 3.700000   36.89194 2.248857   35.75808   4.518219 1.133858 5.046945 
1 1 1  -30    2   19 o 146.3187 1.809829  248.5663 3.975904   259.5000 6.600000   232.0000 10.00000   150.4694 1.915293   142.1679   3.071413 8.301544 3.619658 
1 1 1  -30    2   20 o 205.7164 2.443029  490.6495 7.326518   502.2000 11.70000   471.3000 19.60000   209.2001 2.442101   202.2327   4.231987 6.967407 4.886059 
1 1 1  -30    2   21 o 117.4285 1.819702  158.9152 2.996970   160.1000 4.600000   156.7000 8.600000   118.1629 1.699872   116.6940   3.218027 1.468918 3.639404 
1 1 1  -30    2   22 o 204.1738 2.372286  474.8614 6.861386   461.0000 10.50000   501.0000 19.80000   200.3148 2.288843   208.0327   4.155978 -7.717880 4.744571 
1 1 1  -30    2   23 o 57.78638 1.773716  38.23077 1.538462   37.50000 2.500000   39.40000 4.000000   57.13753 1.910549   58.43523   2.988993 -1.297703 3.547432 
1 1 1  -30    2   24 f 76.24857 1.463555  66.73334 1.777778   65.40000 3.200000   68.40000 4.000000   75.42979 1.852451   77.06736   2.266362 -1.637573 2.927110 
1 1 1  -30    2   25 o 62.66991 1.910844  46.67838 1.783784   51.30000 3.000000   39.90000 4.400000   66.75252 1.962426   58.58731   3.279358 8.165207 3.821689 
1 1 1  -30    2   26 o 61.24909 1.731862  42.68235 1.605882   39.70000 2.600000   47.50000 4.200000   58.64864 1.935776   63.84955   2.872309 -5.200912 3.463724 
1 1 1  -30    2   27 o 15.96221 3.640499 0.4655173 1.406897  -4.500000 2.400000   7.500000 3.400000   7.928177 3.887032   23.99623   6.156614 -16.06806 7.280997 
1 1 1  -30    2   28 o 56.01442 2.279802  37.48000 1.898750   38.10000 3.100000   36.50000 4.900000   57.09180 2.370979   54.93704   3.894668 2.154758 4.559603 
1 1 1  -30    2   29 o 27.73446 4.154346  10.59155 1.588732   11.20000 2.400000   9.400000 4.700000   30.46170 3.440305   25.00722   7.562979 5.454473 8.308691 
1 1 1  -30    2   30 o 35.61385 2.377249  15.12182 1.338182   11.40000 2.300000   20.30000 3.200000   30.56200 3.286138   40.66569   3.436066 -10.10369 4.754498 
1 1 1  -30    4    1 o 119.7360 1.538918  165.5603 2.775862   170.2000 4.600000   158.5000 7.000000   121.8885 1.647915   117.5835   2.599510 4.305054 3.077836 
1 1 1  -30    4    2 o 27.14033 3.151656  8.898039 1.215686   9.800000 2.000000   7.500000 3.100000   29.23461 2.987256   25.04604   5.550500 4.188568 6.303312 
1 1 1  -30    4    3 o 130.4698 1.527940  195.0946 3.220155   196.2000 6.200000   193.9000 6.700000   130.8580 2.068859   130.0815   2.249049 0.7765656 3.055880 
1 1 1  -30    4    4 o 160.7656 1.661898  295.3295 4.300578   308.5000 9.300000   284.0000 8.000000   164.0857 2.474867   157.4455   2.218705 6.640259 3.323796 
1 1 1  -30    4    5 o 67.97798 1.227126  52.95000 1.350000   50.80000 2.700000   55.10000 2.700000   66.59693 1.770310   69.35903   1.699811 -2.762100 2.454252 
1 1 1  -30    4    6 o 309.4741 2.734842  1098.534 13.69836   1076.900 27.70000   1119.700 27.10000   306.4499 3.946935   312.4982   3.786705 -6.048309 5.469683 
1 1 1  -30    4    7 o 230.5457 2.042894  609.0908 7.620984   609.5000 15.60000   608.7000 14.90000   230.6172 2.953742   230.4741   2.822954 0.1431274 4.085787 
1 1 1  -30    4    8 o 143.8627 1.512982  236.9936 3.523404   244.5000 7.200000   229.8000 6.900000   146.0923 2.152013   141.6332   2.127275 4.459076 3.025964 
1 1 1  -30    4    9 o 355.7634 3.025295  1451.490 17.40918   1463.800 35.90000   1439.900 33.80000   357.2113 4.388428   354.3154   4.165492 2.895844 6.050589 
1 1 1  -30    4   10 o 112.2803 1.487696  144.0472 2.676852   140.1000 4.900000   148.8000 5.900000   110.5929 1.934677   113.9677   2.260528 -3.374779 2.975393 
1 1 1  -30    4   11 o 240.1519 2.147115  660.9500 8.350000   660.5000 16.70000   661.4000 16.70000   240.0701 3.037513   240.2338   3.035444 -0.1636505 4.294229 
1 1 1  -30    4   12 o 97.96147 1.403559  109.9854 2.224719   113.1000 4.400000   106.8000 4.500000   99.36597 1.933547   96.55696   2.035020 2.809013 2.807117 
1 1 1  -30    4   13 o 66.19533 1.978944  50.20000 3.000000   50.20000 3.000000          ?        ?   66.19533 1.978944          ?          ?       ?       ? 
1 1 1  -30    4   14 o 149.5851 1.862030  256.0112 4.387710   260.0000 10.20000   253.0000 7.700000   150.5850 2.957727   148.5852   2.262846 1.999847 3.724060 
1 1 1  -30    4   15 o 180.8330 1.826969  374.8500 5.350000   374.2000 10.70000   375.5000 10.70000   180.6760 2.585966   180.9900   2.581481 -0.3139191 3.653939 
1 1 1  -30    4   16 o 329.6714 3.020293  1248.426 16.11628   1222.200 31.50000   1275.900 33.00000   326.1422 4.217385   333.2005   4.324620 -7.058350 6.040586 
1 1 1  -30    4   17 o 191.7038 2.061500  420.1345 6.280784   435.5000 14.30000   408.1000 11.20000   194.7765 3.205820   188.6311   2.592653 6.145416 4.123001 
1 1 1  -30    4   18 o 296.6139 3.607451  994.0546 15.90220   927.9000 25.20000   1107.200 43.10000   284.0160 3.874338   309.2119   6.086405 -25.19589 7.214902 
1 1 1  -30    4   19 o 17.40259 3.631488  3.412500 1.191667   1.300000 2.600000   5.200000 2.200000   14.00228 5.515540   20.80291   4.725424 -6.800630 7.262976 
1 1 1  -30    4   20 o 136.4959 1.742030  213.8844 3.844156   209.8000 7.400000   218.3000 8.000000   135.1535 2.390805   137.8383   2.534310 -2.684814 3.484060 
1 1 1  -30    4   21 o 112.1057 1.502750  144.4569 2.724771   138.2000 5.500000   150.6000 5.400000   109.6877 2.189497   114.5236   2.058915 -4.835930 3.005500 
1 1 1  -30    4   22 o 143.2334 1.670789  235.4406 3.855484   225.5000 7.200000   246.9000 8.300000   140.0215 2.245316   146.4453   2.474813 -6.423828 3.341578 
1 1 1  -30    4   23 o 117.4970 1.589898  159.0207 3.024793   155.5000 6.000000   162.6000 6.100000   116.1835 2.255000   118.8105   2.241893 -2.626945 3.179797 
1 1 1  -30    4   24 o 161.2770 1.780370  300.4602 4.647850   294.1000 9.100000   307.1000 9.500000   159.5489 2.490504   163.0051   2.544850 -3.456177 3.560740 
1 1 1  -30    4   25 f 42.96077 2.473143  22.03939 1.575758   23.30000 2.600000   20.10000 4.000000   44.80466 2.533902   41.11689   4.247951 3.687771 4.946286 
1 1 1  -30    4   26 o 23.86106 3.716246  6.610526 1.298246   4.400000 2.000000   10.70000 3.700000   18.74596 4.674631   28.97616   5.778389 -10.23019 7.432493 
1 1 1  -30    4   27 o 16.53000 4.315824  2.565625 1.523438  0.3000000 2.500000   6.100000 3.900000   11.91091 5.110862   21.14908   6.955893 -9.238170 8.631648 
1 1 1  -30    4   28 o 48.40783 2.624011  28.66923 1.794872   29.10000 2.800000   27.90000 5.000000   49.72563 2.458767   47.09002   4.636399 2.635612 5.248022 
1 1 1  -30    4   29 o 25.83631 3.422473  8.742857 1.392857   6.700000 2.600000   11.10000 3.000000   22.16304 5.210317   29.50958   4.439131 -7.346537 6.844946 
1 1 1  -30    6    1 o 101.3698 1.571417  117.9631 2.568932   119.2000 4.900000   116.6000 5.400000   101.9394 2.098910   100.8001   2.339227 1.139259 3.142834 
1 1 1  -30    6    2 o 80.25290 1.481616  73.85974 1.924675   73.10000 3.900000   74.60000 3.800000   79.84341 2.132874   80.66239   2.057085 -0.8189774 2.963233 
1 1 1  -30    6    3 o 58.71241 1.627531  38.86129 1.509677   44.90000 3.600000   34.50000 2.600000   62.56623 2.512478   54.85859   2.069514 7.707634 3.255063 
1 1 1  -30    6    4 o 196.9672 1.920240  444.9000 6.122449   452.4000 12.50000   437.7000 12.00000   198.5896 2.748484   195.3448   2.682372 3.244736 3.840480 
1 1 1  -30    6    5 o 143.1205 1.716260  234.8893 3.971069   236.1000 7.700000   233.6000 8.200000   143.5077 2.342909   142.7334   2.508579 0.7742157 3.432519 
1 1 1  -30    6    6 o 116.8009 1.467160  156.3450 2.774775   155.8000 5.500000   156.9000 5.600000   116.5962 2.059767   117.0056   2.089878 -0.4094162 2.934319 
1 1 1  -30    6    7 o 123.8369 1.486418  175.7882 2.964706   175.1000 6.300000   176.4000 5.600000   123.6016 2.225646   124.0721   1.970850 -0.4705353 2.972835 
1 1 1  -30    6    8 o 188.9809 1.985911  409.6189 6.072428   412.9000 11.90000   406.2000 12.40000   189.7606 2.738297   188.2012   2.876995 1.559433 3.971822 
1 1 1  -30    6    9 o 97.30775 1.364940  108.5116 2.148837   109.0000 4.200000   108.0000 4.400000   97.53369 1.880331   97.08180   1.979040 0.4518890 2.729880 
1 1 1  -30    6   10 f 12.92659 3.628397 0.6285715 1.200000   2.000000 2.100000  -1.200000 2.800000   14.27619 5.090758   11.57698   5.171579 2.699212 7.256793 
1 1 1  -30    6   11 o 168.3561 1.816044  325.0500 4.950000   332.9000 9.900000   317.2000 9.900000   170.3921 2.537029   166.3201   2.599143 4.072021 3.632087 
1 1 1  -30    6   12 o 186.7185 1.902760  400.0217 5.748261   392.9000 11.70000   406.9000 11.30000   185.0762 2.760419   188.3609   2.619555 -3.284683 3.805520 
1 1 1  -30    6   13 o 162.1456 1.856855  301.4062 4.868718   296.2000 9.400000   307.0000 10.10000   160.7015 2.554157   163.5897   2.695909 -2.888153 3.713710 
1 1 1  -30    6   14 o 238.1547 2.282137  651.3182 8.795455   655.0000 18.00000   647.8000 17.20000   238.7986 3.291399   237.5108   3.162167 1.287766 4.564275 
1 1 1  -30    6   15 o 111.0151 1.557479  141.3161 2.799107   136.7000 5.500000   146.1000 5.700000   109.1698 2.199885   112.8604   2.205327 -3.690590 3.114958 
1 1 1  -30    6   16 o 32.01491 4.178074  11.26626 1.746988   9.700000 2.500000   14.90000 5.800000   29.01525 3.762300   35.01457   7.461254 -5.999321 8.356148 
1 1 1  -30    6   17 o 74.41440 1.472956  63.53944 1.774648   62.80000 3.500000   64.30000 3.600000   73.97661 2.065919   74.85218   2.100089 -0.8755722 2.945912 
1 1 1  -30    6   18 o 30.37882 2.901444  10.80714 1.383929   11.70000 2.500000   9.700000 3.100000   31.84900 3.427551   28.90864   4.682456 2.940365 5.802887 
1 1 1  -30    6   19 o 50.55685 1.741943  29.41228 1.424561   30.10000 2.800000   28.70000 2.900000   51.16531 2.389583   49.94838   2.535224 1.216927 3.483887 
1 1 1  -30    6   20 o 74.33798 1.519797  63.63013 1.821918   61.60000 3.800000   65.50000 3.500000   73.18018 2.267409   75.49577   2.024348 -2.315590 3.039593 
1 1 1  -30    6   21 o 16.38808 3.444372  2.995455 1.097727  0.8000000 2.300000   5.000000 2.100000   12.53150 5.100707   20.24467   4.630074 -7.713167 6.888744 
1 1 1  -30    6   22 o 27.45828 2.650255  9.163636 1.090909   10.80000 2.000000   7.200000 2.400000   30.53502 2.860036   24.38154   4.462690 6.153477 5.300511 
1 1 1  -30    6   23 o 57.68371 1.939341  38.82778 1.794444   41.00000 3.400000   36.40000 3.800000   59.47192 2.496357   55.89550   2.968565 3.576427 3.878682 
1 1 1  -30    6   24 o 126.2891 1.712660  185.0971 3.497143   183.4000 7.200000   186.7000 6.800000   125.6708 2.501714   126.9074   2.339709 -1.236542 3.425319 
1 1 1  -30    6   25 o 34.63652 2.629272  14.55862 1.434483   15.50000 2.600000   13.40000 3.200000   36.13752 3.141627   33.13551   4.216927 3.002014 5.258544 
1 1 1  -30    6   26 o 26.56441 4.423394  9.818666 1.858667   10.00000 3.400000   9.600000 4.100000   27.28949 5.627241   25.83934   6.826406 1.450142 8.846787 
1 1 1  -30    6   27 o 86.18798 1.847867  87.81942 2.568932   87.40000 5.400000   88.20000 4.900000   85.85092 2.746557   86.52504   2.472828 -0.6741180 3.695735 
1 1 1  -30    8    1 o 58.74610 1.813216  39.73913 1.724638   40.50000 3.500000   39.00000 3.400000   59.29864 2.577289   58.19357   2.551195 1.105072 3.626433 
1 1 1  -30    8    2 o 112.9671 1.438902  146.4543 2.605714   144.9000 4.800000   148.3000 5.700000   112.3407 1.865708   113.5935   2.191094 -1.252762 2.877805 
1 1 1  -30    8    3 o 117.6282 1.778527  159.1652 3.352592   159.9000 6.200000   158.3000 7.300000   117.9650 2.294976   117.2914   2.717669 0.6736298 3.557055 
1 1 1  -30    8    4 o 51.31212 1.774369  30.20339 1.471186   32.20000 3.100000   28.40000 2.800000   52.91849 2.557961   49.70576   2.459750 3.212730 3.548738 
1 1 1  -30    8    5 o 63.25645 1.806277  46.00000 1.850000   45.10000 3.700000   46.90000 3.700000   62.63519 2.579426   63.87772   2.529252 -1.242535 3.612555 
1 1 1  -30    8    6 f 21.85130 3.572644  5.900000 1.333333   8.700000 2.400000   2.400000 3.000000   27.45298 3.817346   16.24961   6.040117 11.20337 7.145288 
1 1 1  -30    8    7 o 46.57517 2.030599  24.97049 1.514754   25.20000 2.800000   24.70000 3.300000   46.82634 2.611004   46.32400   3.110625 0.5023460 4.061198 
1 1 1  -30    8    8 o 54.01888 1.873326  33.43077 1.615385   25.40000 3.000000   42.80000 3.500000   47.00149 2.787080   61.03628   2.503916 -14.03479 3.746653 
1 1 1  -30    8    9 f 71.80397 1.529752  59.01268 1.757746   61.10000 3.900000   57.30000 3.200000   72.94185 2.334681   70.66608   1.977328 2.275764 3.059503 
1 1 1  -30    8   10 o 20.97723 4.117267  5.258621 1.443103   4.700000 2.700000   5.900000 3.100000   19.84053 5.662899   22.11393   5.978220 -2.273397 8.234533 
1 1 1  -30    8   11 o 20.44159 4.745919  4.552632 1.894737   6.400000 3.600000   2.500000 4.000000   23.05017 6.525080   17.83301   6.893353 5.217157 9.491838 
1 1 1  -30    8   12 o 72.71019 1.805000  60.77412 2.124706   63.00000 4.300000   58.60000 4.200000   74.02795 2.536369   71.39243   2.568838 2.635521 3.610000 
1 1 1  -30    8   13 o 72.37772 1.770081  60.16867 2.072289   58.00000 4.000000   62.50000 4.300000   71.03094 2.458964   73.72449   2.546809 -2.693550 3.540161 
1 1 1  -30    8   14 o 21.24198 3.475434  5.485106 1.170213   4.900000 2.500000   6.000000 2.200000   20.12972 5.336523   22.35424   4.453773 -2.224516 6.950868 
1 1 1  -30    8   15 o 60.36852 1.713415  41.89403 1.671642   43.20000 3.500000   40.70000 3.200000   61.25904 2.494810   59.47799   2.349273 1.781055 3.426830 
1 1 1  -30    8   16 o 76.02788 1.563752  66.46753 1.924675   64.00000 3.800000   69.00000 3.900000   74.59635 2.224363   77.45941   2.198519 -2.863060 3.127503 
1 1 1  -30    8   17 o 155.1553 1.695920  277.1988 4.221177   274.4000 7.800000   280.5000 9.200000   154.3793 2.206201   155.9313   2.576287 -1.551971 3.391840 
1 1 1  -30    8   18 o 56.26595 1.863985  36.94328 1.674627   30.60000 3.400000   43.10000 3.300000   51.40798 2.887940   61.12392   2.357450 -9.715946 3.727971 
1 1 1  -30    8   19 o 21.01759 4.111271  5.368966 1.406897   4.500000 2.400000   6.600000 3.400000   19.10882 5.299188   22.92636   6.287195 -3.817549 8.222543 
1 1 1  -30    8   20 o 41.98796 2.171765  20.57288 1.474576   19.00000 2.900000   22.20000 3.000000   40.33747 3.139273   43.63845   3.001869 -3.300976 4.343530 
1 1 1  -30    8   21 o 106.9041 1.631868  132.4460 2.824779   132.0000 5.600000   132.9000 5.700000   106.7318 2.291046   107.0765   2.324451 -0.3446884 3.263735 
1 1 1  -30    8   22 o 56.53554 1.844803  37.54926 1.665672   39.40000 3.100000   35.40000 3.600000   58.16854 2.327090   54.90254   2.863187 3.265995 3.689606 
1 1 1  -30    8   23 o 19.39481 4.406961  4.660000 1.578462   2.500000 2.700000   7.700000 3.800000   15.18509 5.713203   23.60453   6.711522 -8.419436 8.813922 
1 1 1  -30    8   24 f 23.07071 4.427344  7.460294 1.698529   7.800000 3.300000   7.100000 3.500000   23.73986 6.051683   22.40155   6.463949 1.338308 8.854688 
1 1 1  -30    8   25 o 14.26605 3.956915 0.8692307 1.593846   4.100000 2.800000  -3.400000 3.700000   17.45787 5.897438   11.07422   5.277209 6.383648 7.913830 
1 1 1  -30   10    1 o 45.16598 1.977097  23.93509 1.403509   24.90000 2.500000   22.70000 3.200000   46.32899 2.356280   44.00296   3.175468 2.326027 3.954194 
1 1 1  -30   10    2 o 13.22321 4.005303 -0.1253969 1.574603   1.500000 3.200000  -1.700000 3.100000   14.92233 6.037265   11.52408   5.265096 3.398252 8.010606 
1 1 1  -30   10    3 o 36.28606 2.386016  15.37857 1.392857   15.10000 2.600000   15.70000 3.000000   35.98014 3.155370   36.59197   3.579935 -0.6118355 4.772032 
1 1 1  -30   10    4 o 57.87379 2.107834  38.92911 1.974684   37.30000 3.900000   40.60000 4.000000   56.63995 3.006640   59.10764   2.954990 -2.467690 4.215668 
1 1 1  -30   10    5 o 13.64426 4.140643 -0.1136363 1.625758  -1.300000 2.900000   1.400000 3.700000   11.51196 5.192826   15.77657   6.450911 -4.264607 8.281286 
1 1 1  -30   10    6 o 63.17189 1.958338  46.24000 1.998750   47.80000 3.900000   44.60000 4.100000   64.29475 2.648675   62.04903   2.885284 2.245720 3.916675 
1 1 1  -30   10    7 o 16.27994 4.185918  2.561017 1.471186   1.300000 3.100000   3.700000 2.800000   14.70423 5.944580   17.85564   5.894879 -3.151418 8.371836 
1 1 1  -30   10    8 o 59.59370 1.900295  41.20274 1.821918   38.60000 3.800000   43.60000 3.500000   57.73817 2.873825   61.44923   2.487089 -3.711063 3.800590 
1 1 1  -30   10    9 o 42.30760 2.094548  20.61579 1.389474   21.60000 3.300000   19.90000 2.400000   43.10641 3.342811   41.50880   2.524706 1.597610 4.189096 
1 1 1  -30   10   10 o 37.81893 2.287316  16.59464 1.398214   18.20000 2.900000   15.10000 2.700000   39.58907 3.198618   36.04879   3.270489 3.540279 4.574632 
1 1 1  -30   10   11 o 21.94859 4.013670  5.967797 1.474576   7.900000 3.000000   4.100000 2.900000   25.31111 5.343225   18.58608   5.990671 6.725035 8.027340 
1 1 1  -30   10   12 o 9.932575 3.329525 -3.145614 1.414035  -3.100000 2.600000  -3.200000 3.100000   9.360617 4.450204   10.50453   4.953649 -1.143918 6.659050 
1 1 1  -30   10   13 o 80.12555 1.652032  74.44588 2.101177   76.10000 3.800000   72.40000 4.700000   81.21613 2.043059   79.03497   2.596679 2.181160 3.304063 
1 1 1  -30   10   14 o 37.09270 2.828090  16.12500 1.686765   13.80000 3.100000   18.90000 3.700000   34.19373 3.958722   39.99166   4.039913 -5.797932 5.656180 
1 1 1  -30   10   15 o 26.19687 3.358897  8.214286 1.371429   5.900000 2.400000   11.30000 3.200000   21.70349 4.939609   30.69025   4.552913 -8.986761 6.717793 
1 1 1  -30   10   16 f 27.94234 3.693127  9.920968 1.446774   10.70000 2.300000   8.600000 3.900000   30.19206 3.326402   25.69261   6.594831 4.499456 7.386254 
1 1 1  -30   10   17 o 10.29567 3.385118 -2.932143 1.392857  -5.300000 2.600000 -0.2000000 3.000000   8.028877 3.957818   12.56246   5.492884 -4.533583 6.770236 
1 1 1  -30   10   18 o 17.07167 4.363503  3.503226 1.548387   3.400000 3.200000   3.600000 3.000000   16.99093 6.252748   17.15241   6.088002 -0.1614799 8.727005 
1 1 1  -30   10   19 o 15.38083 4.289820  1.887879 1.648485 -0.1000000 3.200000   4.000000 3.400000   12.81044 5.635287   17.95122   6.469448 -5.140778 8.579639 
1 1 1  -30   10   20 o 14.52430 4.181124  1.447059 1.605882   2.900000 2.600000 -0.9000000 4.200000   15.49124 5.645911   13.55735   6.168538 1.933898 8.362247 
1 1 1  -30   10   21 o 18.22437 4.082424  3.782540 1.565079   8.100000 3.400000  0.1000000 2.900000   24.15316 6.134903   12.29558   5.387737 11.85758 8.164848 
1 1 1  -30   10   22 o 17.31890 3.904707  3.752632 1.424561  0.7000000 2.900000   6.700000 2.800000   12.70438 5.478551   21.93342   5.565288 -9.229033 7.809414 
1 1 1  -30   12    1 o 22.25214 4.384326  7.023881 1.674627   8.800000 3.400000   5.300000 3.300000   25.11444 5.994621   19.38984   6.399514 5.724596 8.768653 
1 1 1  -30   12    2 o 31.78291 3.486013  12.65278 1.765278   15.50000 4.100000   10.50000 3.100000   34.71796 5.156670   28.84785   4.692323 5.870106 6.972025 
1 1 1  -30   12    3 o 28.58171 3.813743  10.71304 1.707246   6.400000 3.100000   16.00000 3.800000   21.50898 6.043220   35.65445   4.653820 -14.14546 7.627486 
1 1 1  -30   12    4 o 17.31897 4.593499  3.348000 1.872000   5.700000 3.600000  0.8000000 3.900000   20.14672 6.685748   14.49122   6.300930 5.655505 9.186998 
1 1 1  -30   12    5 o 17.25850 4.304078  3.665625 1.593750   5.400000 3.000000   1.700000 3.400000   19.78906 6.054747   14.72794   6.118854 5.061124 8.608155 
1 1 1  -30   12    6 o 14.43748 4.384220  1.032432 1.828378   1.300000 3.300000  0.7000000 4.100000   14.18832 5.970690   14.68664   6.421558 -0.4983225 8.768440 
1 1 1  -30   12    7 o 14.66005 4.139303  1.995000 1.485000   2.400000 2.700000   1.500000 3.300000   14.86929 5.684987   14.45080   6.017992 0.4184828 8.278605 
1 1 1  -30   12    8 o 31.89107 3.742309  12.90000 1.800000   11.50000 3.000000   15.00000 4.500000   30.49842 4.295202   33.28371   6.129499 -2.785288 7.484619 
1 1 1  -30   12    9 o 14.21940 4.017186  1.087097 1.548387   3.700000 3.000000  -1.700000 3.200000   17.08589 6.085477   11.35291   5.245771 5.732978 8.034372 
1 1 1  -30   12   10 o 32.87318 3.522908  13.75067 1.874667   13.70000 3.800000   13.80000 3.700000   32.75805 5.065301   32.98832   4.897576 -0.2302742 7.045816 
1 1 1  -30   12   11 o 15.04976 4.251650  2.222222 1.555556   2.400000 2.800000   2.000000 3.500000   14.91503 5.766839   15.18450   6.248976 -0.2694721 8.503301 
1 1 1  -30   12   12 o 23.58447 4.482179  7.764286 1.727143   7.100000 3.100000   8.600000 3.900000   22.71031 5.905226   24.45864   6.744480 -1.748323 8.964357 
1 1 1  -30   12   13 o 13.68533 4.063594     -0.04 1.727143   3.100000 3.100000  -4.000000 3.900000   16.18682 6.114741   11.18384   5.353609 5.002980 8.127188 
1 1 1  -30   12   14 o 55.12850 2.533822  37.18315 2.211236   40.50000 4.100000   33.30000 4.800000   58.22635 3.074708   52.03065   4.028299 6.195702 5.067645 
1 1 1  -30   12   15 o 19.25202 3.139305  3.155385 1.578462  -6.900000 3.800000   10.30000 2.700000   9.659448 4.765996   28.84459   4.087325 -19.18514 6.278610 
1 1 1  -30   12   16 o 11.25559 3.741160 -2.488571 1.748571  -1.100000 3.600000  -3.800000 3.400000   12.27965 5.633837   10.23153   4.923922 2.048117 7.482320 
1 1 1  -30   12   17 o 13.85802 4.232371 -0.3114286 1.544286  -3.400000 2.300000   6.000000 4.700000   8.046267 3.914332   19.66978   7.505322 -11.62351 8.464743 
1 1 1  -29    1    1 o 279.8002 3.053684  899.1859 13.15864   903.9000 22.30000   892.4000 32.10000   280.7895 3.467877   278.8109   5.027302 1.978546 6.107368 
1 1 1  -29    1    2 o 62.62321 1.377920  45.70370 1.303704   48.80000 2.200000   41.20000 3.200000   65.27629 1.471658   59.97012   2.329994 5.306171 2.755839 
1 1 1  -29    1    3 o 328.1982 3.237409  1230.561 15.17044   1218.900 23.50000   1251.800 42.80000   326.1457 3.146270   330.2508   5.658998 -4.105164 6.474819 
1 1 1  -29    1    4 o 219.2741 2.182391  550.4266 7.057807   549.0000 11.30000   552.8000 18.80000   218.9274 2.253814   219.6209   3.737867 -0.6935272 4.364783 
1 1 1  -29    1    5 f 101.1586 1.348849  115.8965 1.982558   112.4000 3.100000   122.1000 5.500000   99.07059 1.366333   103.2465   2.326093 -4.175919 2.697698 
1 1 1  -29    1    6 o 215.7101 2.740511  532.3590 9.551436   556.5000 20.10000   510.5000 18.20000   220.3571 3.982986   211.0632   3.765291 9.293854 5.481021 
1 1 1  -29    1    7 o 300.3841 3.726016  1034.627 18.12221   1016.900 35.80000   1052.800 36.70000   297.7804 5.249604   302.9877   5.289087 -5.207306 7.452033 
1 1 1  -29    1    8 o 28.71571 1.563914  9.465517 0.7241379   9.900000 1.400000   9.000000 1.500000   29.40026 2.079298   28.03117   2.336629 1.369083 3.127829 
1 1 1  -29    1    9 o 589.0983 6.611831  3992.730 63.07277   4021.500 126.9000   3964.300 125.4000   591.2014 9.372725   586.9952   9.328304 4.206177 13.22366 
1 1 1  -29    1   10 o 446.3886 4.267512  2276.000 27.26395   2322.600 76.70000   2250.300 42.30000   449.6827 7.447814   443.0944   4.168538 6.588318 8.535025 
1 1 1  -29    1   11 o 166.3576 1.870757  312.2845 4.322165   332.1000 12.90000   302.3000 6.500000   170.2480 3.308623   162.4672   1.746978 7.780853 3.741513 
1 1 1  -29    1   12 f 179.8793 1.972803  369.9813 5.358222   374.0000 13.70000   367.4000 8.800000   180.6613 3.311274   179.0973   2.145524 1.563980 3.945606 
1 1 1  -29    1   13 o 208.3903 2.265355  498.7625 6.937500   493.2000 18.50000   502.1000 11.10000   207.4207 3.894569   209.3599   2.315097 -1.939285 4.530711 
1 1 1  -29    1   14 o 402.6539 3.412358  1860.158 22.24899   1866.500 44.80000   1853.900 44.20000   403.3317 4.850152   401.9762   4.801332 1.355560 6.824717 
1 1 1  -29    1   15 o 245.8937 2.297893  693.0486 9.148908   697.8000 18.50000   688.4000 18.10000   246.7254 3.274143   245.0619   3.225094 1.663467 4.595785 
1 1 1  -29    1   16 o 392.5923 3.381838  1768.624 21.49988   1779.900 43.10000   1757.400 42.90000   393.8416 4.778542   391.3430   4.786736 2.498627 6.763675 
1 1 1  -29    1   17 o 163.4447 1.823292  306.0943 4.821762   308.3000 9.900000   304.0000 9.400000   164.0156 2.635662   162.8738   2.520091 1.141815 3.646584 
1 1 1  -29    1   18 o 353.0276 3.142568  1431.629 17.92270   1434.800 34.50000   1428.200 37.30000   353.4784 4.261828   352.5768   4.619497 0.9015198 6.285136 
1 1 1  -29    1   19 o 232.2261 2.260165  618.6056 8.497353   632.7000 17.30000   605.0000 16.70000   234.8220 3.216969   229.6302   3.175610 5.191833 4.520331 
1 1 1  -29    1   20 o 88.52847 1.483685  89.87647 2.122353   90.60000 4.100000   89.10000 4.400000   88.90210 2.013778   88.15485   2.179446 0.7472534 2.967371 
1 1 1  -29    1   21 o 143.1583 1.854850  235.1930 4.297674   224.4000 8.400000   246.5000 8.800000   139.7971 2.623741   146.5196   2.622568 -6.722504 3.709700 
1 1 1  -29    1   22 o 115.3401 1.553188  152.7500 2.900000   157.4000 5.800000   148.1000 5.800000   117.1005 2.162763   113.5797   2.229805 3.520790 3.106376 
1 1 1  -29    1   23 o 177.5072 2.016423  362.8281 5.735931   361.8000 12.50000   363.7000 10.60000   177.1951 3.080336   177.8194   2.602954 -0.6243286 4.032845 
1 1 1  -29    1   24 o 100.7056 1.460007  116.7832 2.374737   108.8000 4.800000   124.6000 4.700000   97.27621 2.154638   104.1350   1.970792 -6.858810 2.920014 
1 1 1  -29    1   25 o 36.87264 2.309406  15.69818 1.352727   16.60000 3.100000   15.00000 2.400000   37.75391 3.585415   35.99138   2.911739 1.762531 4.618813 
1 1 1  -29    1   26 o 96.22284 2.359744  0.000000 0.000000          ?        ?   107.1000 5.200000          ?        ?   96.22284   2.359744       ?       ? 
1 1 1  -29    1   27 o 32.72819 2.593321  12.60909 1.370909   11.90000 2.600000   13.40000 2.900000   31.78190 3.572179   33.67448   3.760424 -1.892574 5.186642 
1 1 1  -29    1   28 o 40.18625 2.152337  19.03929 1.392857   22.20000 3.000000   16.30000 2.600000   43.29166 3.025915   37.08083   3.061707 6.210827 4.304673 
1 1 1  -29    1   29 o 42.30104 2.938312  22.16375 1.998750   18.80000 3.900000   25.70000 4.100000   38.82341 4.386425   45.77867   3.910753 -6.955265 5.876624 
1 1 1  -29    1   30 o 32.91959 3.070359  13.53077 1.578462   12.70000 2.700000   14.70000 3.800000   32.15364 3.666682   33.68552   4.925837 -1.531879 6.140718 
1 1 1  -29    3    1 o 85.39639 1.395331  84.95206 1.673972   88.30000 2.600000   78.90000 4.700000   87.80753 1.292949   82.98526   2.473071 4.822266 2.790662 
1 1 1  -29    3    2 o 325.1972 3.163323  1205.675 14.92384   1185.100 23.40000   1241.900 41.20000   321.5492 3.177665   328.8453   5.470730 -7.296112 6.326646 
1 1 1  -29    3    3 o 146.3945 1.723117  245.6503 3.602548   245.9000 5.600000   245.2000 10.10000   146.5221 1.668878   146.2670   3.015191 0.2551422 3.446234 
1 1 1  -29    3    4 o 181.8253 1.952902  376.9329 5.088739   372.2000 7.900000   385.5000 14.30000   180.2613 1.913658   183.3892   3.404881 -3.127930 3.905804 
1 1 1  -29    3    5 o 71.95090 1.282204  58.93333 1.266667   58.20000 1.900000   60.40000 3.800000   71.28905 1.163779   72.61273   2.285128 -1.323677 2.564409 
1 1 1  -29    3    6 o 376.6755 3.122679  1625.773 19.03412   1555.900 37.00000   1699.800 39.20000   368.3507 4.386114   385.0002   4.445952 -16.64951 6.245358 
1 1 1  -29    3    7 o 76.15219 0.9750002  66.50000 1.200000   71.30000 2.400000   61.70000 2.400000   78.90451 1.328156   73.39987   1.427761 5.504639 1.950000 
1 1 1  -29    3    8 o 241.9750 2.143456  670.4503 8.392559   650.9000 16.30000   691.2000 17.30000   238.3436 2.986234   245.6065   3.075714 -7.262863 4.286911 
1 1 1  -29    3    9 o 81.45205 1.081556  75.99474 1.424561   82.10000 2.900000   70.10000 2.800000   84.66835 1.495604   78.23575   1.562761 6.432602 2.163112 
1 1 1  -29    3   10 o 179.2193 1.697144  367.9431 4.923858   367.5000 9.700000   368.4000 10.00000   179.1108 2.364774   179.3277   2.434962 -0.2168884 3.394289 
1 1 1  -29    3   11 o 463.1862 3.819519  2461.947 28.64293   2504.200 58.20000   2421.000 56.40000   467.0908 5.440783   459.2816   5.362161 7.809204 7.639037 
1 1 1  -29    3   12 o 277.9393 2.466190  885.5209 11.09977   892.0000 22.30000   879.1000 22.10000   278.9513 3.490730   276.9274   3.484706 2.023926 4.932379 
1 1 1  -29    3   13 o 118.0563 1.294597  159.6323 2.474747   157.9000 4.900000   161.4000 5.000000   117.4094 1.822355   118.7031   1.839278 -1.293747 2.589193 
1 1 1  -29    3   14 o 184.9337 1.838592  391.5055 5.477727   398.1000 11.70000   385.7000 10.30000   186.3899 2.740963   183.4775   2.451287 2.912369 3.677184 
1 1 1  -29    3   15 o 288.9191 2.506263  956.6452 11.71599   944.2000 22.80000   969.8000 24.10000   286.9940 3.468979   290.8442   3.618232 -3.850220 5.012526 
1 1 1  -29    3   16 o 274.8219 2.901673  862.8105 12.45547   840.7000 21.40000   893.6000 29.80000   270.7272 3.451609   278.9167   4.665320 -8.189514 5.803346 
1 1 1  -29    3   17 o 150.3010 1.704958  258.8090 4.147591   264.8000 8.500000   253.1000 8.100000   151.9972 2.441873   148.6049   2.380081 3.392303 3.409916 
1 1 1  -29    3   18 o 106.5461 2.049142  130.1000 5.000000   130.1000 5.000000          ?        ?   106.5461 2.049142          ?          ?       ?       ? 
1 1 1  -29    3   19 o 61.11969 1.516332  42.43333 1.473333   39.40000 2.600000   46.40000 3.400000   58.62925 1.936416   63.61013   2.333954 -4.980877 3.032664 
1 1 1  -29    3   20 o 158.1658 1.551082  285.6862 3.948428   267.0000 7.300000   307.7000 8.600000   152.5718 2.089240   163.7599   2.293140 -11.18806 3.102163 
1 1 1  -29    3   21 o 207.5084 2.002174  495.1550 6.722676   489.4000 13.70000   500.7000 13.20000   206.3041 2.899696   208.7128   2.761624 -2.408661 4.004348 
1 1 1  -29    3   22 o 96.71896 1.657187  106.0940 2.244000   103.0000 3.400000   112.1000 6.600000   94.76715 1.566610   98.67078   2.920754 -3.903633 3.314373 
1 1 1  -29    3   23 f 57.92596 2.009295  37.64054 1.686486   34.90000 2.600000   42.70000 4.800000   55.10431 2.060286   60.74761   3.450259 -5.643299 4.018590 
1 1 1  -29    3   24 o 82.65702 1.569438  77.77073 1.902439   75.10000 3.000000   82.40000 5.200000   80.85571 1.620132   84.45834   2.688441 -3.602631 3.138876 
1 1 1  -29    3   25 o 62.67288 1.939603  44.77273 1.781818   42.70000 2.800000   48.40000 4.900000   60.87687 2.008378   64.46889   3.318834 -3.592022 3.879206 
1 1 1  -29    3   26 o 22.49694 4.121251  6.496774 1.470968   7.000000 2.400000   5.700000 3.800000   23.80338 4.568767   21.19050   6.860407 2.612875 8.242501 
1 1 1  -29    3   27 o 35.43700 2.988511  13.60000 1.544286   9.000000 2.300000   23.00000 4.700000   27.49000 3.653363   43.38400   4.730510 -15.89400 5.977021 
1 1 1  -29    3   28 o 16.37436 3.777755  1.304225 1.673239   6.400000 2.700000  -7.000000 4.400000   21.96887 5.403847   10.77984   5.280547 11.18903 7.555511 
1 1 1  -29    3   29 o 43.37385 2.913161  22.85696 1.807595   21.90000 2.800000   24.60000 5.100000   42.93657 2.847544   43.81113   5.083062 -0.8745651 5.826322 
1 1 1  -29    5    1 o 67.06295 1.518917  51.35455 1.643939   46.00000 3.100000   57.40000 3.500000   63.35505 2.136585   70.77084   2.159501 -7.415791 3.037834 
1 1 1  -29    5    2 o 216.2086 2.036839  535.7158 7.105263   530.6000 13.50000   541.4000 15.00000   215.1331 2.740099   217.2840   3.014416 -2.150955 4.073677 
1 1 1  -29    5    3 o 178.9767 2.360598  366.1108 6.443866   360.9000 10.70000   374.0000 16.20000   177.4388 2.633145   180.5146   3.918703 -3.075806 4.721196 
1 1 1  -29    5    4 o 229.6837 2.201236  605.5544 8.173089   631.6000 16.10000   578.7000 16.60000   234.7167 2.995171   224.6506   3.226563 10.06604 4.402472 
1 1 1  -29    5    5 o 238.4112 2.176599  651.5667 8.395238   654.3000 16.40000   648.7000 17.20000   238.9296 2.997185   237.8927   3.157090 1.036880 4.353198 
1 1 1  -29    5    6 o 112.4624 1.362489  145.1515 2.474747   135.0000 5.000000   155.1000 4.900000   108.5599 2.011130   116.3649   1.838712 -7.804985 2.724979 
1 1 1  -29    5    7 o 324.1395 2.810426  1204.934 14.74932   1192.500 29.70000   1217.200 29.30000   322.4727 4.021641   325.8064   3.926881 -3.333740 5.620853 
1 1 1  -29    5    8 o 264.9510 2.406438  804.0736 10.31138   784.8000 19.90000   824.8000 21.40000   261.6651 3.320833   268.2370   3.483653 -6.571899 4.812875 
1 1 1  -29    5    9 o 240.9793 2.307321  665.6334 8.993055   664.4000 18.50000   666.8000 17.50000   240.7553 3.355333   241.2032   3.168069 -0.4479370 4.614642 
1 1 1  -29    5   10 o 222.4742 2.109535  567.0970 7.597039   575.0000 15.50000   559.5000 14.90000   223.9916 3.021619   220.9567   2.944549 3.034851 4.219070 
1 1 1  -29    5   11 o 444.3544 5.293410  2271.646 37.95640   2216.600 71.90000   2333.200 80.40000   438.7741 7.155295   449.9347   7.802725 -11.16052 10.58682 
1 1 1  -29    5   12 o 220.6565 2.113752  556.1868 7.494040   586.0000 16.40000   531.1000 13.80000   226.0652 3.167743   215.2478   2.799498 10.81740 4.227503 
1 1 1  -29    5   13 o 247.4376 2.346227  702.2460 9.397607   702.0000 18.50000   702.5000 19.10000   247.4001 3.265213   247.4751   3.370091 -0.7495117E-01 4.692455 
1 1 1  -29    5   14 o 178.3102 1.914001  364.5158 5.522172   363.8000 11.30000   365.2000 10.80000   178.1339 2.769947   178.4864   2.642156 -0.3524170 3.828001 
1 1 1  -29    5   15 o 194.7837 1.968044  434.7000 6.174193   441.3000 13.20000   428.9000 11.60000   196.1553 2.938417   193.4120   2.618872 2.743317 3.936087 
1 1 1  -29    5   16 o 106.4103 1.538114  129.7981 2.649057   129.7000 5.200000   129.9000 5.400000   106.3714 2.134608   106.4491   2.215091 -0.7765198E-01 3.076228 
1 1 1  -29    5   17 o 92.05374 2.040222  96.23389 2.705085   93.60000 4.200000   101.0000 7.600000   90.35808 2.029654   93.74940   3.539850 -3.391319 4.080445 
1 1 1  -29    5   18 o 151.9471 2.442678  265.0000 8.500000   265.0000 8.500000          ?        ?   151.9471 2.442678          ?          ?       ?       ? 
1 1 1  -29    5   19 o 11.58860 3.471844 -1.435294 1.270588  -4.400000 2.400000   1.900000 2.700000   8.126247 3.963209   15.05095   5.701559 -6.924698 6.943687 
1 1 1  -29    5   20 o 151.2048 1.612894  262.3646 3.944304   272.9000 8.200000   252.6000 7.600000   154.1171 2.323286   148.2924   2.237868 5.824753 3.225788 
1 1 1  -29    5   21 o 40.26958 2.344651  18.76885 1.524590   19.90000 3.000000   17.60000 3.100000   41.52237 3.154851   39.01680   3.469363 2.505562 4.689303 
1 1 1  -29    5   22 o 84.42561 1.609764  82.05000 2.200000   84.60000 4.400000   79.50000 4.400000   85.74449 2.240713   83.10673   2.311832 2.637764 3.219528 
1 1 1  -29    5   23 o 65.49071 1.693802  48.93333 1.777778   57.60000 4.000000   42.00000 3.200000   70.63501 2.472747   60.34641   2.315465 10.28860 3.387604 
1 1 1  -29    5   24 o 50.57077 1.953714  29.67813 1.598437   29.00000 3.100000   30.40000 3.300000   49.98857 2.707888   51.15297   2.816974 -1.164394 3.907429 
1 1 1  -29    5   25 o 47.19466 2.237982  26.42686 1.656716   28.80000 3.000000   23.50000 3.700000   49.75560 2.632807   44.63372   3.619748 5.121872 4.475963 
1 1 1  -29    5   26 o 15.00379 4.060976  1.642623 1.524590   4.200000 3.000000  -1.000000 3.100000   18.14876 6.104557   11.85883   5.357284 6.289936 8.121952 
1 1 1  -29    5   27 o 16.71180 4.117130  3.127273 1.498485   4.800000 2.300000   0.000000 4.300000   19.02126 5.152408   14.40235   6.423064 4.618909 8.234261 
1 1 1  -29    5   28 o 21.79826 4.297866  6.500000 1.500000   6.200000 2.400000   7.000000 4.000000   21.68914 4.941994   21.90737   7.033016 -0.2182274 8.595733 
1 1 1  -29    7    1 o 81.34245 1.594644  76.62891 2.067470   84.10000 3.900000   68.20000 4.400000   85.62144 1.988940   77.06345   2.493124 8.557999 3.189287 
1 1 1  -29    7    2 o 91.53529 1.383005  96.06342 2.048780   97.60000 4.200000   94.60000 4.000000   92.24729 1.988087   90.82328   1.923103 1.424011 2.766011 
1 1 1  -29    7    3 o 67.03134 1.682151  51.53151 1.821918   51.10000 3.500000   52.00000 3.800000   66.74349 2.289807   67.31919   2.464815 -0.5756989 3.364302 
1 1 1  -29    7    4 o 104.2140 1.601932  124.5139 2.691667   123.9000 5.100000   125.2000 5.700000   103.9504 2.142317   104.4776   2.382272 -0.5271835 3.203863 
1 1 1  -29    7    5 o 224.0174 2.261045  576.1326 8.192378   572.4000 15.90000   580.1000 16.90000   223.2860 3.109390   224.7487   3.283440 -1.462708 4.522089 
1 1 1  -29    7    6 o 151.3700 1.714386  262.8738 4.199405   256.6000 8.500000   269.0000 8.300000   149.5788 2.481354   153.1612   2.366296 -3.582458 3.428771 
1 1 1  -29    7    7 o 28.67345 2.638564  9.428572 1.220408   9.100000 2.300000   9.800000 2.600000   28.14649 3.568152   29.20042   3.887979 -1.053936 5.277129 
1 1 1  -29    7    8 o 73.23721 1.551302  61.81370 1.816438   65.40000 3.400000   57.70000 3.900000   75.53848 1.965397   70.93593   2.400701 4.602554 3.102604 
1 1 1  -29    7    9 o 68.47284 1.465456  53.73231 1.624615   52.60000 3.200000   54.90000 3.300000   67.74060 2.062722   69.20509   2.082167 -1.464485 2.930912 
1 1 1  -29    7   10 o 82.42995 1.292798  77.68261 1.715942   74.90000 3.200000   80.90000 3.700000   80.84592 1.728350   84.01398   1.923047 -3.168060 2.585595 
1 1 1  -29    7   11 o 15.69837 3.921929  2.464000 1.248000   2.800000 2.400000   2.100000 2.600000   16.15261 5.459949   15.24413   5.631613 0.9084806 7.843858 
1 1 1  -29    7   12 o 101.6507 1.352030  118.4438 2.224719   113.5000 4.400000   123.5000 4.500000   99.50407 1.930863   103.7972   1.893069 -4.293159 2.704060 
1 1 1  -29    7   13 o 206.8213 2.150164  491.1535 7.191319   484.3000 13.90000   498.5000 14.90000   205.3454 2.955763   208.2973   3.123506 -2.951965 4.300328 
1 1 1  -29    7   14 o 104.4999 1.937450  125.8488 3.139535   127.9000 5.400000   123.0000 7.500000   105.5757 2.233414   103.4241   3.166497 2.151627 3.874899 
1 1 1  -29    7   15 o 57.87773 1.799145  38.61194 1.674627   44.60000 3.400000   32.80000 3.300000   62.32636 2.382028   53.42910   2.696968 8.897255 3.598290 
1 1 1  -29    7   16 o 79.29987 1.538533  72.21393 1.974684   71.10000 4.000000   73.30000 3.900000   78.69153 2.219584   79.90820   2.131145 -1.216667 3.077066 
1 1 1  -29    7   17 o 127.8725 1.655433  187.9328 3.420438   187.0000 7.100000   188.8000 6.600000   127.5486 2.430650   128.1963   2.248061 -0.6477509 3.310866 
1 1 1  -29    7   18 o 89.63388 1.550121  92.35000 2.250000   92.20000 4.500000   92.50000 4.500000   89.56080 2.193988   89.70695   2.190413 -0.1461563 3.100241 
1 1 1  -29    7   19 o 85.07651 1.543160  83.12353 2.117647   81.10000 4.000000   85.40000 4.500000   83.99448 2.079452   86.15854   2.280625 -2.164063 3.086320 
1 1 1  -29    7   20 o 67.16633 1.724058  52.00400 1.872000   53.20000 3.900000   50.90000 3.600000   67.89389 2.508266   66.43877   2.366032 1.455124 3.448116 
1 1 1  -29    7   21 o 50.93867 1.993781  30.31385 1.621538   33.70000 3.100000   26.60000 3.400000   54.00790 2.506364   47.86943   3.101418 6.138466 3.987562 
1 1 1  -29    7   22 f 15.75715 4.131558  2.485714 1.371429   2.100000 2.400000   3.000000 3.200000   14.56678 5.404848   16.94752   6.250336 -2.380745 8.263116 
1 1 1  -29    7   23 o 50.33027 1.810032  29.42712 1.474576   30.80000 3.000000   28.10000 2.900000   51.48890 2.544177   49.17163   2.575272 2.317272 3.620064 
1 1 1  -29    7   24 o 12.83130 3.836668 -0.5524589 1.524590  -3.700000 3.000000   2.700000 3.100000   9.723788 4.665426   15.93880   6.092116 -6.215014 7.673336 
1 1 1  -29    7   25 o 44.65338 2.512648  24.34085 1.746479   26.00000 3.100000   22.20000 4.000000   46.80783 2.891897   42.49893   4.109810 4.308903 5.025297 
1 1 1  -29    7   26 o 41.30607 2.856262  20.96842 1.878947   20.70000 3.400000   21.30000 4.200000   41.31096 3.593796   41.30118   4.440446 0.9777069E-02 5.712524 
1 1 1  -29    7   27 o 45.62572 2.785956  26.11707 2.048780   29.60000 4.200000   22.80000 4.000000   48.77470 3.760056   42.47675   4.111956 6.297955 5.571912 
1 1 1  -29    9    1 o 19.20240 3.919069  4.418182 1.363636   2.400000 3.000000   6.100000 2.500000   16.07139 6.027016   22.33341   5.011135 -6.262024 7.838137 
1 1 1  -29    9    2 o 19.44537 4.135413  4.214754 1.521312   1.600000 2.900000   7.100000 3.200000   14.84777 5.832548   24.04296   5.864123 -9.195197 8.270825 
1 1 1  -29    9    3 o 67.06398 1.729310  51.83333 1.874667   54.30000 3.700000   49.30000 3.800000   68.69641 2.351838   65.43155   2.535923 3.264862 3.458619 
1 1 1  -29    9    4 o 17.90767 2.942414  2.220000 1.338182   8.200000 2.300000  -6.100000 3.200000   26.59577 3.776201   9.219570   4.513481 17.37620 5.884828 
1 1 1  -29    9    5 o 78.83211 1.672161  71.65882 2.117647   68.80000 4.500000   74.20000 4.000000   77.31619 2.541451   80.34801   2.173825 -3.031822 3.344322 
1 1 1  -29    9    6 o 45.23858 2.356900  23.62609 1.724638   25.30000 3.500000   22.00000 3.400000   46.82598 3.263780   43.65118   3.401125 3.174797 4.713800 
1 1 1  -29    9    7 o 36.48337 2.306881  15.46296 1.348148   17.10000 2.600000   13.70000 2.800000   38.52786 2.946715   34.43888   3.550166 4.088974 4.613763 
1 1 1  -29    9    8 o 57.36973 1.865726  38.00145 1.724638   41.50000 3.400000   34.40000 3.500000   60.07567 2.471269   54.66379   2.795812 5.411880 3.731452 
1 1 1  -29    9    9 o 20.67578 4.221538  5.086667 1.493333   6.100000 3.200000   4.200000 2.800000   22.41961 6.079334   18.93196   5.858944 3.487648 8.443076 
1 1 1  -29    9   10 o 42.66694 2.024803  20.88571 1.392857   19.40000 2.600000   22.60000 3.000000   41.04758 2.765830   44.28629   2.957956 -3.238705 4.049607 
1 1 1  -29    9   11 o 66.10922 1.595852  50.29853 1.686765   50.80000 3.100000   49.70000 3.700000   66.49609 2.035660   65.72234   2.458263 0.7737503 3.191704 
1 1 1  -29    9   12 o 52.71304 1.989655  31.85294 1.686765   29.30000 3.100000   34.90000 3.700000   50.42590 2.684403   55.00018   2.937497 -4.574276 3.979310 
1 1 1  -29    9   13 o 46.96597 2.037126  25.19032 1.524194   23.10000 2.700000   27.90000 3.500000   44.77883 2.632878   49.15310   3.109258 -4.374271 4.074253 
1 1 1  -29    9   14 o 78.08719 1.522357  70.08182 1.922078   71.90000 4.000000   68.40000 3.700000   79.05195 2.209465   77.12243   2.094887 1.929520 3.044715 
1 1 1  -29    9   15 o 18.54081 4.216913  4.020689 1.448276   3.400000 3.000000   4.600000 2.800000   17.58642 6.099715   19.49519   5.824337 -1.908772 8.433826 
1 1 1  -29    9   16 o 89.65618 1.567023  92.64835 2.274725   92.80000 4.600000   92.50000 4.500000   89.72274 2.238695   89.58962   2.193282 0.1331177 3.134046 
1 1 1  -29    9   17 o 41.95485 2.324573  20.52064 1.574603   19.20000 3.200000   21.80000 3.100000   40.59117 3.442375   43.31853   3.124839 -2.727367 4.649147 
1 1 1  -29    9   18 o 32.52967 2.846735  12.45333 1.493333   11.80000 2.800000   13.20000 3.200000   31.65676 3.862169   33.40259   4.183209 -1.745832 5.693469 
1 1 1  -29    9   19 o 22.34753 3.348442  6.765306 1.183674   9.500000 2.000000   2.800000 2.900000   28.48959 3.065374   16.20546   5.954136 12.28413 6.696884 
1 1 1  -29    9   20 o 39.10445 2.503922  18.52131 1.521312   22.80000 2.900000   13.80000 3.200000   44.18354 2.866007   34.02536   4.106643 10.15818 5.007845 
1 1 1  -29    9   21 o 33.35603 2.774919  13.42000 1.493333   12.30000 2.800000   14.70000 3.200000   31.91302 3.831156   34.79905   4.015339 -2.886038 5.549839 
1 1 1  -29    9   22 o 19.13113 3.875031  4.251613 1.548387   9.000000 3.200000 -0.2000000 3.000000   26.01490 5.540886   12.24736   5.418676 13.76754 7.750062 
1 1 1  -29    9   23 o 31.68325 3.167525  12.54923 1.624615   12.60000 3.300000   12.50000 3.200000   31.70741 4.544571   31.65909   4.413583 0.4831886E-01 6.335049 
1 1 1  -29    9   24 o 17.86223 3.990903  3.232258 1.491935 -0.8000000 2.500000   9.200000 3.700000   10.51009 4.773196   25.21437   6.397328 -14.70427 7.981805 
1 1 1  -29   11    1 o 32.05937 3.714799  14.06324 1.663235   18.20000 2.900000   8.500000 3.900000   39.17570 3.232369   24.94303   6.689598 14.23267 7.429598 
1 1 1  -29   11    2 o 18.82430 3.786220  4.148276 1.443103  0.3000000 3.100000   7.500000 2.700000   13.24549 5.687577   24.40312   4.999332 -11.15763 7.572441 
1 1 1  -29   11    3 o 16.37033 4.199507  2.242623 1.455738   0.000000 2.400000   5.700000 3.700000   11.55818 4.984103   21.18249   6.760337 -9.624312 8.399014 
1 1 1  -29   11    4 o 30.15213 3.107809  10.58525 1.475410   8.700000 2.500000   13.30000 3.600000   27.06436 4.033500   33.23990   4.729143 -6.175545 6.215619 
1 1 1  -29   11    5 o 23.90651 4.293547  7.249254 1.591045   6.900000 2.600000   7.800000 4.100000   23.47339 4.990246   24.33963   6.988248 -0.8662376 8.587093 
1 1 1  -29   11    6 o 45.53871 2.207242  24.17077 1.606154   25.50000 3.600000   23.10000 2.900000   46.57879 3.374846   44.49863   2.845713 2.080162 4.414484 
1 1 1  -29   11    7 o 65.50255 1.838183  49.84872 1.948718   51.90000 4.000000   47.90000 3.800000   66.81017 2.614310   64.19494   2.584774 2.615227 3.676367 
1 1 1  -29   11    8 o 18.30785 3.799686  3.275410 1.524590   7.800000 3.000000  -1.400000 3.100000   24.87130 5.420112   11.74441   5.326616 13.12689 7.599372 
1 1 1  -29   11    9 o 24.00147 3.715720  7.750000 1.458333   11.00000 2.500000   3.200000 3.500000   30.55616 3.572571   17.44677   6.516367 13.10939 7.431441 
1 1 1  -29   11   10 o 21.67326 4.543971  5.938571 1.744286   4.100000 3.300000   8.000000 3.700000   18.54599 6.399426   24.80053   6.452755 -6.254534 9.087942 
1 1 1  -29   11   11 o 41.80551 2.753909  20.82838 1.844595   22.20000 3.500000   19.30000 3.900000   43.39981 3.521437   40.21121   4.235036 3.188595 5.507818 
1 1 1  -29   11   12 o 23.29958 4.306212  7.078261 1.707246   9.100000 3.100000   4.600000 3.800000   26.98355 5.205135   19.61560   6.861517 7.367950 8.612424 
1 1 1  -29   11   13 o 22.46227 4.086529  6.536508 1.565079   4.000000 3.400000   8.700000 2.900000   18.47150 6.488713   26.45303   4.969456 -7.981537 8.173059 
1 1 1  -29   11   14 o 14.48372 4.142741  1.310000 1.393333  0.1000000 2.200000   3.400000 3.800000   11.15522 4.790723   17.81221   6.760044 -6.656992 8.285482 
1 1 1  -29   11   15 o 37.76971 2.794918  17.38806 1.674627   13.30000 3.300000   21.60000 3.400000   33.00138 4.366380   42.53804   3.490126 -9.536663 5.589835 
1 1 1  -29   11   16 o 44.40469 2.594888  23.73243 1.828378   24.00000 3.300000   23.40000 4.100000   44.93480 3.206792   43.87459   4.080472 1.060207 5.189776 
1 1 1  -29   11   17 o 27.19480 4.405374  11.13333 1.866667   5.200000 5.600000   14.10000 2.800000   20.20965 8.051951   34.17995   3.577060 -13.97030 8.810748 
1 1 1  -29   11   18 f 10.97081 3.643697 -3.268571 1.727143 -0.7000000 3.100000  -6.500000 3.900000   11.91363 5.371931   10.02799   4.924274 1.885647 7.287395 
1 1 1  -29   11   19 o 18.05002 3.492765  3.169091 1.352727  -1.500000 2.400000   9.200000 3.100000   9.766148 4.523256   26.33390   5.323325 -16.56775 6.985530 
1 1 1  -29   11   20 o 33.42131 3.480453  14.56533 1.874667   13.40000 3.800000   15.70000 3.700000   31.85848 5.208327   34.98413   4.618174 -3.125652 6.960905 
1 1 1  -29   13    3 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -29   13    4 o 15.05564 4.484028  2.009333 1.874667   2.700000 3.700000   1.300000 3.800000   15.70830 6.440156   14.40299   6.241027 1.305308 8.968056 
1 1 1  -29   13    5 o 24.72838 4.092227  8.883117 1.916883   14.40000 3.600000   2.600000 4.100000   33.41203 4.704780   16.04474   6.697038 17.36729 8.184453 
1 1 1  -29   13    6 o 19.70541 4.829205  5.614285 1.885714   6.000000 3.300000   5.100000 4.400000   20.38904 6.368958   19.02178   7.260940 1.367258 9.658409 
1 1 1  -29   13    7 o 24.88626 4.862899  9.316667 2.080952   10.90000 3.800000   7.400000 4.600000   27.85529 6.123680   21.91724   7.555906 5.938051 9.725799 
1 1 1  -29   13    8 o 29.05641 3.611850  11.03939 1.625758   10.60000 2.900000   11.60000 3.700000   29.01510 4.364291   29.09773   5.756283 -0.8263016E-01 7.223699 
1 1 1  -29   13    9 o 17.71453 4.748052  3.993671 1.883544   4.700000 3.100000   2.900000 4.800000   18.38519 6.205361   17.04387   7.188148 1.341312 9.496103 
1 1 1  -29   13   10 o 15.90961 4.335518  2.780597 1.665672   4.400000 3.100000  0.9000000 3.600000   17.85969 6.200201   13.95952   6.061714 3.900167 8.671037 
1 1 1  -29   13   11 o 17.27440 4.304814  4.083333 1.498333   3.600000 2.900000   4.600000 3.100000   16.47693 5.969206   18.07187   6.204374 -1.594933 8.609628 
1 1 1  -29   13   12 o 12.95613 4.081983 0.2420290 1.681159  0.3000000 4.000000  0.2000000 2.900000   13.78771 6.168583   12.12456   5.347795 1.663150 8.163965 
1 1 1  -28    0    1 o 110.7254 1.696645  140.5000 4.300000   140.5000 4.300000   140.5000 4.300000   110.7254 1.696645   110.7254   1.696645 -0.000000 0.000000 
1 1 1  -28    0    2 o 46.00785 1.331249  24.30000 1.400000   24.30000 1.400000   24.30000 1.400000   46.00785 1.331249   46.00785   1.331249 0.000000 0.000000 
1 1 1  -28    0    3 o 307.5410 3.706973  1083.900 26.10000   1083.900 26.10000   1083.900 26.10000   307.5410 3.706973   307.5410   3.706973 -0.000000 0.000000 
1 1 1  -28    0    4 o 377.5601 4.372971  1633.800 37.80000   1633.800 37.80000   1633.800 37.80000   377.5601 4.372971   377.5601   4.372971 -0.000000 0.000000 
1 1 1  -28    0    5 o 435.5693 4.933703  2174.600 49.20000   2174.600 49.20000   2174.600 49.20000   435.5693 4.933703   435.5693   4.933703 -0.000000 0.000000 
1 1 1  -28    0    6 o 315.8138 3.665104  1142.900 26.50000   1142.900 26.50000   1142.900 26.50000   315.8138 3.665104   315.8138   3.665104 -0.000000 0.000000 
1 1 1  -28    0    7 o 17.01700 1.570342  3.400000 0.6000000   3.400000 0.6000000   3.400000 0.6000000   17.01700 1.570342   17.01700   1.570342 0.000000 0.000000 
1 1 1  -28    0    8 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -28    0    9 o 233.0855 2.848486  622.5000 15.20000   622.5000 15.20000   622.5000 15.20000   233.0855 2.848486   233.0855   2.848486 -0.000000 0.000000 
1 1 1  -28    0   10 o 46.26506 1.608896  24.60000 1.700000   24.60000 1.700000   24.60000 1.700000   46.26506 1.608896   46.26506   1.608896 0.000000 0.000000 
1 1 1  -28    0   11 o 430.3787 4.993278  2123.200 49.20000   2123.200 49.20000   2123.200 49.20000   430.3787 4.993278   430.3787   4.993278 0.000000 0.000000 
1 1 1  -28    0   12 o 350.5635 4.186506  1408.500 33.60000   1408.500 33.60000   1408.500 33.60000   350.5635 4.186506   350.5635   4.186506 0.000000 0.000000 
1 1 1  -28    0   13 o 234.5692 2.942251  630.5000 15.80000   630.5000 15.80000   630.5000 15.80000   234.5692 2.942251   234.5692   2.942251 -0.000000 0.000000 
1 1 1  -28    0   14 o 145.9726 2.214754  244.2000 7.400000   244.2000 7.400000   244.2000 7.400000   145.9726 2.214754   145.9726   2.214754 0.000000 0.000000 
1 1 1  -28    0   15 o 130.2112 1.912395  194.3000 5.700000   194.3000 5.700000   194.3000 5.700000   130.2112 1.912395   130.2112   1.912395 -0.000000 0.000000 
1 1 1  -28    0   16 o 316.6131 3.945743  1149.300 28.60000   1149.300 28.60000   1149.300 28.60000   316.6131 3.945743   316.6131   3.945743 0.000000 0.000000 
1 1 1  -28    0   17 o 82.15750 1.702407  77.40000 3.200000   77.40000 3.200000   77.40000 3.200000   82.15750 1.702407   82.15750   1.702407 -0.000000 0.000000 
1 1 1  -28    0   18 o 334.0435 6.030550  1282.300 46.10000   1282.300 46.10000   1282.300 46.10000   334.0435 6.030550   334.0435   6.030550 0.000000 0.000000 
1 1 1  -28    0   19 o 305.0174 3.809337  1067.100 26.60000   1067.100 26.60000   1067.100 26.60000   305.0174 3.809337   305.0174   3.809337 -0.000000 0.000000 
1 1 1  -28    0   20 o 137.5988 2.254480  217.1000 7.100000   217.1000 7.100000   217.1000 7.100000   137.5988 2.254480   137.5988   2.254480 -0.000000 0.000000 
1 1 1  -28    0   21 o 40.92883 3.359355  19.60000 3.100000   19.60000 3.100000   19.60000 3.100000   40.92883 3.359355   40.92883   3.359355 0.000000 0.000000 
1 1 1  -28    0   22 o 133.1009 2.330867  203.3000 7.100000   203.3000 7.100000   203.3000 7.100000   133.1009 2.330867   133.1009   2.330867 0.000000 0.000000 
1 1 1  -28    0   23 o 81.26300 2.206762  75.90000 4.100000   75.90000 4.100000   75.90000 4.100000   81.26300 2.206762   81.26300   2.206762 0.000000 0.000000 
1 1 1  -28    0   24 o 102.1968 1.881427  119.9000 4.400000   119.9000 4.400000   119.9000 4.400000   102.1968 1.881427   102.1968   1.881427 0.000000 0.000000 
1 1 1  -28    0   25 o 112.1182 2.495338  144.7000 6.400000   144.7000 6.400000   144.7000 6.400000   112.1182 2.495338   112.1182   2.495338 0.000000 0.000000 
1 1 1  -28    0   26 f 5.899382 4.298687 -7.600000 3.400000  -7.600000 3.400000  -7.600000 3.400000   5.899382 4.298687   5.899382   4.298687 0.000000 0.000000 
1 1 1  -28    0   27 o 22.10609 6.778643  7.200000 3.000000   7.200000 3.000000   7.200000 3.000000   22.10609 6.778643   22.10609   6.778643 0.000000 0.000000 
1 1 1  -28    0   28 o 35.32007 4.241676  15.30000 3.300000   15.30000 3.300000   15.30000 3.300000   35.32007 4.241676   35.32007   4.241676 0.000000 0.000000 
1 1 1  -28    0   29 o 11.49911 7.019417  1.900000 3.500000   1.900000 3.500000   1.900000 3.500000   11.49911 7.019417   11.49911   7.019417 0.000000 0.000000 
1 1 1  -28    0   30 o 30.93984 5.253152  12.50000 3.400000   12.50000 3.400000   12.50000 3.400000   30.93984 5.253152   30.93984   5.253152 0.000000 0.000000 
1 1 1  -28    2    1 o 107.7496 1.595209  132.9156 2.603670   132.6000 4.300000   133.4000 6.600000   107.5970 1.745051   107.9022   2.670874 -0.3052139 3.190418 
1 1 1  -28    2    2 o 36.24274 1.631529  15.20000 0.8000000   15.50000 1.200000   14.60000 2.400000   36.78905 1.424303   35.69643   2.935798 1.092617 3.263058 
1 1 1  -28    2    3 o 133.1740 1.606005  203.5940 3.134328   204.9000 5.000000   201.4000 8.400000   133.7580 1.632263   132.5900   2.766357 1.167969 3.212010 
1 1 1  -28    2    4 o 287.9332 2.935413  948.0543 11.92114   943.0000 18.30000   957.5000 34.20000   286.9108 2.785120   288.9557   5.168144 -2.044922 5.870827 
1 1 1  -28    2    5 o 153.4623 1.867961  268.4823 4.245304   264.5000 6.800000   275.1000 11.30000   151.9681 1.953872   154.9566   3.184257 -2.988480 3.735921 
1 1 1  -28    2    6 o 173.3047 2.566460  344.2028 7.199653   358.3000 14.50000   330.3000 14.30000   176.8312 3.580542   169.7781   3.677851 7.053146 5.132920 
1 1 1  -28    2    7 o 114.6144 1.845190  150.2759 3.420438   160.9000 7.100000   140.4000 6.600000   118.5179 2.615857   110.7109   2.603114 7.807045 3.690381 
1 1 1  -28    2    8 o 311.6198 3.851672  1114.761 19.36701   1090.500 40.40000   1137.100 37.20000   308.3348 5.721350   314.9048   5.158263 -6.569946 7.703344 
1 1 1  -28    2    9 o 342.2970 3.420534  1332.979 16.53164   1378.000 47.70000   1309.100 25.30000   346.5700 6.009898   338.0239   3.268231 8.546082 6.841068 
1 1 1  -28    2   10 o 511.9183 4.916594  3004.839 36.41322   3022.600 100.2000   2994.700 57.20000   512.7665 8.532725   511.0701   4.887146 1.696381 9.833188 
1 1 1  -28    2   11 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -28    2   12 o 149.8356 1.483670  257.1104 3.599306   260.0000 7.300000   254.3000 7.100000   150.6656 2.115672   149.0056   2.080633 1.660034 2.967339 
1 1 1  -28    2   13 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -28    2   14 o 242.5445 2.144836  673.6282 8.416023   655.2000 16.30000   693.3000 17.40000   239.1208 2.976528   245.9682   3.088943 -6.847473 4.289672 
1 1 1  -28    2   15 o 180.9926 1.816864  375.3531 5.324883   376.0000 10.60000   374.7000 10.70000   181.1500 2.555097   180.8352   2.583690 0.3147278 3.633727 
1 1 1  -28    2   16 o 49.69561 1.490936  28.25833 1.197917   29.30000 2.500000   27.30000 2.300000   50.57340 2.158527   48.81783   2.057260 1.755569 2.981871 
1 1 1  -28    2   17 o 93.12141 1.342318  98.86666 2.009876   92.70000 3.700000   106.2000 4.400000   89.95949 1.795951   96.28334   1.995452 -6.323853 2.684635 
1 1 1  -28    2   18 o 146.8673 1.985288  250.8233 4.180000   260.1000 6.600000   234.8000 11.40000   150.6718 1.912722   143.0628   3.479507 7.608963 3.970576 
1 1 1  -28    2   19 o 44.37493 2.031589  22.39310 1.406897   21.40000 2.400000   23.80000 3.400000   43.20613 2.425524   45.54373   3.259793 -2.337597 4.063179 
1 1 1  -28    2   20 o 132.7621 1.851946  202.4848 3.898734   204.7000 7.000000   199.7000 8.800000   133.6114 2.287675   131.9129   2.912964 1.698502 3.703892 
1 1 1  -28    2   21 o 251.9948 2.757125  733.2748 10.25573   738.8000 16.50000   724.2000 27.10000   253.6048 2.840967   250.3847   4.726082 3.220139 5.514249 
1 1 1  -28    2   22 o 63.19436 1.541040  45.75079 1.565079   44.60000 2.900000   47.10000 3.400000   62.34298 2.031188   64.04573   2.318080 -1.702751 3.082081 
1 1 1  -28    2   23 o 36.08104 2.748601  15.55333 1.393333   16.80000 2.200000   13.40000 3.800000   38.22308 2.513256   33.93900   4.889047 4.284073 5.497203 
1 1 1  -28    2   24 f 64.38922 1.948277  48.03671 1.883544   48.90000 3.100000   46.70000 4.800000   65.22388 2.075366   63.55456   3.297876 1.669319 3.896554 
1 1 1  -28    2   25 o 56.92702 1.966337  37.82000 1.658571   38.90000 2.700000   36.10000 4.300000   58.12604 2.028302   55.72800   3.369261 2.398033 3.932675 
1 1 1  -28    2   26 o 35.98771 3.201885  15.59444 1.731945   16.40000 2.900000   14.40000 4.300000   37.44914 3.381395   34.52628   5.438240 2.922855 6.403771 
1 1 1  -28    2   27 o 46.29863 2.626435  26.25406 1.783784   29.70000 3.000000   21.20000 4.400000   50.54744 2.591563   42.04982   4.569075 8.497627 5.252870 
1 1 1  -28    2   28 o 22.60210 4.156009  6.913235 1.627941   8.700000 2.700000   4.200000 4.100000   26.59710 4.432709   18.60711   7.031409 7.989986 8.312017 
1 1 1  -28    2   29 o 26.24742 4.740272  9.691359 1.972839   8.600000 3.400000   11.20000 4.700000   24.98042 6.015133   27.51442   7.327953 -2.533997 9.480544 
1 1 1  -28    2   30 o 38.52534 3.723017  20.09383 1.832099   21.20000 2.800000   18.00000 5.300000   42.03383 2.908699   35.01686   6.854408 7.016964 7.446035 
1 1 1  -28    4    1 o 199.0866 1.948613  454.5669 6.274104   472.5000 12.40000   436.2000 12.70000   203.0691 2.666353   195.1041   2.842347 7.964996 3.897227 
1 1 1  -28    4    2 o 276.6151 2.438890  877.0675 10.92357   893.2000 22.10000   861.3000 21.60000   279.1292 3.457217   274.1010   3.440986 5.028259 4.877780 
1 1 1  -28    4    3 o 153.9196 1.695377  271.4515 4.224852   279.7000 8.500000   263.3000 8.400000   156.2453 2.375481   151.5939   2.419566 4.651474 3.390754 
1 1 1  -28    4    4 o 124.9792 1.568775  178.5286 3.085714   176.0000 5.400000   181.9000 7.200000   123.9565 1.902236   126.0020   2.495140 -2.045502 3.137551 
1 1 1  -28    4    5 f 193.0354 1.951803  426.9045 6.096312   425.1000 11.90000   428.8000 12.50000   192.6199 2.697650   193.4509   2.821493 -0.8310394 3.903605 
1 1 1  -28    4    6 o 233.6576 2.173520  624.3638 8.197568   599.3000 15.50000   652.5000 17.40000   228.6965 2.959455   238.6187   3.184083 -9.922180 4.347041 
1 1 1  -28    4    7 o 207.6792 1.963472  494.3333 6.598485   485.4000 13.40000   503.0000 13.00000   205.8271 2.842772   209.5312   2.709158 -3.704147 3.926944 
1 1 1  -28    4    8 f 293.3732 2.610120  985.9839 12.38710   1007.300 25.60000   966.0000 24.00000   296.4370 3.770919   290.3093   3.609857 6.127747 5.220239 
1 1 1  -28    4    9 o 185.6936 1.837440  395.0611 5.524887   397.5000 11.00000   392.6000 11.10000   186.2701 2.578631   185.1170   2.618282 1.153091 3.674879 
1 1 1  -28    4   10 o 172.4543 1.665077  340.7000 4.650000   341.5000 9.300000   339.9000 9.300000   172.6569 2.352008   172.2518   2.357539 0.4051208 3.330155 
1 1 1  -28    4   11 o 297.2935 2.528726  1012.008 12.15236   1046.900 25.40000   980.0000 23.30000   302.1923 3.670203   292.3947   3.479574 9.797607 5.057453 
1 1 1  -28    4   12 o 244.9762 2.230823  687.7915 8.848870   697.5000 17.90000   678.3000 17.50000   246.6846 3.168478   243.2677   3.141183 3.416855 4.461646 
1 1 1  -28    4   13 f 123.9592 1.469902  176.0500 2.950000   171.9000 5.900000   180.2000 5.900000   122.4974 2.103125   125.4211   2.054098 -2.923737 2.939805 
1 1 1  -28    4   14 o 296.7114 3.207391  1009.230 14.75526   1005.500 25.20000   1014.500 35.60000   296.1424 3.715691   297.2803   5.229060 -1.137848 6.414782 
1 1 1  -28    4   15 o 243.9683 2.291658  682.5953 9.048895   669.3000 18.30000   695.6000 17.90000   241.6114 3.307298   246.3252   3.173100 -4.713791 4.583316 
1 1 1  -28    4   16 o 203.0699 1.956924  472.6945 6.403113   473.7000 13.60000   471.8000 12.10000   203.2603 2.921636   202.8795   2.604276 0.3808136 3.913848 
1 1 1  -28    4   17 o 254.6664 2.291487  743.7101 9.443386   756.9000 19.40000   731.2000 18.40000   256.8574 3.297990   252.4755   3.182279 4.381882 4.582973 
1 1 1  -28    4   18 o 147.2571 1.688975  248.7348 4.023602   253.2000 7.900000   244.1000 8.200000   148.6099 2.321235   145.9043   2.454062 2.705597 3.377950 
1 1 1  -28    4   19 f 185.4157 1.890311  394.2308 5.666079   386.5000 10.90000   402.6000 11.80000   183.5358 2.593257   187.2957   2.751021 -3.759964 3.780621 
1 1 1  -28    4   20 o 144.3645 1.594527  239.3060 3.724832   230.9000 7.500000   247.6000 7.400000   141.8368 2.308937   146.8923   2.199745 -5.055542 3.189054 
1 1 1  -28    4   21 o 258.3882 2.505358  770.0892 10.46492   776.0000 20.30000   763.8000 21.60000   259.4755 3.416169   257.3009   3.665661 2.174622 5.010716 
1 1 1  -28    4   22 o 80.40552 1.612846  74.30000 2.100000   74.70000 4.200000   73.90000 4.200000   80.62274 2.274738   80.18829   2.287062 0.4344559 3.225692 
1 1 1  -28    4   23 o 90.00389 1.492310  93.12299 2.174713   90.80000 4.300000   95.50000 4.400000   88.86799 2.112822   91.13980   2.108067 -2.271812 2.984621 
1 1 1  -28    4   24 o 110.6781 1.757425  141.3341 3.146825   145.1000 6.500000   137.8000 6.100000   112.0890 2.532153   109.2671   2.437700 2.821953 3.514851 
1 1 1  -28    4   25 o 34.54530 2.907804  13.41692 1.486154   11.40000 2.300000   17.10000 4.200000   31.25686 3.213085   37.83373   4.847411 -6.576868 5.815609 
1 1 1  -28    4   26 o 26.14363 3.777615  8.148387 1.419355   6.800000 2.200000   10.60000 4.000000   23.57782 4.229765   28.70945   6.260238 -5.131624 7.555229 
1 1 1  -28    4   27 o 44.37209 2.786618  25.66429 1.607143   29.70000 2.500000   18.40000 4.500000   50.49164 2.162023   38.25255   5.136790 12.23909 5.573236 
1 1 1  -28    4   28 o 56.89858 1.958347  38.34167 1.787500   37.70000 3.300000   39.10000 3.900000   56.53001 2.549028   57.26715   2.973711 -0.7371407 3.916695 
1 1 1  -28    4   29 o 19.45691 4.653035  5.100000 1.843902   6.500000 2.800000   2.400000 5.400000   21.74684 5.591103   17.16699   7.439253 4.579845 9.306069 
1 1 1  -28    6    1 o 193.7125 1.986247  430.0133 6.202410   423.2000 11.70000   437.7000 13.20000   192.0983 2.659513   195.3268   2.950882 -3.228470 3.972495 
1 1 1  -28    6    2 o 214.1144 2.214964  526.1300 7.672965   537.0000 15.10000   514.9000 15.60000   216.3741 3.047274   211.8547   3.215335 4.519394 4.429927 
1 1 1  -28    6    3 o 292.5812 2.606522  981.6118 12.33360   1008.300 25.60000   956.8000 23.80000   296.4007 3.771382   288.7617   3.598960 7.638977 5.213045 
1 1 1  -28    6    4 o 39.16654 2.325577  17.56949 1.471186   17.00000 2.800000   18.20000 3.100000   38.50095 3.175604   39.83214   3.398347 -1.331196 4.651153 
1 1 1  -28    6    5 o 236.4947 2.212929  641.3345 8.474337   648.8000 17.10000   634.0000 16.80000   237.8579 3.139195   235.1315   3.119882 2.726456 4.425857 
1 1 1  -28    6    6 o 203.9699 2.028447  476.9500 6.700000   477.6000 13.40000   476.3000 13.40000   204.1091 2.866699   203.8307   2.870614 0.2783203 4.056894 
1 1 1  -28    6    7 o 139.2085 1.574868  222.0408 3.549296   222.7000 7.200000   221.4000 7.000000   139.4110 2.255148   139.0059   2.198895 0.4051666 3.149735 
1 1 1  -28    6    8 o 320.5074 2.817806  1178.719 14.62462   1184.800 29.40000   1172.700 29.10000   321.3282 3.995196   319.6867   3.974735 1.641571 5.635611 
1 1 1  -28    6    9 o 62.76767 1.501652  45.17049 1.524590   46.40000 3.000000   43.90000 3.100000   63.63791 2.058473   61.89744   2.186899 1.740463 3.003304 
1 1 1  -28    6   10 o 184.1409 1.895570  388.4566 5.638938   383.2000 10.80000   394.2000 11.80000   182.8453 2.579168   185.4364   2.778604 -2.591141 3.791141 
1 1 1  -28    6   11 o 75.48351 1.446493  65.52857 1.727143   67.30000 3.100000   63.30000 3.900000   76.64587 1.766089   74.32113   2.291353 2.324745 2.892986 
1 1 1  -28    6   12 o 117.3277 1.463215  157.4946 2.756757   160.9000 6.000000   154.6000 5.100000   118.4936 2.211038   116.1618   1.917108 2.331795 2.926430 
1 1 1  -28    6   13 o 175.9378 1.843801  354.4714 5.232857   347.4000 9.900000   362.4000 11.10000   174.0882 2.483165   177.7875   2.726224 -3.699326 3.687601 
1 1 1  -28    6   14 o 31.86103 2.285518  11.62340 1.161702   11.40000 2.100000   11.90000 2.600000   31.52557 2.908680   32.19649   3.526181 -0.6709156 4.571036 
1 1 1  -28    6   15 o 68.01880 1.459376  53.21875 1.598437   56.90000 3.100000   49.30000 3.300000   70.46045 1.921126   65.57715   2.197360 4.883301 2.918752 
1 1 1  -28    6   16 o 125.5344 1.599924  180.8200 3.249231   176.2000 6.600000   185.3000 6.400000   123.9488 2.325098   127.1200   2.198396 -3.171143 3.199847 
1 1 1  -28    6   17 o 108.7169 1.561785  135.4736 2.746364   140.5000 5.700000   130.8000 5.300000   110.6571 2.249238   106.7767   2.167399 3.880356 3.123570 
1 1 1  -28    6   18 o 180.6441 1.837165  374.5005 5.369302   395.1000 11.10000   355.2000 10.40000   185.4472 2.613620   175.8410   2.582574 9.606171 3.674330 
1 1 1  -28    6   19 o 45.28977 2.796003  0.000000 0.000000          ?        ?   23.60000 2.900000          ?        ?   45.28977   2.796003       ?       ? 
1 1 1  -28    6   20 o 28.95231 3.409287  10.08852 1.521312   11.80000 2.900000   8.200000 3.200000   31.91382 3.967884   25.99080   5.545165 5.923021 6.818574 
1 1 1  -28    6   21 o 56.47012 1.916160  36.74572 1.748571   40.50000 3.600000   33.20000 3.400000   59.28169 2.651683   53.65856   2.766812 5.623127 3.832319 
1 1 1  -28    6   22 o 24.94011 3.301311  7.627451 1.262745   6.200000 2.800000   8.800000 2.300000   22.39864 5.499035   27.48159   3.654481 -5.082951 6.602622 
1 1 1  -28    6   23 o 41.27802 2.580539  19.94493 1.724638   20.30000 3.500000   19.60000 3.400000   41.63483 3.670717   40.92120   3.628025 0.7136307 5.161078 
1 1 1  -28    6   24 o 74.75027 1.572699  63.97369 1.852632   59.30000 3.200000   70.40000 4.400000   71.64462 1.950321   77.85593   2.467748 -6.211311 3.145398 
1 1 1  -28    6   25 o 52.34929 2.300138  32.33077 1.948718   31.60000 3.800000   33.10000 4.000000   51.76500 3.205436   52.93358   3.299654 -1.168579 4.600276 
1 1 1  -28    6   26 o 39.07254 2.977298  18.63600 1.858667   18.80000 4.100000   18.50000 3.400000   38.99849 4.590667   39.14659   3.792492 -0.1481056 5.954597 
1 1 1  -28    6   27 o 60.38415 2.224154  43.60690 2.172414   42.40000 4.200000   44.90000 4.500000   59.57441 3.078430   61.19389   3.211029 -1.619480 4.448307 
1 1 1  -28    6   28 o 50.10773 2.344948  30.66974 1.898684   29.90000 3.900000   31.40000 3.700000   49.36737 3.449565   50.84810   3.177362 -1.480732 4.689897 
1 1 1  -28    8    1 o 76.24240 1.539673  66.75921 1.898684   67.10000 3.700000   66.40000 3.900000   76.44851 2.113355   76.03629   2.239667 0.4122238 3.079347 
1 1 1  -28    8    2 f 68.76171 1.788168  54.65316 1.972152   59.80000 3.800000   49.10000 4.100000   72.16761 2.299222   65.35581   2.739298 6.811798 3.576336 
1 1 1  -28    8    3 o 94.96369 2.233391  101.0822 3.093333   93.90000 4.800000   114.1000 8.700000   90.44286 2.317430   99.48452   3.818593 -9.041656 4.466782 
1 1 1  -28    8    4 o 80.55304 1.933827  74.87551 2.326531   73.10000 6.000000   76.00000 3.800000   79.71120 3.286788   81.39487   2.038573 -1.683678 3.867655 
1 1 1  -28    8    5 o 54.13599 1.825122  33.65000 1.600000   33.50000 3.200000   33.80000 3.200000   54.01500 2.586874   54.25698   2.575337 -0.2419739 3.650244 
1 1 1  -28    8    6 o 53.85063 1.721971  33.14000 1.485000   31.70000 2.700000   34.90000 3.300000   52.56536 2.242869   55.13591   2.613480 -2.570545 3.443942 
1 1 1  -28    8    7 f 61.34509 1.738617  43.20145 1.724638   46.60000 3.500000   39.90000 3.400000   63.72770 2.398167   58.96249   2.517925 4.765217 3.477234 
1 1 1  -28    8    8 o 60.27416 1.764578  41.28551 1.707246   35.40000 3.100000   48.50000 3.800000   55.54265 2.437108   65.00568   2.552537 -9.463028 3.529156 
1 1 1  -28    8    9 o 38.16769 2.063766  16.72941 1.274510   17.80000 2.600000   15.70000 2.500000   39.36658 2.883934   36.96880   2.952870 2.397785 4.127532 
1 1 1  -28    8   10 f 30.51838 4.033442  10.16667 1.733333   7.500000 2.600000   15.50000 5.200000   25.08507 4.698490   35.95169   6.557349 -10.86662 8.066885 
1 1 1  -28    8   11 o 146.5611 1.738153  246.5709 4.123636   245.0000 8.100000   248.2000 8.400000   146.0912 2.421032   147.0309   2.494655 -0.9396210 3.476305 
1 1 1  -28    8   12 o 61.51880 1.704420  43.45821 1.629851   43.50000 2.800000   43.40000 3.900000   61.58021 1.985439   61.45738   2.770960 0.1228294 3.408840 
1 1 1  -28    8   13 o 23.76969 3.845022  6.841379 1.434483   7.200000 2.600000   6.400000 3.200000   24.52396 4.801221   23.01543   6.007084 1.508533 7.690044 
1 1 1  -28    8   14 o 47.89433 2.047372  26.77903 1.524194   29.00000 2.700000   23.90000 3.500000   50.24704 2.346351   45.54163   3.355824 4.705410 4.094743 
1 1 1  -28    8   15 o 41.18196 2.258332  19.58000 1.493333   20.00000 2.800000   19.10000 3.200000   41.67703 2.933600   40.68689   3.434276 0.9901390 4.516665 
1 1 1  -28    8   16 o 42.42830 2.290682  20.67302 1.565079   19.20000 2.900000   22.40000 3.400000   40.80711 3.103144   44.04949   3.370371 -3.242382 4.581365 
1 1 1  -28    8   17 o 139.6769 1.813878  224.5683 4.090244   227.4000 8.600000   222.0000 7.800000   140.4816 2.673122   138.8722   2.452556 1.609360 3.627756 
1 1 1  -28    8   18 o 29.48784 2.989741  10.12105 1.421053   8.700000 2.700000   11.70000 3.000000   27.29590 4.319227   31.67978   4.135032 -4.383875 5.979482 
1 1 1  -28    8   19 o 124.6108 1.773982  179.3147 3.566434   179.6000 6.800000   179.0000 7.500000   124.7671 2.379845   124.4545   2.631422 0.3126373 3.547963 
1 1 1  -28    8   20 o 50.76122 2.129196  30.42647 1.663235   32.90000 2.900000   27.10000 3.900000   53.35931 2.373163   48.16312   3.535816 5.196190 4.258392 
1 1 1  -28    8   21 o 47.91482 1.966768  26.72131 1.524590   25.00000 3.000000   28.50000 3.100000   46.33294 2.827295   49.49670   2.734797 -3.163765 3.933537 
1 1 1  -28    8   22 o 67.75509 1.618193  53.20704 1.774648   53.70000 3.500000   52.70000 3.600000   68.08878 2.244565   67.42139   2.331548 0.6673889 3.236385 
1 1 1  -28    8   23 o 28.03384 3.716676  10.13846 1.621538   10.40000 3.400000   9.900000 3.100000   28.27319 5.448601   27.79449   5.056428 0.4787025 7.433352 
1 1 1  -28    8   24 o 51.77748 2.243307  31.92000 1.848000   30.60000 3.300000   33.60000 4.200000   50.78996 2.837107   52.76500   3.475706 -1.975040 4.486614 
1 1 1  -28    8   25 o 27.79026 4.286855  10.61200 1.872000   10.90000 3.600000   10.30000 3.900000   28.44445 5.724617   27.13607   6.382575 1.308374 8.573709 
1 1 1  -28    8   26 o 16.03369 4.157803  3.193548 1.470968   1.600000 3.800000   4.200000 2.400000   14.66603 6.297298   17.40134   5.430776 -2.735304 8.315605 
1 1 1  -28   10    1 o 63.83559 1.748848  47.24305 1.798611   50.50000 3.500000   43.80000 3.700000   66.14334 2.310583   61.52783   2.625849 4.615509 3.497696 
1 1 1  -28   10    2 o 12.60609 3.884871 -1.350000 1.600000   1.400000 3.200000  -4.100000 3.200000   15.00348 6.048764   10.20871   4.876612 4.794770 7.769742 
1 1 1  -28   10    3 o 24.94096 4.538595  7.772973 1.848649   6.800000 3.600000   8.800000 3.800000   23.35538 6.494902   26.52654   6.341265 -3.171158 9.077190 
1 1 1  -28   10    4 o 10.36569 3.433712 -3.550000 1.500000  -1.100000 3.000000  -6.000000 3.000000   11.96432 5.348237   8.767069   4.307887 3.197250 6.867425 
1 1 1  -28   10    5 o 73.53879 1.744469  62.37711 2.072289   61.60000 4.300000   63.10000 4.000000   73.07533 2.569434   74.00226   2.360232 -0.9269333 3.488938 
1 1 1  -28   10    6 f 63.95523 1.719861  47.23662 1.771831   45.10000 3.700000   49.20000 3.400000   62.53884 2.583400   65.37161   2.271064 -2.832771 3.439722 
1 1 1  -28   10    7 o 107.3475 1.610725  132.6500 2.800000   132.4000 5.600000   132.9000 5.600000   107.2458 2.280066   107.4492   2.275750 -0.2033844 3.221449 
1 1 1  -28   10    8 o 19.95389 4.241602  4.643333 1.473333   6.400000 3.400000   3.300000 2.600000   22.82368 6.298829   17.08410   5.682386 5.739584 8.483205 
1 1 1  -28   10    9 o 62.87074 1.572776  45.43750 1.593750   46.50000 3.400000   44.50000 3.000000   63.54508 2.336344   62.19640   2.106181 1.348682 3.145553 
1 1 1  -28   10   10 o 55.42966 1.782021  35.33437 1.593750   33.60000 3.000000   37.30000 3.400000   53.99632 2.426033   56.86301   2.610891 -2.866688 3.564041 
1 1 1  -28   10   11 o 20.23825 4.619875  4.846377 1.724638   4.600000 3.400000   5.100000 3.500000   19.81635 6.493610   20.66015   6.573127 -0.8438034 9.239750 
1 1 1  -28   10   12 o 49.43869 2.227010  28.39577 1.766197   29.00000 3.300000   27.70000 3.800000   50.05712 2.878643   48.82027   3.398781 1.236855 4.454020 
1 1 1  -28   10   13 o 40.07388 2.347459  19.00170 1.474576   13.30000 2.900000   24.90000 3.000000   33.76346 3.750514   46.38430   2.824164 -12.62084 4.694918 
1 1 1  -28   10   14 f 47.24578 2.450958  25.97600 1.872000   26.60000 3.900000   25.40000 3.600000   47.76804 3.565060   46.72351   3.364393 1.044529 4.901917 
1 1 1  -28   10   15 o 34.94228 3.007868  14.37647 1.694118   16.60000 3.600000   12.40000 3.200000   37.50146 4.191736   32.38309   4.314907 5.118374 6.015735 
1 1 1  -28   10   16 f 20.70805 4.313872  5.286567 1.665672   7.600000 3.100000   2.600000 3.600000   24.54677 5.633825   16.86932   6.534369 7.677450 8.627745 
1 1 1  -28   10   17 o 35.34641 2.654812  14.78000 1.493333   11.00000 2.800000   19.10000 3.200000   30.41960 4.019243   40.27321   3.469552 -9.853613 5.309624 
1 1 1  -28   10   18 o 23.05510 4.126423  6.706451 1.524194   5.400000 2.700000   8.400000 3.500000   20.59617 5.583948   25.51404   6.076924 -4.917875 8.252847 
1 1 1  -28   10   19 o 47.26815 2.375172  26.08630 1.783562   21.50000 3.100000   32.30000 4.200000   42.56913 3.179850   51.96716   3.529068 -9.398026 4.750343 
1 1 1  -28   10   20 f 25.30083 3.697047  8.933898 1.423729   11.70000 2.400000   4.900000 3.500000   31.31022 3.347070   19.29143   6.593160 12.01879 7.394095 
1 1 1  -28   10   21 o 26.06145 3.648124  8.952542 1.423729   9.400000 2.400000   8.300000 3.500000   27.75024 3.776453   24.37266   6.242886 3.377581 7.296247 
1 1 1  -28   10   22 o 13.22107 4.127885 -0.2253521 1.774648   1.600000 3.600000  -2.000000 3.500000   14.82172 6.236654   11.62041   5.409425 3.201309 8.255770 
1 1 1  -28   10   23 o 29.55785 3.239789  11.29677 1.548387   11.20000 3.000000   11.40000 3.200000   29.53351 4.435534   29.58219   4.723450 -0.4868507E-01 6.479579 
1 1 1  -28   12    1 o 15.19174 3.894738  1.100000 1.593750   5.600000 3.000000  -4.000000 3.400000   20.13762 6.031595   10.24585   4.929078 9.891770 7.789476 
1 1 1  -28   12    2 o 19.08644 3.966485  2.449296 1.715493  -3.800000 2.900000   11.50000 4.200000   9.372084 4.519671   28.80081   6.519555 -19.42872 7.932971 
1 1 1  -28   12    3 o 33.32668 4.080577  14.98537 2.048780   20.40000 4.000000   9.300000 4.200000   40.85269 4.275423   25.80067   6.951634 15.05202 8.161155 
1 1 1  -28   12    4 o 20.01316 4.133621  5.269492 1.474576   7.100000 3.000000   3.500000 2.900000   23.12449 5.701039   16.90183   5.987106 6.222662 8.267241 
1 1 1  -28   12    5 o 25.11582 4.086949  8.858333 1.750000   12.40000 3.000000   3.900000 4.200000   31.91304 4.104807   18.31860   7.068463 13.59444 8.173898 
1 1 1  -28   12    6 o 26.99942 3.420546  9.127586 1.434483   5.900000 2.600000   13.10000 3.200000   21.23617 5.348927   32.76266   4.264916 -11.52650 6.841092 
1 1 1  -28   12    7 o 17.01393 3.947677  2.167647 1.676471   6.800000 3.000000  -3.700000 3.800000   22.66927 5.765320   11.35859   5.394228 11.31069 7.895354 
1 1 1  -28   12    8 o 15.57235 4.038914  1.713115 1.514754   5.500000 3.300000  -1.500000 2.800000   20.32845 6.372052   10.81626   4.964702 9.512189 8.077828 
1 1 1  -28   12    9 o 32.55523 3.640483  13.01169 1.870130   11.10000 3.200000   15.70000 4.500000   29.99386 4.658621   35.11661   5.595510 -5.122751 7.280967 
1 1 1  -28   12   10 o 24.05699 4.287332  7.778261 1.721739   5.100000 3.300000   10.70000 3.600000   19.59264 6.396292   28.52133   5.710718 -8.928688 8.574663 
1 1 1  -28   12   11 o 23.40809 4.401336  7.323529 1.663235   6.300000 2.900000   8.700000 3.900000   21.74493 5.739448   25.07125   6.674262 -3.326321 8.802671 
1 1 1  -28   12   12 o 12.02394 3.815911 -1.133333 1.571429  -2.800000 3.000000  0.7000000 3.300000   10.26833 4.851670   13.77955   5.891181 -3.511222 7.631822 
1 1 1  -28   12   13 o 16.51034 4.425639  2.264789 1.757746 -0.8000000 3.200000   6.000000 3.900000   12.14269 5.468157   20.87800   6.960199 -8.735309 8.851277 
1 1 1  -28   12   14 o 15.39037 4.424205  2.214493 1.707246   1.900000 3.100000   2.600000 3.800000   14.60566 5.930613   16.17509   6.566750 -1.569427 8.848411 
1 1 1  -28   12   15 f 19.35165 3.482495  4.771429 1.371429   8.200000 2.400000  0.2000000 3.200000   25.79635 4.062494   12.90695   5.657493 12.88940 6.964990 
1 1 1  -28   12   16 o 19.54206 4.751093  5.208000 1.872000   3.700000 3.900000   6.600000 3.600000   17.53042 6.798195   21.55370   6.638982 -4.023287 9.502186 
1 1 1  -28   12   17 o 14.60539 4.103435  1.554545 1.595455   3.600000 2.700000  -1.400000 3.900000   16.57554 5.784566   12.63524   5.821640 3.940304 8.206869 
1 1 1  -28   12   18 o 17.33798 4.874038  3.421348 2.217978   6.300000 4.200000  0.2000000 4.700000   20.16055 7.198318   14.51541   6.573370 5.645138 9.748075 
1 1 1  -27    1    1 o 127.6344 1.678288  186.3650 3.328467   185.2000 5.700000   188.0000 8.000000   127.1622 1.957296   128.1067   2.726829 -0.9444962 3.356577 
1 1 1  -27    1    2 o 99.58813 1.338534  113.1200 2.040000   111.2000 3.400000   116.0000 5.100000   98.53956 1.506635   100.6367   2.212858 -2.097137 2.677067 
1 1 1  -27    1    3 o 379.7065 3.585603  1652.805 19.93314   1652.100 31.70000   1654.000 53.70000   379.7155 3.645362   379.6974   6.175560 0.1806641E-01 7.171206 
1 1 1  -27    1    4 o 322.7941 3.190506  1203.008 14.93729   1227.300 23.70000   1161.600 40.40000   327.3107 3.161752   318.2775   5.542621 9.033203 6.381012 
1 1 1  -27    1    5 o 337.3805 4.054156  1304.903 22.14447   1343.300 45.00000   1267.700 43.60000   342.2652 5.741025   332.4958   5.725851 9.769440 8.108313 
1 1 1  -27    1    6 o 377.0949 4.487148  1631.015 27.39854   1633.000 54.40000   1629.000 55.20000   377.3311 6.295295   376.8587   6.395878 0.4723511 8.974297 
1 1 1  -27    1    7 o 379.3280 4.437575  1650.466 27.24917   1590.100 54.20000   1711.500 54.80000   372.3439 6.356158   386.3121   6.194154 -13.96814 8.875150 
1 1 1  -27    1    8 o 194.4059 2.581823  432.9019 8.115692   430.1000 15.70000   435.9000 16.80000   193.7581 3.538176   195.0538   3.760925 -1.295654 5.163647 
1 1 1  -27    1    9 o 346.8286 3.265563  1371.430 16.36958   1405.000 45.40000   1352.500 25.60000   350.0533 5.663194   343.6039   3.253281 6.449310 6.531126 
1 1 1  -27    1   10 o 478.4862 4.524468  2625.427 31.30909   2629.500 86.10000   2623.100 49.20000   478.5612 7.856070   478.4112   4.490591 0.1500244 9.048936 
1 1 1  -27    1   11 o 161.0950 1.766921  297.2167 4.277778   297.4000 11.00000   297.1000 7.000000   161.1257 2.981039   161.0644   1.897747 0.6130981E-01 3.533842 
1 1 1  -27    1   12 o 226.3798 2.537350  585.0447 9.004878   601.9000 21.30000   572.7000 15.60000   229.1732 4.058405   223.5863   3.046626 5.586929 5.074700 
1 1 1  -27    1   13 o 374.3070 3.646420  1598.141 19.90862   1639.100 54.40000   1574.500 31.40000   377.9381 6.285182   370.6759   3.698920 7.262207 7.292841 
1 1 1  -27    1   14 o 342.2086 3.023341  1342.440 16.74269   1344.300 32.80000   1340.500 34.20000   342.4587 4.182205   341.9584   4.367095 0.5003662 6.046681 
1 1 1  -27    1   15 o 132.0194 1.450417  199.2419 3.087097   192.6000 5.800000   206.8000 6.600000   129.6737 1.953061   134.3651   2.144852 -4.691376 2.900834 
1 1 1  -27    1   16 o 163.9496 1.716129  307.4462 4.523077   300.8000 8.400000   315.2000 9.800000   162.0389 2.263600   165.8602   2.580022 -3.821320 3.432259 
1 1 1  -27    1   17 o 175.9042 1.799495  354.3810 5.119024   349.6000 9.900000   359.5000 10.60000   174.6792 2.474764   177.1292   2.613097 -2.449966 3.598990 
1 1 1  -27    1   18 o 56.74429 1.800583  36.84546 1.636364   36.30000 3.000000   37.50000 3.600000   56.28640 2.327327   57.20219   2.748081 -0.9157944 3.601167 
1 1 1  -27    1   19 o 65.13596 1.398673  49.82105 1.403509   56.40000 2.500000   41.40000 3.200000   70.16839 1.555744   60.10352   2.324823 10.06487 2.797345 
1 1 1  -27    1   20 o 65.53465 1.537259  49.77500 1.575000   53.10000 2.800000   45.50000 3.600000   68.07446 1.796030   62.99485   2.495383 5.079605 3.074518 
1 1 1  -27    1   21 o 101.3401 1.729871  117.8255 2.571818   117.9000 4.100000   117.7000 6.900000   101.4252 1.765135   101.2550   2.975585 0.1701813 3.459741 
1 1 1  -27    1   22 o 161.7159 2.073812  298.6928 4.821429   293.8000 7.500000   307.5000 13.50000   160.0317 2.046421   163.4001   3.607624 -3.368347 4.147624 
1 1 1  -27    1   23 o 87.85922 1.894053  89.19346 2.663551   94.10000 5.000000   83.60000 5.700000   90.49306 2.412651   85.22539   2.920422 5.267677 3.788106 
1 1 1  -27    1   24 o 74.76208 1.795007  62.55518 2.071265   54.70000 3.400000   74.80000 5.300000   68.98124 2.152225   80.54292   2.873348 -11.56168 3.590014 
1 1 1  -27    1   25 o 60.61294 1.881552  42.69452 1.808219   45.00000 3.300000   39.90000 4.000000   62.49657 2.305671   58.72931   2.974026 3.767269 3.763104 
1 1 1  -27    1   26 o 37.01550 3.776082  17.55063 1.835443   19.90000 2.900000   13.50000 5.000000   41.39230 3.059273   32.63871   6.904783 8.753586 7.552164 
1 1 1  -27    1   27 o 22.97275 4.208419  6.898592 1.478873   8.200000 2.100000   3.800000 5.000000   26.38769 3.475023   19.55781   7.665988 6.829880 8.416838 
1 1 1  -27    1   28 o 53.24496 1.943831  32.96716 1.644776   30.50000 2.900000   36.20000 3.800000   51.08816 2.478663   55.40176   2.995020 -4.313599 3.887662 
1 1 1  -27    1   29 o 35.46675 3.300975  17.04615 1.578462   21.20000 2.700000   11.20000 3.800000   42.28114 2.788411   28.65236   5.984189 13.62878 6.601951 
1 1 1  -27    1   30 o 54.88486 2.343979  36.16585 1.971951   35.20000 3.300000   37.60000 4.900000   54.49990 2.643979   55.26982   3.871218 -0.7699242 4.687959 
1 1 1  -27    3    1 o 349.2605 3.502729  1412.183 18.01610   1451.300 29.10000   1348.600 47.30000   355.8310 3.570992   342.6899   6.026977 13.14108 7.005457 
1 1 1  -27    3    2 o 210.1600 2.196503  508.1056 6.698611   513.7000 10.60000   498.5000 18.20000   211.7726 2.185626   208.5474   3.810713 3.225143 4.393005 
1 1 1  -27    3    3 o 140.5573 1.709222  226.2396 3.385235   226.1000 5.200000   226.5000 9.700000   140.5084 1.615998   140.6062   3.012360 -0.9786987E-01 3.418445 
1 1 1  -27    3    4 o 219.1126 2.412663  548.1122 8.091989   539.9000 13.50000   560.4000 20.20000   217.0969 2.715312   221.1283   3.988841 -4.031387 4.825326 
1 1 1  -27    3    5 o 132.2875 1.380572  200.6661 2.942373   204.7000 5.600000   196.2000 6.200000   133.6917 1.829040   130.8833   2.068460 2.808441 2.761143 
1 1 1  -27    3    6 f 252.1818 2.167004  728.2094 8.845480   757.2000 18.10000   700.5000 17.30000   257.0878 3.074233   247.2758   3.054950 9.811996 4.334008 
1 1 1  -27    3    7 o 271.7341 2.347046  845.4840 10.30751   859.8000 21.50000   832.3000 19.80000   273.9372 3.427103   269.5310   3.207718 4.406219 4.694091 
1 1 1  -27    3    8 o 186.8932 1.750744  399.4321 5.288208   418.7000 11.10000   381.9000 10.10000   191.1893 2.535123   182.5970   2.415280 8.592316 3.501489 
1 1 1  -27    3    9 o 171.0319 1.625400  334.9917 4.495000   333.3000 8.700000   336.8000 9.300000   170.5867 2.226967   171.4771   2.368190 -0.8903656 3.250801 
1 1 1  -27    3   10 o 292.7046 2.541662  980.0689 12.02012   1025.000 25.30000   939.4000 22.90000   299.0793 3.693804   286.3299   3.492275 12.74939 5.083323 
1 1 1  -27    3   11 o 430.9729 3.656905  2128.495 25.50441   2204.700 52.50000   2056.500 49.60000   438.4625 5.228373   423.4832   5.114288 14.97931 7.313810 
1 1 1  -27    3   12 o 176.2428 2.428033  355.8000 9.800000   355.8000 9.800000          ?        ?   176.2428 2.428033          ?          ?       ?       ? 
1 1 1  -27    3   13 o 358.4943 2.975522  1472.689 17.26194   1508.600 35.50000   1438.700 33.60000   362.7391 4.273401   354.2495   4.141614 8.489563 5.951044 
1 1 1  -27    3   14 o 386.4578 3.220439  1712.626 20.13213   1729.000 41.50000   1697.200 39.10000   388.2348 4.667597   384.6808   4.438292 3.553925 6.440877 
1 1 1  -27    3   15 o 170.8368 1.744055  334.1399 4.818653   343.0000 10.00000   325.9000 9.300000   173.0183 2.523757   168.6552   2.407814 4.363113 3.488111 
1 1 1  -27    3   16 o 211.5095 2.009009  512.5247 6.859636   515.3000 14.40000   510.0000 13.10000   212.0490 2.965281   210.9700   2.711380 1.079086 4.018019 
1 1 1  -27    3   17 o 202.2122 1.962767  468.7852 6.424124   476.0000 12.70000   461.4000 13.00000   203.7909 2.721189   200.6336   2.829303 3.157318 3.925535 
1 1 1  -27    3   18 o 231.9109 2.356324  616.5656 8.842938   634.2000 18.20000   599.9000 17.20000   235.1285 3.379915   228.6934   3.284087 6.435181 4.712648 
1 1 1  -27    3   19 o 173.6035 1.929767  345.5406 5.422120   350.4000 11.10000   340.9000 10.60000   174.7920 2.772944   172.4149   2.684546 2.377167 3.859534 
1 1 1  -27    3   20 o 201.1318 2.103118  464.2489 6.846715   471.3000 14.00000   457.5000 13.40000   202.6188 3.017088   199.6447   2.930804 2.974121 4.206237 
1 1 1  -27    3   21 o 54.69341 2.003635  35.10000 1.466667   36.50000 2.200000   32.30000 4.400000   56.42392 1.702547   52.96291   3.627609 3.461006 4.007271 
1 1 1  -27    3   22 o 18.81728 4.122266  3.855556 1.507936   5.800000 2.500000  0.9000000 3.800000   21.91949 5.079565   15.71507   6.493869 6.204428 8.244532 
1 1 1  -27    3   23 o 114.6830 1.728883  151.6242 2.893548   152.7000 4.600000   149.8000 7.800000   115.3537 1.741270   114.0123   2.987327 1.341393 3.457765 
1 1 1  -27    3   24 o 58.25696 1.595471  39.06500 1.498333   44.80000 3.100000   33.70000 2.900000   62.40736 2.169030   54.10656   2.340388 8.300800 3.190941 
1 1 1  -27    3   25 o 29.96827 3.851133  11.81739 1.707246   16.40000 3.100000   6.200000 3.800000   37.51709 3.608048   22.41945   6.804916 15.09763 7.702265 
1 1 1  -27    3   26 o 85.48695 1.889029  82.06667 2.266667   75.90000 3.400000   94.40000 6.800000   81.14607 1.829579   89.82784   3.305504 -8.681763 3.778057 
1 1 1  -27    3   27 o 71.19537 2.036777  60.40000 2.160000   64.80000 3.600000   53.80000 5.400000   74.82998 2.100712   67.56076   3.490108 7.269218 4.073555 
1 1 1  -27    3   28 o 11.95121 3.604164 -0.9561403 1.414035   2.100000 2.600000  -4.600000 3.100000   14.46991 5.567577   9.432521   4.578437 5.037387 7.208329 
1 1 1  -27    3   29 o 62.07802 1.997917  46.77013 1.870130   51.30000 3.200000   40.40000 4.500000   66.26308 2.108716   57.89296   3.394114 8.370125 3.995835 
1 1 1  -27    3   30 o 18.59726 4.541524  4.923189 1.724638   3.100000 3.400000   6.800000 3.500000   15.93296 6.297322   21.26156   6.545648 -5.328604 9.083049 
1 1 1  -27    5    1 o 341.8685 3.003800  1340.443 16.60842   1352.100 34.30000   1329.500 32.20000   343.2917 4.362853   340.4452   4.129984 2.846466 6.007599 
1 1 1  -27    5    2 o 85.01557 1.686976  81.87692 2.129670   79.00000 3.400000   86.70000 5.700000   83.04898 1.787658   86.98216   2.861438 -3.933182 3.373951 
1 1 1  -27    5    3 o 301.9603 2.797781  1046.800 13.61905   1066.800 26.00000   1024.800 28.60000   305.0194 3.722079   298.9013   4.178091 6.118073 5.595562 
1 1 1  -27    5    4 o 137.3847 1.641096  216.2822 3.649315   218.6000 7.200000   213.9000 7.400000   138.1327 2.276019   136.6368   2.364851 1.495880 3.282192 
1 1 1  -27    5    5 o 58.70795 1.502949  39.52456 1.424561   35.30000 2.800000   43.90000 2.900000   55.51015 2.202548   61.90576   2.045534 -6.395615 3.005898 
1 1 1  -27    5    6 o 379.9109 3.308424  1656.022 20.34558   1664.200 40.10000   1647.600 41.30000   380.8757 4.597278   378.9461   4.758962 1.929565 6.616849 
1 1 1  -27    5    7 o 300.8522 2.698971  1037.301 13.14316   1013.800 25.70000   1061.900 26.90000   297.3701 3.773771   304.3343   3.859589 -6.964142 5.397942 
1 1 1  -27    5    8 f 215.7920 2.018064  533.6794 7.048582   539.2000 13.90000   528.0000 14.30000   216.9273 2.797952   214.6567   2.908917 2.270599 4.036129 
1 1 1  -27    5    9 o 104.9842 1.337879  125.7923 2.261539   133.6000 4.900000   119.1000 4.200000   107.9971 1.981179   101.9713   1.798502 6.025772 2.675758 
1 1 1  -27    5   10 o 169.8372 2.571028  330.5000 10.00000   330.5000 10.00000          ?        ?   169.8372 2.571028          ?          ?       ?       ? 
1 1 1  -27    5   11 o 72.61018 1.400668  59.46061 1.612121   52.80000 2.800000   68.50000 3.800000   67.89383 1.800808   77.32655   2.145827 -9.432716 2.801336 
1 1 1  -27    5   12 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -27    5   13 o 108.8439 1.885530  135.7000 4.700000   135.7000 4.700000          ?        ?   108.8439 1.885530          ?          ?       ?       ? 
1 1 1  -27    5   14 o 64.05164 1.373838  46.98948 1.424561   46.40000 2.800000   47.60000 2.900000   63.64309 1.921084   64.46018   1.964474 -0.8170891 2.747676 
1 1 1  -27    5   15 o 94.55588 1.390337  102.2729 2.110588   104.6000 4.600000   100.3000 3.900000   95.54416 2.102294   93.56760   1.820031 1.976555 2.780675 
1 1 1  -27    5   16 o 180.6758 1.796175  374.1476 5.238095   373.1000 10.00000   375.3000 11.00000   180.4193 2.420231   180.9323   2.654706 -0.5129852 3.592350 
1 1 1  -27    5   17 o 134.2154 1.715063  206.6255 3.723490   202.8000 7.600000   210.3000 7.300000   132.9919 2.495331   135.4389   2.353528 -2.446945 3.430126 
1 1 1  -27    5   18 o 232.4295 2.305523  619.6438 8.648991   637.1000 18.30000   604.0000 16.40000   235.5009 3.393112   229.3580   3.122264 6.142944 4.611046 
1 1 1  -27    5   19 o 97.06740 1.482746  108.2774 2.324731   101.0000 4.700000   115.4000 4.600000   93.82664 2.187315   100.3082   2.002448 -6.481506 2.965492 
1 1 1  -27    5   20 o 156.4987 1.667782  281.3024 4.223669   284.2000 8.300000   278.3000 8.600000   157.3297 2.303600   155.6678   2.412345 1.661957 3.335563 
1 1 1  -27    5   21 o 95.22340 1.655507  104.2314 2.546078   103.4000 5.300000   105.0000 4.900000   94.84328 2.440108   95.60352   2.238009 -0.7602386 3.311014 
1 1 1  -27    5   22 f 84.03072 1.432564  80.98975 1.944872   85.30000 4.100000   77.10000 3.700000   86.14562 2.078214   81.91582   1.972303 4.229797 2.865127 
1 1 1  -27    5   23 o 69.81923 1.647334  56.36216 1.837838   58.20000 3.400000   54.20000 4.000000   71.10654 2.087897   68.53191   2.548630 2.574631 3.294667 
1 1 1  -27    5   24 o 108.9074 1.772680  137.0232 3.123200   146.7000 6.400000   127.8000 6.100000   112.6718 2.480300   105.1430   2.533314 7.528831 3.545359 
1 1 1  -27    5   25 o 43.34749 2.103053  21.95932 1.474576   21.40000 3.000000   22.50000 2.900000   42.77876 3.062195   43.91622   2.883452 -1.137463 4.206107 
1 1 1  -27    5   26 o 44.41753 2.446685  23.31000 1.727143   23.00000 3.100000   23.70000 3.900000   44.24168 3.059636   44.59338   3.818862 -0.3516922 4.893371 
1 1 1  -27    5   27 o 27.67133 4.282112  11.36667 1.733333   14.20000 2.600000   5.700000 5.200000   34.51261 3.289540   20.83005   7.907266 13.68256 8.564223 
1 1 1  -27    5   28 o 23.78625 4.182368  8.074648 1.554930   9.500000 2.300000   5.100000 4.800000   27.99194 3.587852   19.58056   7.556197 8.411385 8.364736 
1 1 1  -27    5   29 o 18.07658 4.010050  3.802740 1.726027   7.600000 2.800000  -2.300000 4.500000   23.43869 5.336010   12.71446   5.987402 10.72423 8.020100 
1 1 1  -27    7    1 o 25.30123 3.207627  7.857143 1.200000   9.400000 2.100000   5.800000 2.800000   28.61154 3.204924   21.99092   5.557332 6.620619 6.415254 
1 1 1  -27    7    2 o 47.75657 2.169441  26.40606 1.625758   27.90000 2.900000   24.50000 3.700000   49.32328 2.567354   46.18985   3.497799 3.133434 4.338883 
1 1 1  -27    7    3 o 103.0501 1.647984  121.6500 2.746364   124.5000 5.700000   119.0000 5.300000   104.2111 2.388364   101.8890   2.271372 2.322121 3.295969 
1 1 1  -27    7    4 o 140.7478 1.634219  226.9772 3.723490   233.2000 7.600000   221.0000 7.300000   142.6375 2.326589   138.8581   2.295575 3.779373 3.268437 
1 1 1  -27    7    5 o 226.9290 2.157271  590.7470 7.924921   575.8000 15.90000   605.6000 15.80000   224.0608 3.098638   229.7972   3.002286 -5.736374 4.314543 
1 1 1  -27    7    6 o 41.71124 2.054148  19.96909 1.352727   19.80000 3.100000   20.10000 2.400000   41.54699 3.258081   41.87548   2.502598 -0.3284988 4.108295 
1 1 1  -27    7    7 o 159.8794 1.729028  292.4877 4.458100   302.2000 9.500000   283.9000 8.400000   162.3690 2.554820   157.3899   2.330462 4.979034 3.458057 
1 1 1  -27    7    8 o 115.3815 1.661699  152.7573 3.099194   146.0000 6.300000   159.3000 6.100000   112.8632 2.437406   117.8999   2.259208 -5.036636 3.323397 
1 1 1  -27    7    9 o 80.35532 1.556540  73.95926 2.022222   72.90000 3.900000   75.10000 4.200000   79.75996 2.135106   80.95068   2.265523 -1.190720 3.113081 
1 1 1  -27    7   10 o 64.78857 1.715697  47.92916 1.787500   45.50000 3.300000   50.80000 3.900000   63.00800 2.286957   66.56914   2.558182 -3.561142 3.431394 
1 1 1  -27    7   11 o 93.91507 1.578348  101.0125 2.395833   103.2000 5.000000   99.00000 4.600000   94.88783 2.300908   92.94231   2.161146 1.945518 3.156696 
1 1 1  -27    7   12 o 60.83600 1.827409  42.37500 1.794444   41.10000 3.400000   43.80000 3.800000   59.87182 2.479683   61.80019   2.684933 -1.928368 3.654818 
1 1 1  -27    7   13 o 159.7860 2.645048  293.5773 6.798535   289.7000 14.50000   297.0000 12.80000   158.7551 3.988227   160.8168   3.475507 -2.061676 5.290095 
1 1 1  -27    7   14 o 91.13295 1.609336  95.22737 2.374737   97.40000 4.800000   93.10000 4.700000   92.16172 2.274209   90.10419   2.277679 2.057533 3.218672 
1 1 1  -27    7   15 o 134.5126 1.710137  207.6013 3.724832   207.4000 7.500000   207.8000 7.400000   134.4459 2.435867   134.5793   2.401005 -0.1334686 3.420273 
1 1 1  -27    7   16 o 118.9107 1.481319  162.3228 2.849123   158.1000 5.800000   166.4000 5.600000   117.3828 2.157563   120.4387   2.030307 -3.055954 2.962638 
1 1 1  -27    7   17 o 50.03284 1.797523  28.43793 1.406897   26.70000 2.400000   30.90000 3.400000   48.22887 2.172921   51.83680   2.864049 -3.607937 3.595047 
1 1 1  -27    7   18 o 113.5043 1.582560  148.0897 2.886207   149.3000 5.400000   146.7000 6.200000   114.0296 2.067836   112.9791   2.396256 1.050446 3.165121 
1 1 1  -27    7   19 o 45.16698 2.120062  23.41936 1.535484   24.90000 3.400000   22.20000 2.800000   46.44033 3.196858   43.89364   2.785455 2.546688 4.240125 
1 1 1  -27    7   20 o 112.7976 1.546790  146.3602 2.824779   147.5000 5.600000   145.2000 5.700000   113.2473 2.159235   112.3479   2.215386 0.8993683 3.093579 
1 1 1  -27    7   21 f 47.08044 2.328117  25.74084 1.774648   25.10000 3.500000   26.40000 3.600000   46.48712 3.287571   47.67377   3.297332 -1.186649 4.656235 
1 1 1  -27    7   22 f 43.42786 2.131656  22.16780 1.474576   26.10000 2.900000   18.10000 3.000000   47.46060 2.668115   39.39513   3.325205 8.065472 4.263311 
1 1 1  -27    7   23 o 63.93948 1.811338  47.52134 1.874667   49.70000 3.800000   45.40000 3.700000   65.39478 2.537349   62.48417   2.585660 2.910610 3.622675 
1 1 1  -27    7   24 o 72.63186 1.784239  60.90952 2.070238   55.80000 3.700000   67.40000 4.700000   69.29539 2.331509   75.96832   2.701500 -6.672928 3.568478 
1 1 1  -27    7   25 o 38.72119 2.915688  18.26164 1.824658   19.10000 3.600000   17.40000 3.700000   39.71280 3.958327   37.72959   4.282125 1.983212 5.831376 
1 1 1  -27    7   26 o 18.40358 4.572963  4.161644 1.824658   7.000000 3.700000   1.400000 3.600000   22.12716 6.714465   14.68001   6.209984 7.447146 9.145926 
1 1 1  -27    7   27 o 51.86648 2.516848  33.40976 2.006098   35.80000 3.500000   30.20000 4.700000   54.73091 2.792384   49.00205   4.188160 5.728859 5.033696 
1 1 1  -27    9    1 o 24.85152 3.960761  7.773134 1.656716   11.40000 3.000000   3.300000 3.700000   31.33775 4.180163   18.36530   6.728800 12.97245 7.921522 
1 1 1  -27    9    2 o 58.60234 1.834629  39.77391 1.721739   43.60000 3.300000   35.60000 3.600000   61.59402 2.339457   55.61067   2.826728 5.983349 3.669258 
1 1 1  -27    9    3 o 74.15543 1.667756  63.09500 1.988750   61.80000 3.700000   64.60000 4.300000   73.35082 2.202604   74.96002   2.504831 -1.609200 3.335512 
1 1 1  -27    9    4 o 63.58670 1.878647  46.65844 1.924675   51.10000 3.800000   42.10000 3.900000   66.68033 2.488431   60.49308   2.815131 6.187252 3.757293 
1 1 1  -27    9    5 o 112.0401 1.736011  144.1214 3.146825   140.2000 6.100000   148.3000 6.500000   110.4736 2.411077   113.6066   2.498328 -3.133003 3.472022 
1 1 1  -27    9    6 o 33.00382 3.083179  13.20820 1.514754   16.10000 2.800000   9.800000 3.300000   37.39046 3.269918   28.61718   5.227964 8.773281 6.166358 
1 1 1  -27    9    7 o 110.9130 1.615273  141.2784 2.899138   139.6000 5.900000   142.9000 5.700000   110.2582 2.336581   111.5678   2.230878 -1.309570 3.230546 
1 1 1  -27    9    8 o 96.45250 1.745109  106.6560 2.713762   103.1000 5.100000   110.7000 5.800000   94.75189 2.350293   98.15311   2.580261 -3.401215 3.490218 
1 1 1  -27    9    9 o 38.54363 2.807817  17.10428 1.744286   14.70000 3.300000   19.80000 3.700000   35.67341 4.039327   41.41386   3.901178 -5.740448 5.615634 
1 1 1  -27    9   10 o 38.30079 2.147479  16.86038 1.320755   20.40000 2.800000   13.70000 2.500000   42.10891 2.903513   34.49266   3.164849 7.616241 4.294957 
1 1 1  -27    9   11 o 27.04152 3.331898  8.757143 1.398214   7.100000 2.900000   10.30000 2.700000   24.23114 5.367344   29.85189   3.949404 -5.620752 6.663796 
1 1 1  -27    9   12 o 66.03304 1.830007  50.05256 1.929487   49.20000 3.500000   51.10000 4.300000   65.43394 2.335633   66.63213   2.817893 -1.198189 3.660014 
1 1 1  -27    9   13 o 40.14954 2.323413  18.92542 1.471186   15.30000 3.100000   22.20000 2.800000   36.38315 3.720498   43.91594   2.784041 -7.532784 4.646825 
1 1 1  -27    9   14 o 78.40437 1.634453  70.70120 2.074699   70.80000 4.100000   70.60000 4.200000   78.46423 2.281665   78.34452   2.340886 0.1197128 3.268906 
1 1 1  -27    9   15 o 140.6360 1.778664  227.6111 4.044445   224.0000 7.800000   231.5000 8.400000   139.5005 2.441509   141.7714   2.587202 -2.270828 3.557328 
1 1 1  -27    9   16 o 18.28710 3.704774  3.809434 1.313208   6.300000 2.400000  0.8000000 2.900000   22.78168 4.753780   13.79252   5.683569 8.989168 7.409547 
1 1 1  -27    9   17 o 26.21399 3.990391  8.450000 1.643939   6.900000 3.100000   10.20000 3.500000   23.58282 5.783926   28.84517   5.499006 -5.262352 7.980782 
1 1 1  -27    9   18 o 50.91850 2.809510  29.80870 2.191304   27.50000 3.600000   33.40000 5.600000   48.63879 3.231911   53.19821   4.596537 -4.559418 5.619021 
1 1 1  -27    9   19 o 75.43529 2.078472  66.02475 2.483168   64.50000 4.400000   68.00000 5.700000   74.58089 2.576113   76.28968   3.262487 -1.708794 4.156943 
1 1 1  -27    9   20 o 24.35580 3.479185  7.398113 1.324528   7.300000 2.600000   7.500000 2.700000   24.20977 4.858366   24.50184   4.981485 -0.2920723 6.958370 
1 1 1  -27    9   21 o 59.77765 2.122730  41.98659 2.045122   42.70000 3.900000   41.20000 4.300000   60.39860 2.819535   59.15670   3.173980 1.241898 4.245460 
1 1 1  -27    9   22 o 35.33994 3.370228  15.77143 1.607143   16.20000 2.500000   15.00000 4.500000   37.02456 2.948423   33.65531   6.061397 3.369251 6.740455 
1 1 1  -27    9   23 o 39.64569 2.759192  17.66806 1.631944   11.80000 2.500000   28.70000 4.700000   31.22550 3.495992   48.06588   4.269732 -16.84038 5.518385 
1 1 1  -27    9   24 o 21.54843 4.654085  6.626760 1.771831   6.100000 3.400000   7.200000 3.700000   20.75293 6.461812   22.34392   6.699777 -1.590990 9.308170 
1 1 1  -27    9   25 o 20.83303 5.359443  6.492553 2.196809   3.700000 3.500000   11.20000 5.900000   16.71417 6.451694   24.95189   8.559798 -8.237720 10.71889 
1 1 1  -27   11    1 o 30.65005 3.615865  11.67971 1.724638   13.70000 3.400000   9.600000 3.500000   33.82825 4.388733   27.47185   5.747776 6.356401 7.231729 
1 1 1  -27   11    2 o 24.20346 4.493587  7.633333 1.858667   9.900000 3.400000   4.900000 4.100000   28.11828 5.476885   20.28865   7.125519 7.829630 8.987174 
1 1 1  -27   11    3 o 14.43660 4.109788  1.400000 1.474576   1.400000 3.000000   1.400000 2.900000   14.52074 5.855796   14.35245   5.768109 0.1682949 8.219576 
1 1 1  -27   11    4 o 31.25160 3.377505  11.68462 1.538462   11.30000 2.500000   12.30000 4.000000   31.07116 3.513357   31.43204   5.769444 -0.3608780 6.755010 
1 1 1  -27   11    5 o 46.55364 2.624524  25.41646 1.974684   24.10000 4.000000   26.70000 3.900000   45.32084 3.853911   47.78643   3.563688 -2.465591 5.249048 
1 1 1  -27   11    6 o 14.47714 3.893604 0.9446428 1.383929  -1.600000 2.500000   4.100000 3.100000   10.27172 4.706069   18.68255   6.204315 -8.410830 7.787209 
1 1 1  -27   11    7 o 76.10796 1.889459  67.10323 2.322581   65.40000 4.800000   68.70000 4.500000   75.13496 2.789580   77.08095   2.549207 -1.945984 3.778918 
1 1 1  -27   11    8 o 60.46436 1.710399  42.17612 1.671642   40.60000 3.200000   43.90000 3.500000   59.29676 2.356453   61.63197   2.479715 -2.335213 3.420797 
1 1 1  -27   11    9 o 59.02140 2.351746  41.57442 2.075581   45.40000 3.500000   36.00000 5.100000   62.67382 2.438493   55.36897   4.022012 7.304848 4.703492 
1 1 1  -27   11   10 o 23.01942 4.373355  6.644118 1.698529   4.800000 3.300000   8.600000 3.500000   19.88408 6.388535   26.15476   5.974240 -6.270681 8.746710 
1 1 1  -27   11   11 o 31.12255 4.105244  11.34286 1.571429   10.40000 2.200000   13.70000 5.500000   29.85702 3.217481   32.38808   7.553802 -2.531063 8.210488 
1 1 1  -27   11   12 o 49.24037 2.767565  29.81463 1.951220   33.60000 3.200000   23.90000 5.000000   53.81857 2.596316   44.66217   4.888436 9.156406 5.535130 
1 1 1  -27   11   13 o 27.03368 3.901257  9.200000 1.650000   8.700000 3.300000   9.700000 3.300000   26.22371 5.660765   27.84366   5.369821 -1.619949 7.802515 
1 1 1  -27   11   14 o 30.65273 3.815330  11.44595 1.816216   7.900000 3.200000   16.10000 4.200000   24.87956 5.733948   36.42590   5.034759 -11.54634 7.630659 
1 1 1  -27   11   15 o 20.94683 4.156426  5.467796 1.403390   5.000000 2.300000   6.200000 3.600000   19.94799 5.034404   21.94566   6.615005 -1.997671 8.312853 
1 1 1  -27   11   16 o 72.29866 2.035521  61.94894 2.345745   69.80000 4.500000   53.40000 4.900000   77.32590 2.541132   67.27142   3.180572 10.05448 4.071043 
1 1 1  -27   11   17 o 25.41272 3.920671  8.523809 1.574603   10.20000 3.200000   6.900000 3.100000   28.14410 5.154771   22.68134   5.908889 5.462757 7.841341 
1 1 1  -27   11   18 o 20.76131 4.591743  5.898592 1.766197   4.400000 3.800000   7.200000 3.300000   18.57619 6.817145   22.94643   6.153288 -4.370243 9.183487 
1 1 1  -27   11   19 o 15.21155 4.049444 0.2227272 1.595455  -4.400000 2.700000   6.900000 3.900000   8.557827 4.180263   21.86527   6.936670 -13.30745 8.098888 
1 1 1  -27   11   20 o 38.25094 3.557649  19.32099 1.987654   22.00000 3.500000   15.80000 4.600000   42.55019 3.591751   33.95169   6.142214 8.598499 7.115299 
1 1 1  -27   11   21 o 18.89479 4.668575  5.018182 1.909091   7.200000 3.500000   2.400000 4.200000   21.96026 6.500695   15.82932   6.702487 6.130944 9.337150 
1 1 1  -27   13    1 o 11.49030 3.745582 -2.058462 1.593846  -4.600000 2.800000   1.300000 3.700000   8.590671 4.209076   14.38992   6.196872 -5.799251 7.491164 
1 1 1  -27   13    2 o 15.76387 4.491969  2.461972 1.757746   4.000000 3.900000   1.200000 3.200000   17.70611 6.817153   13.82162   5.851288 3.884484 8.983938 
1 1 1  -27   13    3 o 26.99001 5.151687  10.88333 2.273958   11.50000 3.700000   9.900000 5.900000   29.18888 5.739641   24.79115   8.556636 4.397724 10.30337 
1 1 1  -27   13    4 o 13.46068 4.185100 -1.400000 1.933333   2.100000 2.900000  -8.400000 5.800000   14.62866 5.805071   12.29269   6.030042 2.335976 8.370200 
1 1 1  -27   13    5 o 23.72877 5.354397  8.265656 2.232323   8.300000 3.400000   8.200000 6.500000   24.49819 6.087080   22.95935   8.810547 1.538839 10.70879 
1 1 1  -27   13    6 o 17.82104 4.418754  3.892064 1.431746   2.600000 2.200000   6.300000 4.100000   14.68302 5.213247   20.95905   7.136077 -6.276037 8.837508 
1 1 1  -27   13    7 f 33.74212 3.774689  14.72500 1.980000   10.90000 3.600000   19.40000 4.400000   28.44190 5.725076   39.04232   4.921038 -10.60042 7.549378 
1 1 1  -27   13    8 o 27.18729 4.406075  10.26842 1.894737   10.60000 3.600000   9.900000 4.000000   27.97705 5.808799   26.39753   6.626600 1.579519 8.812149 
1 1 1  -27   13    9 o 15.60934 4.494211  2.149315 1.821918   3.300000 3.500000  0.9000000 3.800000   16.75821 6.456445   14.46047   6.253484 2.297734 8.988422 
1 1 1  -27   13   10 o 14.96099 4.600037 0.1476746 2.131395  -2.800000 3.900000   3.700000 4.700000   11.85976 5.581583   18.06223   7.313502 -6.202470 9.200074 
1 1 1  -27   13   11 o 11.11322 3.619564 -1.972131 1.514754  -3.900000 2.800000  0.3000000 3.300000   9.056055 4.385188   13.17039   5.759782 -4.114336 7.239128 
1 1 1  -27   13   12 o 16.09059 4.407800  2.782353 1.694118   1.300000 3.600000   4.100000 3.200000   14.53252 6.181565   17.64866   6.285146 -3.116140 8.815600 
1 1 1  -27   13   13 o 17.72601 4.893683  3.907408 1.972839   2.900000 3.400000   5.300000 4.700000   15.99351 6.304915   19.45851   7.486026 -3.464998 9.787366 
1 1 1  -27   13   14 o 14.53075 4.512998 0.7607143 2.089286   2.200000 3.900000 -0.9000000 4.500000   15.42658 6.491248   13.63492   6.271547 1.791663 9.025996 
1 1 1  -26    0    1 o 52.88923 1.405774  32.10000 1.700000   32.10000 1.700000   32.10000 1.700000   52.88923 1.405774   52.88923   1.405774 -0.000000 0.000000 
1 1 1  -26    0    2 o 387.5723 4.507953  1721.500 40.00000   1721.500 40.00000   1721.500 40.00000   387.5723 4.507953   387.5723   4.507953 0.000000 0.000000 
1 1 1  -26    0    3 o 470.3140 5.302886  2535.200 57.10000   2535.200 57.10000   2535.200 57.10000   470.3140 5.302886   470.3140   5.302886 0.000000 0.000000 
1 1 1  -26    0    4 o 498.0800 5.559705  2843.400 63.40000   2843.400 63.40000   2843.400 63.40000   498.0800 5.559705   498.0800   5.559705 -0.000000 0.000000 
1 1 1  -26    0    5 o 161.7641 2.025220  299.8000 7.500000   299.8000 7.500000   299.8000 7.500000   161.7641 2.025220   161.7641   2.025220 -0.000000 0.000000 
1 1 1  -26    0    6 o 510.5398 5.714906  2987.600 66.80000   2987.600 66.80000   2987.600 66.80000   510.5398 5.714906   510.5398   5.714906 0.000000 0.000000 
1 1 1  -26    0    7 o 580.3335 6.434998  3860.900 85.50000   3860.900 85.50000   3860.900 85.50000   580.3335 6.434998   580.3335   6.434998 -0.000000 0.000000 
1 1 1  -26    0    8 o 221.7497 2.738045  563.4000 13.90000   563.4000 13.90000   563.4000 13.90000   221.7497 2.738045   221.7497   2.738045 -0.000000 0.000000 
1 1 1  -26    0    9 o 13.73579 3.298918  2.500000 0.9000000   2.500000 0.9000000   2.500000 0.9000000   13.73579 3.298918   13.73579   3.298918 0.000000 0.000000 
1 1 1  -26    0   10 o 255.7081 3.160213  749.2000 18.50000   749.2000 18.50000   749.2000 18.50000   255.7081 3.160213   255.7081   3.160213 0.000000 0.000000 
1 1 1  -26    0   11 o 371.0752 4.449491  1578.000 37.80000   1578.000 37.80000   1578.000 37.80000   371.0752 4.449491   371.0752   4.449491 0.000000 0.000000 
1 1 1  -26    0   12 o 87.91782 1.590499  88.60000 3.200000   88.60000 3.200000   88.60000 3.200000   87.91782 1.590499   87.91782   1.590499 -0.000000 0.000000 
1 1 1  -26    0   13 o 421.8841 5.062864  2040.200 48.90000   2040.200 48.90000   2040.200 48.90000   421.8841 5.062864   421.8841   5.062864 0.000000 0.000000 
1 1 1  -26    0   14 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -26    0   15 o 63.47595 2.138012  46.30000 3.100000   46.30000 3.100000   46.30000 3.100000   63.47595 2.138012   63.47595   2.138012 -0.000000 0.000000 
1 1 1  -26    0   16 o 62.80231 1.951067  45.30000 2.800000   45.30000 2.800000   45.30000 2.800000   62.80231 1.951067   62.80231   1.951067 0.000000 0.000000 
1 1 1  -26    0   17 o 227.0505 3.059088  590.9000 15.90000   590.9000 15.90000   590.9000 15.90000   227.0505 3.059088   227.0505   3.059088 -0.000000 0.000000 
1 1 1  -26    0   18 o 380.4177 4.845630  1659.700 42.20000   1659.700 42.20000   1659.700 42.20000   380.4177 4.845630   380.4177   4.845630 -0.000000 0.000000 
1 1 1  -26    0   19 o 172.1087 2.639979  339.6000 10.40000   339.6000 10.40000   339.6000 10.40000   172.1087 2.639979   172.1087   2.639979 -0.000000 0.000000 
1 1 1  -26    0   20 o 79.68232 2.195756  72.90000 4.000000   72.90000 4.000000   72.90000 4.000000   79.68232 2.195756   79.68232   2.195756 0.000000 0.000000 
1 1 1  -26    0   21 o 277.8754 3.898827  886.4000 24.80000   886.4000 24.80000   886.4000 24.80000   277.8754 3.898827   277.8754   3.898827 0.000000 0.000000 
1 1 1  -26    0   22 o 57.98388 2.190989  38.70000 2.900000   38.70000 2.900000   38.70000 2.900000   57.98388 2.190989   57.98388   2.190989 -0.000000 0.000000 
1 1 1  -26    0   23 o 104.5867 2.256908  125.6000 5.400000   125.6000 5.400000   125.6000 5.400000   104.5867 2.256908   104.5867   2.256908 -0.000000 0.000000 
1 1 1  -26    0   24 o 9.904715 6.047944  1.000000 2.600000   1.000000 2.600000   1.000000 2.600000   9.904715 6.047944   9.904715   6.047944 -0.000000 0.000000 
1 1 1  -26    0   25 o 21.49210 6.906885  6.800000 3.000000   6.800000 3.000000   6.800000 3.000000   21.49210 6.906885   21.49210   6.906885 -0.000000 0.000000 
1 1 1  -26    0   26 o 82.40266 2.495738  78.30000 4.700000   78.30000 4.700000   78.30000 4.700000   82.40266 2.495738   82.40266   2.495738 -0.000000 0.000000 
1 1 1  -26    0   27 o 14.90394 7.019637  3.900000 2.700000   3.900000 2.700000   3.900000 2.700000   14.90394 7.019637   14.90394   7.019637 0.000000 0.000000 
1 1 1  -26    0   28 o 23.07204 6.133179  7.500000 2.800000   7.500000 2.800000   7.500000 2.800000   23.07204 6.133179   23.07204   6.133179 -0.000000 0.000000 
1 1 1  -26    0   29 o 88.25210 2.329147  90.40000 4.700000   90.40000 4.700000   90.40000 4.700000   88.25210 2.329147   88.25210   2.329147 -0.000000 0.000000 
1 1 1  -26    0   30 o 35.33555 4.098051  15.40000 3.200000   15.40000 3.200000   15.40000 3.200000   35.33555 4.098051   35.33555   4.098051 0.000000 0.000000 
1 1 1  -26    2    1 o 430.4534 4.026609  2133.667 25.58418   2159.100 41.20000   2092.000 67.50000   434.0288 4.144941   426.8779   6.904620 7.150848 8.053218 
1 1 1  -26    2    2 o 73.81522 1.128593  62.53462 1.205769   62.90000 1.900000   61.90000 3.300000   74.11336 1.119430   73.51709   1.960042 0.5962677 2.257185 
1 1 1  -26    2    3 o 76.62326 1.380231  66.57969 1.335938   65.60000 1.900000   68.90000 4.500000   75.68764 1.096146   77.55888   2.533499 -1.871231 2.760463 
1 1 1  -26    2    4 o 370.7212 3.639883  1584.568 19.20610   1607.100 29.90000   1544.100 53.70000   374.5382 3.485898   366.9041   6.390892 7.634155 7.279765 
1 1 1  -26    2    5 o 108.4387 1.429715  136.1714 2.384694   143.2000 4.100000   126.4000 5.700000   111.8239 1.600991   105.0536   2.369211 6.770340 2.859429 
1 1 1  -26    2    6 o 168.6870 2.480132  325.9133 6.772694   321.3000 13.30000   330.7000 13.80000   167.4718 3.467766   169.9021   3.546663 -2.430374 4.960264 
1 1 1  -26    2    7 o 650.4163 10.76172  4865.000 160.3000   4865.000 160.3000          ?        ?   650.4163 10.76172          ?          ?       ?       ? 
1 1 1  -26    2    8 o 97.04174 1.245067  109.1413 1.754667   103.0000 4.700000   112.8000 2.800000   94.83427 2.164075   99.24921   1.231887 -4.414932 2.490133 
1 1 1  -26    2    9 o 308.7794 2.600770  1092.603 12.99827   1110.000 25.70000   1074.800 26.30000   311.2701 3.605250   306.2887   3.749424 4.981476 5.201539 
1 1 1  -26    2   10 o 303.4880 2.630023  1055.238 12.92457   1036.000 25.70000   1074.700 26.00000   300.7049 3.731920   306.2711   3.706868 -5.566132 5.260047 
1 1 1  -26    2   11 o 251.5660 2.277704  724.8458 9.263612   720.6000 17.90000   729.4000 19.20000   250.8063 3.116407   252.3257   3.322611 -1.519363 4.555408 
1 1 1  -26    2   12 o 329.9007 2.832700  1247.117 15.10678   1244.800 29.20000   1249.600 31.30000   329.5920 3.868530   330.2094   4.138991 -0.6174622 5.665401 
1 1 1  -26    2   13 o 261.7769 2.389235  785.3358 10.12346   796.2000 20.00000   774.2000 20.50000   263.6137 3.312849   259.9401   3.443661 3.673676 4.778470 
1 1 1  -26    2   14 o 320.5220 2.735619  1176.737 14.18873   1206.400 29.20000   1148.700 27.60000   324.4447 3.929904   316.5994   3.806613 7.845337 5.471238 
1 1 1  -26    2   15 o 13.10824 3.374512  1.317500 0.9974999 -0.1000000 2.100000   2.600000 1.900000   10.99661 4.700414   15.21987   4.843081 -4.223264 6.749024 
1 1 1  -26    2   16 o 77.32391 1.338851  68.52985 1.674627   70.50000 3.300000   66.50000 3.400000   78.45370 1.836708   76.19413   1.948485 2.259575 2.677703 
1 1 1  -26    2   17 o 40.16498 1.964893  18.51961 1.274510   19.50000 2.500000   17.50000 2.600000   41.25273 2.646227   39.07722   2.905289 2.175503 3.929786 
1 1 1  -26    2   18 o 168.4462 2.109364  322.0873 4.954751   315.3000 7.500000   335.3000 14.60000   165.9028 1.974000   170.9896   3.728403 -5.086823 4.218728 
1 1 1  -26    2   19 o 150.1647 1.902180  258.3950 4.166481   258.1000 6.600000   258.9000 11.30000   150.0904 1.920130   150.2390   3.284244 -0.1485901 3.804361 
1 1 1  -26    2   20 o 103.6991 1.609367  122.1234 2.571963   117.1000 4.300000   129.6000 6.400000   101.0892 1.857391   106.3090   2.628753 -5.219765 3.218734 
1 1 1  -26    2   21 o 46.23032 2.027035  24.68500 1.485000   25.90000 2.700000   23.20000 3.300000   47.51632 2.481194   44.94433   3.206112 2.571995 4.054070 
1 1 1  -26    2   22 o 23.75078 3.391038  6.636000 1.152000   6.600000 1.800000   6.700000 3.200000   23.95020 3.281732   23.55136   5.935216 0.3988361 6.782076 
1 1 1  -26    2   23 o 101.7427 1.864758  118.4551 2.675424   117.1000 4.100000   121.0000 7.700000   101.0284 1.772067   102.4569   3.281625 -1.428535 3.729515 
1 1 1  -26    2   24 o 35.08282 3.237850  14.43380 1.673239   14.70000 2.700000   14.00000 4.400000   35.66087 3.306066   34.50477   5.568180 1.156105 6.475701 
1 1 1  -26    2   25 o 24.62757 4.112670  7.050769 1.486154   5.600000 2.300000   9.700000 4.200000   21.41389 4.807769   27.84126   6.673948 -6.427361 8.225341 
1 1 1  -26    2   26 o 40.17220 2.928871  19.17027 1.783784   19.90000 3.000000   18.10000 4.400000   41.35097 3.167928   38.99343   4.927208 2.357536 5.857743 
1 1 1  -26    2   27 o 50.98196 2.624259  31.68987 1.744304   33.50000 2.600000   28.00000 5.300000   53.80728 2.109949   48.15664   4.805730 5.650642 5.248517 
1 1 1  -26    2   28 o 29.31281 3.922305  11.55652 1.643478   13.20000 2.700000   9.000000 4.200000   33.21169 3.549870   25.41393   6.995451 7.797762 7.844610 
1 1 1  -26    2   29 o 42.04440 2.903228  20.49250 1.848750   15.20000 2.900000   29.80000 5.100000   35.39317 3.577818   48.69561   4.573198 -13.30244 5.806455 
1 1 1  -26    2   30 o 11.55284 3.663082 -0.9213116 1.475410  0.8000000 2.500000  -3.400000 3.600000   12.24586 5.177343   10.85981   5.183416 1.386042 7.326164 
1 1 1  -26    4    1 o 169.3847 1.686411  328.7249 4.624865   333.3000 9.200000   324.1000 9.300000   170.5709 2.355171   168.1984   2.414353 2.372498 3.372822 
1 1 1  -26    4    2 o 183.0606 1.746251  383.9623 5.173913   388.2000 10.20000   379.6000 10.50000   184.0874 2.419445   182.0338   2.518703 2.053619 3.492503 
1 1 1  -26    4    3 o 154.4648 1.558599  272.5192 3.883975   288.8000 8.300000   258.2000 7.300000   158.7871 2.282457   150.1426   2.123042 8.644485 3.117197 
1 1 1  -26    4    4 o 158.3826 1.500605  286.7364 3.839611   302.2000 8.100000   272.8000 7.300000   162.4333 2.177458   154.3319   2.065413 8.101395 3.001209 
1 1 1  -26    4    5 o 303.1106 2.633130  1052.618 12.92108   1069.100 26.30000   1036.700 25.40000   305.4403 3.759837   300.7808   3.687426 4.659485 5.266259 
1 1 1  -26    4    6 o 153.8278 1.635787  270.7393 4.067485   279.5000 8.500000   262.7000 7.800000   156.2103 2.376014   151.4452   2.248944 4.765030 3.271574 
1 1 1  -26    4    7 f 186.8952 1.718068  399.9519 5.198077   387.3000 10.20000   413.1000 10.60000   183.8824 2.422143   189.9080   2.437263 -6.025558 3.436135 
1 1 1  -26    4    8 o 221.0331 1.990420  559.1361 7.114386   577.0000 14.80000   542.6000 13.70000   224.4273 2.879557   217.6388   2.748678 6.788498 3.980839 
1 1 1  -26    4    9 o 407.7887 3.464042  1906.639 22.87497   1896.200 45.70000   1917.100 45.80000   406.6703 4.906971   408.9071   4.890807 -2.236816 6.928085 
1 1 1  -26    4   10 o 151.6009 1.588752  263.1743 3.897436   260.3000 7.600000   266.2000 8.000000   150.7523 2.201351   152.4495   2.291414 -1.697220 3.177503 
1 1 1  -26    4   11 o 470.2373 3.939073  2534.415 29.96667   2625.400 62.00000   2449.300 58.00000   478.3852 5.659182   462.0894   5.480771 16.29575 7.878147 
1 1 1  -26    4   12 o 345.5704 2.980149  1369.033 16.67047   1368.000 32.80000   1370.100 33.90000   345.4445 4.146058   345.6963   4.281981 -0.2518311 5.960298 
1 1 1  -26    4   13 o 80.78183 1.318241  74.62173 1.721739   70.70000 3.300000   78.90000 3.600000   78.56657 1.834070   82.99709   1.893997 -4.430519 2.636482 
1 1 1  -26    4   14 o 255.0323 3.218862  0.000000 0.000000          ?        ?   745.5000 18.80000          ?        ?   255.0323   3.218862       ?       ? 
1 1 1  -26    4   15 o 162.0028 2.452780  300.7000 9.100000   300.7000 9.100000          ?        ?   162.0028 2.452780          ?          ?       ?       ? 
1 1 1  -26    4   16 o 144.6743 1.547205  239.6793 3.623448   231.6000 7.100000   248.1000 7.400000   142.1856 2.180431   147.1629   2.195700 -4.977295 3.094411 
1 1 1  -26    4   17 o 205.3571 2.447881  481.3106 7.638750   471.9000 12.60000   495.8000 19.40000   202.8930 2.711710   207.8212   4.076164 -4.928207 4.895762 
1 1 1  -26    4   18 o 313.1742 4.196819  1126.500 30.10000   1126.500 30.10000          ?        ?   313.1742 4.196819          ?          ?       ?       ? 
1 1 1  -26    4   19 o 197.2759 1.997344  446.7647 6.372549   435.6000 13.00000   457.5000 12.50000   194.8448 2.913360   199.7070   2.733106 -4.862137 3.994688 
1 1 1  -26    4   20 o 138.3583 1.607006  219.4042 3.593750   224.3000 7.500000   214.9000 6.900000   139.8318 2.342044   136.8848   2.201068 2.946930 3.214012 
1 1 1  -26    4   21 o 108.8629 1.531313  135.8630 2.696296   131.0000 5.200000   141.1000 5.600000   106.8462 2.125122   110.8796   2.205343 -4.033363 3.062627 
1 1 1  -26    4   22 o 23.28983 4.080396  6.600000 1.550000   5.100000 3.100000   8.100000 3.100000   20.68660 6.116490   25.89307   5.402506 -5.206467 8.160792 
1 1 1  -26    4   23 o 97.00695 1.512559  108.2242 2.374737   105.9000 4.800000   110.5000 4.700000   95.96755 2.184020   98.04635   2.093178 -2.078796 3.025117 
1 1 1  -26    4   24 o 143.5142 1.875933  237.2735 4.014706   235.4000 6.500000   240.3000 10.50000   143.0409 1.984233   143.9875   3.184229 -0.9465637 3.751865 
1 1 1  -26    4   25 o 24.67180 4.364917  7.407143 1.607143   6.800000 2.500000   8.500000 4.500000   23.55590 4.797234   25.78770   7.293597 -2.231802 8.729835 
1 1 1  -26    4   26 o 38.14922 2.839733  17.62727 1.527273   18.50000 2.400000   16.10000 4.200000   39.87207 2.628343   36.42636   5.034695 3.445709 5.679466 
1 1 1  -26    4   27 o 88.37285 1.695596  91.49368 2.298947   93.30000 3.900000   88.90000 5.600000   89.74289 1.897598   87.00280   2.810570 2.740089 3.391192 
1 1 1  -26    4   28 o 39.31844 3.282765  18.70000 1.800000   17.10000 2.700000   21.90000 5.400000   37.83435 3.116142   40.80254   5.778914 -2.968197 6.565530 
1 1 1  -26    4   29 o 25.30371 3.859766  7.953031 1.553030   3.900000 2.500000   14.60000 4.100000   17.13778 5.565914   33.46964   5.348999 -16.33186 7.719533 
1 1 1  -26    6    1 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -26    6    2 o 139.7910 1.659858  223.8467 3.733333   224.7000 8.000000   223.1000 7.000000   140.0352 2.494551   139.5468   2.190373 0.4884949 3.319716 
1 1 1  -26    6    3 o 256.7567 2.429143  755.6688 10.09975   762.0000 20.30000   749.4000 20.10000   257.8267 3.438016   255.6866   3.432636 2.140091 4.858286 
1 1 1  -26    6    4 o 72.10629 1.433156  59.26717 1.665672   65.50000 3.600000   53.90000 3.100000   75.61651 2.078861   68.59606   1.973341 7.020447 2.866311 
1 1 1  -26    6    5 o 217.8356 2.134555  543.8299 7.514950   543.3000 14.50000   544.4000 15.60000   217.7325 2.907933   217.9387   3.125575 -0.2062073 4.269109 
1 1 1  -26    6    6 o 254.5432 2.480936  742.6550 10.21760   750.1000 21.00000   735.6000 19.90000   255.7784 3.585050   253.3079   3.430394 2.470444 4.961873 
1 1 1  -26    6    7 o 148.7500 1.598350  253.5000 3.850000   255.8000 7.700000   251.2000 7.700000   149.4251 2.250126   148.0748   2.270645 1.350327 3.196701 
1 1 1  -26    6    8 o 183.1783 2.693669  384.5000 11.30000   384.5000 11.30000          ?        ?   183.1783 2.693669          ?          ?       ?       ? 
1 1 1  -26    6    9 o 132.4950 1.670272  201.3629 3.566434   205.5000 6.800000   196.8000 7.500000   133.9322 2.216990   131.0578   2.498838 2.874359 3.340544 
1 1 1  -26    6   10 o 230.5162 2.204534  609.2000 8.221276   616.1000 16.10000   602.0000 16.80000   231.8562 3.032123   229.1761   3.200955 2.680069 4.409069 
1 1 1  -26    6   11 o 217.1976 2.154185  540.5238 7.568317   544.9000 15.60000   536.4000 14.70000   218.0465 3.124029   216.3487   2.966899 1.697876 4.308370 
1 1 1  -26    6   12 o 51.79065 1.647996  30.83455 1.370909   29.20000 2.900000   32.30000 2.600000   50.48229 2.508411   53.09901   2.138093 -2.616714 3.295993 
1 1 1  -26    6   13 o 21.40723 3.535051  5.688889 1.303704   8.500000 2.200000   1.600000 3.200000   27.22118 3.529030   15.59328   6.126360 11.62790 7.070102 
1 1 1  -26    6   14 o 145.5913 1.728087  242.0215 4.049080   257.3000 8.800000   229.0000 7.500000   149.8243 2.564721   141.3582   2.316754 8.466095 3.456174 
1 1 1  -26    6   15 f 76.32013 1.479467  66.71918 1.816438   66.30000 3.400000   67.20000 3.900000   76.06672 1.951749   76.57354   2.223953 -0.5068207 2.958934 
1 1 1  -26    6   16 o 56.90760 1.546890  37.02105 1.421053   32.90000 2.700000   41.60000 3.000000   53.57303 2.200682   60.24216   2.174505 -6.669132 3.093780 
1 1 1  -26    6   17 o 264.1136 2.473460  801.1461 10.55792   791.5000 20.30000   811.6000 22.00000   262.4888 3.376953   265.7384   3.614997 -3.249664 4.946920 
1 1 1  -26    6   18 o 185.6471 1.987625  395.6243 5.966527   387.3000 11.50000   404.6000 12.40000   183.6348 2.734529   187.6594   2.885301 -4.024567 3.975250 
1 1 1  -26    6   19 o 94.75394 1.681127  103.0388 2.563107   102.2000 4.800000   104.0000 5.500000   94.35732 2.221291   95.15057   2.524009 -0.7932587 3.362255 
1 1 1  -26    6   20 o 79.33789 1.699441  72.23103 2.151724   71.20000 3.900000   73.50000 4.800000   78.73534 2.162891   79.94044   2.621890 -1.205093 3.398883 
1 1 1  -26    6   21 o 76.76312 1.854383  67.17191 2.020225   65.50000 3.100000   70.30000 5.800000   75.52707 1.792251   77.99918   3.246966 -2.472107 3.708767 
1 1 1  -26    6   22 f 58.98697 1.831056  40.01714 1.744286   37.00000 3.300000   43.40000 3.700000   56.64302 2.543942   61.33093   2.634280 -4.687912 3.662113 
1 1 1  -26    6   23 o 21.34625 3.938323  5.731034 1.387931   7.000000 2.300000   3.800000 3.500000   24.07541 4.330750   18.61710   6.579223 5.458313 7.876647 
1 1 1  -26    6   24 o 21.92894 4.535695  6.065753 1.808219   8.100000 3.300000   3.600000 4.000000   25.29384 5.818107   18.56403   6.959868 6.729816 9.071390 
1 1 1  -26    6   25 o 31.14777 3.406502  11.84242 1.612121   11.80000 2.800000   11.90000 3.800000   31.55221 3.874966   30.74333   5.603718 0.8088837 6.813004 
1 1 1  -26    6   26 o 15.60553 4.245194  2.129412 1.580882   3.600000 2.500000 -0.4000000 4.300000   16.86850 5.570193   14.34256   6.407779 2.525943 8.490388 
1 1 1  -26    6   27 o 26.39055 3.961295  9.382090 1.674627   11.50000 3.300000   7.200000 3.400000   30.14042 4.780842   22.64068   6.317514 7.499741 7.922590 
1 1 1  -26    6   28 o 24.00614 4.661297  7.903704 1.935802   3.400000 3.200000   14.80000 4.900000   16.39062 6.207547   31.62166   6.955368 -15.23104 9.322595 
1 1 1  -26    8    1 o 74.03859 1.608646  62.88701 1.916883   62.70000 3.600000   63.10000 4.100000   73.93060 2.126268   74.14658   2.414529 -0.2159805 3.217292 
1 1 1  -26    8    2 o 25.71055 3.547802  7.847369 1.414035   8.500000 3.100000   7.300000 2.600000   26.67147 5.262115   24.74964   4.760016 1.921833 7.095605 
1 1 1  -26    8    3 o 175.2780 1.947713  352.4665 5.515837   350.5000 10.60000   354.6000 11.50000   174.7826 2.648180   175.7734   2.856831 -0.9907837 3.895425 
1 1 1  -26    8    4 o 136.0644 2.283089  214.9444 4.752551   200.1000 11.50000   225.4000 8.100000   131.9439 3.805821   140.1850   2.523036 -8.241089 4.566178 
1 1 1  -26    8    5 o 147.1758 1.845963  248.2409 4.394886   240.9000 8.500000   256.1000 9.100000   144.9293 2.560957   149.4224   2.659289 -4.493027 3.691926 
1 1 1  -26    8    6 o 31.04618 2.642467  11.04528 1.320755   9.300000 2.500000   13.00000 2.800000   28.44991 3.837063   33.64245   3.634211 -5.192545 5.284935 
1 1 1  -26    8    7 o 74.53958 1.574591  62.90000 1.778667   60.00000 2.900000   67.50000 4.600000   72.36154 1.749967   76.71763   2.618197 -4.356087 3.149181 
1 1 1  -26    8    8 o 172.4239 2.668193  339.9684 7.309764   355.6000 16.70000   327.8000 13.00000   175.8735 4.146253   168.9744   3.359404 6.899109 5.336385 
1 1 1  -26    8    9 o 35.65359 3.551685  14.60000 2.900000   14.60000 2.900000          ?        ?   35.65359 3.551685          ?          ?       ?       ? 
1 1 1  -26    8   10 o 129.6365 2.145645  191.9168 4.373184   186.1000 7.600000   199.8000 10.30000   127.3745 2.605378   131.8985   3.409864 -4.523972 4.291290 
1 1 1  -26    8   11 o 176.6490 2.215286  357.1549 6.263241   345.8000 11.40000   371.0000 13.90000   173.5817 2.867746   179.7164   3.377278 -6.134720 4.430572 
1 1 1  -26    8   12 o 112.1647 2.058157  144.0203 3.602703   141.8000 6.200000   147.1000 8.600000   111.1797 2.435039   113.1497   3.318829 -1.969994 4.116313 
1 1 1  -26    8   13 o 34.33499 2.920951  13.50769 1.615385   11.80000 3.000000   15.50000 3.500000   31.99945 4.093723   36.67052   4.167644 -4.671072 5.841902 
1 1 1  -26    8   14 o 67.61861 1.742223  52.41579 1.878947   51.70000 3.400000   53.30000 4.200000   67.12104 2.211872   68.11619   2.692394 -0.9951477 3.484446 
1 1 1  -26    8   15 o 112.1452 1.636250  144.9034 2.928814   139.1000 6.400000   149.8000 5.400000   110.0366 2.539701   114.2538   2.063776 -4.217247 3.272500 
1 1 1  -26    8   16 o 55.24612 1.876783  35.08508 1.665672   34.90000 3.100000   35.30000 3.600000   55.10574 2.456431   55.38651   2.838169 -0.2807617 3.753566 
1 1 1  -26    8   17 o 41.30949 2.356897  19.56825 1.565079   23.40000 3.400000   16.30000 2.900000   45.03684 3.296482   37.58213   3.369429 7.454712 4.713793 
1 1 1  -26    8   18 o 45.57256 1.999641  23.95593 1.474576   24.30000 2.900000   23.60000 3.000000   45.91335 2.758029   45.23178   2.896125 0.6815720 3.999283 
1 1 1  -26    8   19 o 90.10948 1.609330  93.03298 2.332979   86.40000 4.300000   100.9000 5.100000   86.64014 2.167150   93.57881   2.379755 -6.938667 3.218661 
1 1 1  -26    8   20 o 44.54078 2.119448  23.01148 1.524590   20.70000 3.000000   25.40000 3.100000   42.24572 3.100832   46.83583   2.890168 -4.590111 4.238895 
1 1 1  -26    8   21 o 75.64592 1.673737  66.20000 2.050000   67.50000 4.100000   64.90000 4.100000   76.39633 2.343425   74.89552   2.390384 1.500816 3.347473 
1 1 1  -26    8   22 o 39.72470 2.563797  18.58030 1.643939   17.50000 3.100000   19.80000 3.500000   38.53550 3.512695   40.91391   3.735397 -2.378410 5.127594 
1 1 1  -26    8   23 o 40.06434 2.390949  19.00323 1.548387   18.90000 3.200000   19.10000 3.000000   39.91182 3.500968   40.21686   3.257263 -0.3050385 4.781898 
1 1 1  -26    8   24 o 20.89028 4.097854  5.862295 1.504918   7.500000 2.700000   3.800000 3.400000   24.11093 5.051502   17.66964   6.453833 6.441296 8.195708 
1 1 1  -26    8   25 o 38.19722 2.914346  17.95556 1.794444   15.50000 3.400000   20.70000 3.800000   35.38998 4.195061   41.00445   4.046619 -5.614471 5.828693 
1 1 1  -26    8   26 o 31.43872 3.507730  12.74118 1.605882   11.90000 2.600000   14.10000 4.200000   31.09907 3.650612   31.77838   5.990802 -0.6793137 7.015460 
1 1 1  -26   10    1 o 67.55898 1.902372  52.79639 2.074699   56.60000 4.100000   48.90000 4.200000   70.05383 2.555593   65.06412   2.818691 4.989708 3.804744 
1 1 1  -26   10    2 o 66.47651 2.305862  51.07835 2.311340   51.00000 3.800000   51.20000 5.900000   66.54613 2.493449   66.40688   3.879526 0.1392517 4.611725 
1 1 1  -26   10    3 o 47.30088 2.663399  25.28537 1.990244   20.60000 3.400000   31.90000 4.800000   42.18652 3.519208   52.41524   3.998742 -10.22873 5.326797 
1 1 1  -26   10    4 f 80.82182 2.043151  75.52547 2.616038   76.90000 4.700000   73.80000 5.900000   81.72483 2.511213   79.91882   3.223612 1.806015 4.086302 
1 1 1  -26   10    5 o 54.17645 2.085011  33.84658 1.816438   33.90000 3.900000   33.80000 3.400000   54.19023 3.142558   54.16266   2.741060 0.2756500E-01 4.170022 
1 1 1  -26   10    6 o 64.12375 1.597103  46.95152 1.612121   45.00000 2.800000   49.60000 3.800000   62.59583 1.953225   65.65166   2.527421 -3.055824 3.194205 
1 1 1  -26   10    7 o 16.43354 4.245564  2.254688 1.560938   3.900000 2.700000   0.000000 3.700000   18.30824 5.767771   14.55886   6.231538 3.749380 8.491128 
1 1 1  -26   10    8 o 115.4806 1.484009  153.2135 2.774775   149.2000 5.500000   157.3000 5.600000   113.9528 2.107548   117.0085   2.089827 -3.055695 2.968019 
1 1 1  -26   10    9 o 40.15388 2.361588  18.95333 1.493333   15.70000 3.200000   21.80000 2.800000   36.81404 3.795563   43.49372   2.811067 -6.679680 4.723176 
1 1 1  -26   10   10 o 36.72683 2.876860  15.41177 1.627941   14.30000 2.700000   17.10000 4.100000   35.16888 3.352315   38.28478   4.676246 -3.115898 5.753720 
1 1 1  -26   10   11 o 24.65417 4.227487  7.569863 1.783562   10.50000 3.100000   3.600000 4.200000   30.01435 4.509957   19.29399   7.151703 10.72036 8.454973 
1 1 1  -26   10   12 o 40.49623 2.482962  19.01538 1.624615   18.00000 3.300000   20.00000 3.200000   39.41107 3.656246   41.58140   3.360397 -2.170330 4.965924 
1 1 1  -26   10   13 o 22.45687 4.150522  6.137097 1.543548   4.500000 2.900000   8.000000 3.300000   19.40675 5.955518   25.50700   5.782658 -6.100250 8.301044 
1 1 1  -26   10   14 o 57.26305 1.994440  37.67567 1.837838   32.30000 3.400000   44.00000 4.000000   52.84879 2.809206   61.67732   2.831876 -8.828529 3.988880 
1 1 1  -26   10   15 o 47.26102 2.117397  25.41077 1.593846   20.50000 2.800000   31.90000 3.700000   42.07389 2.905929   52.44814   3.080430 -10.37424 4.234793 
1 1 1  -26   10   16 o 43.27229 2.435168  21.86029 1.698529   18.90000 3.300000   25.00000 3.500000   40.21841 3.582851   46.32618   3.298992 -6.107769 4.870336 
1 1 1  -26   10   17 o 57.50764 1.771706  38.25000 1.643939   36.70000 3.100000   40.00000 3.500000   56.29738 2.404436   58.71789   2.602779 -2.420513 3.543412 
1 1 1  -26   10   18 o 34.58028 3.315459  14.44521 1.783562   14.70000 3.100000   14.10000 4.200000   35.22056 3.843307   33.94000   5.403524 1.280560 6.630919 
1 1 1  -26   10   19 o 38.44989 3.033983  18.02877 1.783562   19.60000 3.100000   15.90000 4.200000   40.80449 3.317366   36.09529   5.080874 4.709198 6.067965 
1 1 1  -26   10   20 o 20.92261 4.322495  5.883077 1.621538   7.600000 3.100000   4.000000 3.400000   23.90924 5.735226   17.93597   6.468618 5.973270 8.644989 
1 1 1  -26   10   21 o 37.02598 2.657285  16.34286 1.542857   10.90000 2.700000   23.60000 3.600000   29.85535 3.948947   44.19661   3.556750 -14.34126 5.314570 
1 1 1  -26   10   22 o 9.289604 3.176695 -4.843548 1.524194  -2.100000 2.700000  -8.400000 3.500000   9.986915 4.682258   8.592293   4.294417 1.394622 6.353389 
1 1 1  -26   10   23 o 17.81880 4.748536  4.228948 1.898684   3.100000 3.900000   5.300000 3.700000   16.47498 6.665126   19.16262   6.765387 -2.687635 9.497071 
1 1 1  -26   12    1 o 21.32959 4.524923  6.014474 1.888158   9.100000 3.500000   2.400000 4.100000   26.07833 5.986950   16.58085   6.786468 9.497478 9.049847 
1 1 1  -26   12    2 o 19.06477 4.459718  3.587013 1.924675   8.500000 3.900000  -1.200000 3.800000   25.05988 6.675700   13.06966   5.915351 11.99022 8.919436 
1 1 1  -26   12    3 o 15.02483 4.452928 0.6896104 1.898701   2.500000 3.400000  -1.600000 4.300000   16.27684 6.337620   13.77281   6.256903 2.504031 8.905856 
1 1 1  -26   12    4 o 15.89950 4.407230  1.159155 1.715493  -1.700000 2.900000   5.300000 4.200000   11.03865 5.061544   20.76034   7.216333 -9.721685 8.814460 
1 1 1  -26   12    5 o 23.55151 3.988640  6.814286 1.542857   11.10000 3.600000   3.600000 2.700000   29.75057 5.485924   17.35244   5.791515 12.39813 7.977281 
1 1 1  -26   12    6 o 26.62290 3.598260  8.660656 1.514754   7.100000 2.800000   10.50000 3.300000   23.74769 5.284622   29.49811   4.884942 -5.750423 7.196519 
1 1 1  -26   12    7 o 41.00399 3.240176  20.27250 1.755000   20.50000 2.600000   19.80000 5.400000   41.96583 2.705311   40.04215   5.888654 1.923676 6.480351 
1 1 1  -26   12    8 o 31.94227 2.712140  11.93393 1.383929   9.300000 2.500000   15.20000 3.100000   28.02278 3.895548   35.86177   3.774589 -7.838989 5.424280 
1 1 1  -26   12    9 o 24.89507 4.002203  7.412500 1.500000   5.200000 2.400000   11.10000 4.000000   20.32906 5.149321   29.46109   6.128215 -9.132032 8.004406 
1 1 1  -26   12   10 o 26.11914 3.989662  8.525714 1.737143   4.000000 3.200000   13.90000 3.800000   18.32709 6.302983   33.91119   4.893057 -15.58410 7.979323 
1 1 1  -26   12   11 o 15.48790 4.295267  2.044444 1.555556   1.200000 2.800000   3.100000 3.500000   13.77421 5.619622   17.20159   6.497469 -3.427375 8.590533 
1 1 1  -26   12   12 o 34.80463 2.706827  14.48689 1.524590   13.70000 3.000000   15.30000 3.100000   33.82637 3.872626   35.78288   3.782911 -1.956509 5.413653 
1 1 1  -26   12   13 o 32.44004 4.142278  14.08293 2.030488   16.70000 3.700000   10.90000 4.500000   36.92894 4.374965   27.95114   7.035165 8.977798 8.284556 
1 1 1  -26   12   14 o 17.03977 4.324835  3.514754 1.521312   3.200000 3.200000   3.800000 2.900000   16.68525 6.231056   17.39430   5.999227 -0.7090454 8.649670 
1 1 1  -26   12   15 o 43.45346 2.346050  22.60000 1.650000   21.80000 3.300000   23.40000 3.300000   42.64956 3.378618   44.25737   3.255877 -1.607811 4.692100 
1 1 1  -26   12   16 o 17.21417 4.757956  3.476623 1.898701   3.300000 3.400000   3.700000 4.300000   16.66554 6.377656   17.76280   7.062442 -1.097263 9.515912 
1 1 1  -26   12   17 o 46.63515 2.826273  26.41786 2.003572   28.30000 5.100000   25.20000 3.300000   47.38038 4.700146   45.88992   3.140049 1.490463 5.652546 
1 1 1  -26   12   18 o 39.08044 3.453337  18.95682 2.107955   25.10000 5.300000   14.90000 3.500000   43.78821 5.285163   34.37266   4.446257 9.415550 6.906674 
1 1 1  -26   12   19 f 19.04749 4.257247  1.635555 2.248889  -9.200000 4.600000   12.00000 4.400000   10.02388 4.996301   28.07110   6.894461 -18.04722 8.514494 
1 1 1  -25    1    1 o 419.7529 4.222791  2025.315 27.55084   2049.800 47.50000   1991.500 65.60000   422.8833 4.904704   416.6225   6.875445 6.260773 8.445582 
1 1 1  -25    1    2 o 128.3279 1.464149  190.0051 2.806780   194.8000 4.600000   182.5000 7.200000   130.4248 1.540059   126.2310   2.490612 4.193764 2.928298 
1 1 1  -25    1    3 o 185.2293 2.015881  391.9648 5.343348   389.4000 8.300000   396.6000 15.00000   184.3959 1.965471   186.0628   3.520232 -1.666977 4.031763 
1 1 1  -25    1    4 o 350.7965 3.315362  1414.005 17.01195   1424.800 27.10000   1395.800 45.70000   352.6708 3.355362   348.9222   5.719095 3.748657 6.630724 
1 1 1  -25    1    5 o 386.9220 4.476833  1716.663 28.04991   1709.500 56.20000   1723.800 56.00000   386.1141 6.355655   387.7299   6.306647 -1.615723 8.953667 
1 1 1  -25    1    6 o 515.6838 5.855975  3051.912 48.89995   3089.200 97.90000   3014.700 97.70000   518.8368 8.239326   512.5308   8.323659 6.305969 11.71195 
1 1 1  -25    1    7 o 390.7646 4.632039  1750.514 29.26587   1762.200 60.60000   1739.600 56.60000   392.0090 6.750195   389.5202   6.344920 2.488800 9.264077 
1 1 1  -25    1    8 o 259.0257 2.513293  767.1563 9.390663   773.8000 26.00000   763.4000 14.70000   259.8746 4.368669   258.1768   2.486222 1.697876 5.026586 
1 1 1  -25    1    9 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -25    1   10 o 358.4321 3.488145  1476.083 18.31060   1458.400 49.10000   1486.600 29.20000   356.6355 6.011691   360.2287   3.539519 -3.593231 6.976290 
1 1 1  -25    1   11 o 217.2509 2.239002  541.0974 7.202614   538.8000 19.00000   542.5000 11.60000   216.8607 3.825713   217.6412   2.327323 -0.7805023 4.478004 
1 1 1  -25    1   12 o 409.2263 4.079884  1901.107 23.92455   1987.300 67.70000   1854.000 37.00000   416.1942 7.102844   402.2584   4.016394 13.93582 8.159768 
1 1 1  -25    1   13 o 164.7509 1.957765  308.8970 4.633663   318.1000 13.00000   303.8000 7.200000   166.6310 3.406647   162.8708   1.930319 3.760254 3.915530 
1 1 1  -25    1   14 o 370.0860 3.183836  1567.516 19.00865   1523.100 35.90000   1617.500 40.40000   364.5395 4.300209   375.6325   4.696322 -11.09299 6.367671 
1 1 1  -25    1   15 o 175.2635 1.949766  347.3159 4.841122   336.7000 7.400000   367.4000 14.00000   171.4604 1.884550   179.0667   3.413917 -7.606293 3.899533 
1 1 1  -25    1   16 o 73.59811 1.235804  61.68793 1.387931   60.30000 2.300000   63.80000 3.500000   72.56294 1.384053   74.63329   2.047742 -2.070343 2.471609 
1 1 1  -25    1   17 o 358.3373 3.710898  1473.038 20.95609   1466.600 36.90000   1481.500 48.50000   357.5502 4.506393   359.1244   5.897074 -1.574158 7.421797 
1 1 1  -25    1   18 o 114.8212 1.663694  150.8244 3.029268   149.2000 5.400000   152.9000 6.900000   114.1250 2.066106   115.5175   2.608202 -1.392448 3.327388 
1 1 1  -25    1   19 o 219.8918 2.336134  553.0000 7.692307   548.0000 12.50000   561.0000 20.00000   218.6720 2.496068   221.1115   3.949649 -2.439407 4.672267 
1 1 1  -25    1   20 o 216.7854 2.353570  538.0901 7.743210   534.1000 12.80000   544.2000 19.60000   215.8497 2.589395   217.7211   3.930929 -1.871445 4.707140 
1 1 1  -25    1   21 o 222.8478 2.374734  575.6364 7.765152   592.0000 12.50000   548.8000 20.50000   227.2174 2.402194   218.4783   4.097182 8.739090 4.749467 
1 1 1  -25    1   22 o 119.7350 1.623028  163.7691 2.904065   161.4000 4.700000   167.6000 7.600000   118.6574 1.729589   120.8126   2.746889 -2.155212 3.246056 
1 1 1  -25    1   23 o 67.72726 1.730949  53.34189 1.801351   56.40000 3.100000   49.10000 4.300000   70.11330 1.930639   65.34123   2.873564 4.772064 3.461898 
1 1 1  -25    1   24 o 82.52431 1.671373  75.90568 2.007955   69.60000 3.100000   87.50000 5.700000   77.88100 1.738080   87.16762   2.855350 -9.286621 3.342746 
1 1 1  -25    1   25 o 47.46248 2.013900  25.76774 1.535484   22.20000 2.800000   30.10000 3.400000   43.86500 2.787274   51.05996   2.907623 -7.194965 4.027799 
1 1 1  -25    1   26 o 25.65418 4.113465  7.732836 1.510448   6.600000 2.300000   9.900000 4.400000   23.32843 4.467779   27.97993   6.908063 -4.651499 8.226931 
1 1 1  -25    1   27 o 29.38684 3.596274  10.53077 1.538462   10.30000 2.500000   10.90000 4.000000   29.55949 3.693030   29.21419   6.172056 0.3453026 7.192547 
1 1 1  -25    1   28 o 13.95337 3.519047 0.1800001 1.200000  -3.300000 2.000000   5.400000 3.000000   7.519328 3.656168   20.38741   6.013918 -12.86809 7.038095 
1 1 1  -25    1   29 o 59.70833 2.012605  42.60526 1.852632   44.50000 3.200000   40.00000 4.400000   61.66555 2.265933   57.75111   3.326841 3.914433 4.025211 
1 1 1  -25    1   30 o 40.54533 3.803905  21.87778 2.115556   23.20000 3.400000   19.70000 5.600000   43.81920 3.388084   37.27147   6.811730 6.547729 7.607810 
1 1 1  -25    3    1 o 268.1370 2.684631  827.1702 10.43653   836.1000 16.50000   811.8000 28.40000   270.1664 2.666811   266.1075   4.660161 4.058838 5.369263 
1 1 1  -25    3    2 o 54.32565 1.318288  33.84889 1.057778   34.00000 1.700000   33.60000 2.800000   54.48850 1.362335   54.16279   2.257339 0.3257141 2.636576 
1 1 1  -25    3    3 o 175.8778 1.687202  353.0484 4.757813   339.5000 8.700000   369.4000 10.50000   172.1703 2.206484   179.5854   2.553042 -7.415100 3.374403 
1 1 1  -25    3    4 o 430.4597 3.579486  2124.033 24.94990   2157.700 50.00000   2090.500 49.80000   433.8672 5.032142   427.0522   5.091996 6.814972 7.158972 
1 1 1  -25    3    5 o 224.6911 1.999222  577.9677 7.270790   598.5000 14.90000   558.4000 14.20000   228.5858 2.846273   220.7963   2.808253 7.789551 3.998445 
1 1 1  -25    3    6 o 128.4573 1.309813  188.8422 2.722936   196.6000 5.600000   181.5000 5.300000   131.0233 1.866291   125.8913   1.838314 5.131943 2.619626 
1 1 1  -25    3    7 o 162.4041 1.558830  301.9049 4.097561   312.2000 8.400000   292.1000 8.000000   165.1055 2.221557   159.7026   2.187347 5.402863 3.117660 
1 1 1  -25    3    8 o 635.6473 7.215963  4644.610 74.26792   4635.500 147.1000   4653.900 150.0000   635.0396 10.11467   636.2551   10.29437 -1.215515 14.43193 
1 1 1  -25    3    9 o 405.5646 3.414553  1885.072 22.42274   1877.400 44.40000   1892.900 45.30000   404.7339 4.790195   406.3953   4.867312 -1.661438 6.829106 
1 1 1  -25    3   10 o 309.4518 2.719236  1097.260 13.62495   1119.000 27.30000   1075.600 27.20000   312.5135 3.814465   306.3902   3.876446 6.123322 5.438472 
1 1 1  -25    3   11 o 552.2917 4.484743  3498.040 40.05786   3533.400 82.80000   3464.900 77.60000   554.9673 6.514823   549.6162   6.165125 5.351074 8.969486 
1 1 1  -25    3   12 o 201.8690 2.725465  466.8000 12.60000   466.8000 12.60000          ?        ?   201.8690 2.725465          ?          ?       ?       ? 
1 1 1  -25    3   13 o 432.4337 3.587161  2141.574 25.08318   2232.800 52.30000   2057.500 48.20000   441.2596 5.175439   423.6078   4.968472 17.65186 7.174321 
1 1 1  -25    3   14 o 519.2139 5.362672  3069.198 41.86720   2971.700 67.90000   3226.000 109.2000   508.9200 5.825860   529.5078   9.005130 -20.58780 10.72534 
1 1 1  -25    3   15 o 283.8660 4.968541  924.4000 32.30000   924.4000 32.30000          ?        ?   283.8660 4.968541          ?          ?       ?       ? 
1 1 1  -25    3   16 o 251.3539 3.300712  0.000000 0.000000          ?        ?   724.2000 19.00000          ?        ?   251.3539   3.300712       ?       ? 
1 1 1  -25    3   17 o 189.7592 2.610693  408.8000 7.428571   430.9000 19.50000   395.2000 12.00000   193.8106 4.393361   185.7077   2.821571 8.102814 5.221387 
1 1 1  -25    3   18 o 191.1571 1.900818  418.3545 5.844255   412.0000 10.90000   425.7000 12.60000   189.6056 2.510238   192.7086   2.855021 -3.102921 3.801636 
1 1 1  -25    3   19 o 116.7122 1.441811  156.0716 2.724771   153.0000 5.400000   159.2000 5.500000   115.5531 2.040571   117.8712   2.037486 -2.318138 2.883623 
1 1 1  -25    3   20 o 119.8735 1.648520  164.7500 3.200000   166.2000 6.400000   163.3000 6.400000   120.4016 2.321065   119.3453   2.341610 1.056366 3.297041 
1 1 1  -25    3   21 o 95.58189 1.634469  101.8404 2.232323   94.80000 3.400000   115.3000 6.500000   90.94938 1.632371   100.2144   2.832193 -9.265030 3.268938 
1 1 1  -25    3   22 o 48.47482 2.150410  26.62727 1.527273   25.50000 2.400000   28.60000 4.200000   47.13466 2.223364   49.81497   3.681537 -2.680309 4.300821 
1 1 1  -25    3   23 o 79.24502 1.555153  72.40633 1.949367   74.40000 3.500000   69.90000 4.400000   80.51259 1.898209   77.97745   2.463902 2.535141 3.110307 
1 1 1  -25    3   24 o 110.9077 1.684805  141.4573 2.719658   141.2000 4.300000   141.9000 7.400000   110.9066 1.692976   110.9088   2.913435 -0.2281189E-02 3.369610 
1 1 1  -25    3   25 o 54.63316 2.427692  33.96341 1.775610   32.60000 2.600000   36.90000 5.600000   53.19778 2.134124   56.06855   4.361224 -2.870770 4.855385 
1 1 1  -25    3   26 o 14.57828 4.408113 0.5555556 1.631944   0.000000 2.500000   1.600000 4.700000   11.85161 5.098818   17.30495   7.192210 -5.453342 8.816226 
1 1 1  -25    3   27 o 59.87653 2.037966  41.45000 1.867949   39.90000 3.100000   43.80000 4.700000   58.67861 2.306862   61.07444   3.360300 -2.395828 4.075933 
1 1 1  -25    3   28 o 30.53286 2.684307  11.24717 1.320755   11.20000 2.500000   11.30000 2.800000   30.55416 3.572806   30.51156   4.007129 0.4259682E-01 5.368615 
1 1 1  -25    3   29 o 53.90557 2.409837  35.61707 2.045122   41.80000 3.900000   28.80000 4.300000   59.30429 2.871562   48.50685   3.870839 10.79744 4.819675 
1 1 1  -25    3   30 o 17.66950 4.009791  4.264913 1.403509   5.800000 2.500000   2.300000 3.200000   20.49126 5.290811   14.84773   6.026693 5.643535 8.019583 
1 1 1  -25    5    1 o 142.5207 1.538136  232.6549 3.549296   229.5000 7.000000   235.9000 7.200000   141.5412 2.159509   143.5003   2.190885 -1.959076 3.076272 
1 1 1  -25    5    2 o 161.9030 1.750692  300.9913 4.574863   326.7000 9.100000   275.0000 9.200000   168.8752 2.352963   154.9308   2.592924 13.94446 3.501384 
1 1 1  -25    5    3 o 127.7406 1.477717  187.2213 3.049180   197.5000 6.000000   176.6000 6.200000   131.3133 1.995180   124.1678   2.180331 7.145515 2.955434 
1 1 1  -25    5    4 o 213.5452 2.053620  522.3500 7.094367   518.9000 13.80000   526.0000 14.60000   212.8225 2.831400   214.2679   2.975332 -1.445450 4.107241 
1 1 1  -25    5    5 o 183.9242 1.804671  387.4991 5.374884   387.7000 10.80000   387.3000 10.70000   183.9714 2.563381   183.8770   2.540949 0.9432983E-01 3.609342 
1 1 1  -25    5    6 o 106.7979 1.302376  130.7244 2.248889   134.0000 4.400000   127.3000 4.600000   108.1680 1.776207   105.4277   1.905210 2.740280 2.604752 
1 1 1  -25    5    7 o 395.7906 4.843272  1796.100 43.90000   1796.100 43.90000          ?        ?   395.7906 4.843272          ?          ?       ?       ? 
1 1 1  -25    5    8 o 353.6641 3.130990  1433.298 17.89958   1419.200 34.50000   1448.500 37.20000   351.8700 4.281309   355.4581   4.569769 -3.588165 6.261980 
1 1 1  -25    5    9 o 97.18845 2.560943  0.000000 0.000000          ?        ?   108.2000 5.700000          ?        ?   97.18845   2.560943       ?       ? 
1 1 1  -25    5   10 o 310.6707 3.324862  1095.048 15.63278   1052.600 25.50000   1162.300 40.40000   303.0588 3.674117   318.2825   5.542534 -15.22369 6.649723 
1 1 1  -25    5   11 o 268.3553 3.241365  807.6755 12.56951   761.2000 19.40000   893.2000 35.70000   257.7306 3.286817   278.9801   5.587721 -21.24951 6.482730 
1 1 1  -25    5   12 o 67.67182 1.611221  52.79857 1.744286   56.90000 3.300000   48.20000 3.700000   70.48028 2.044495   64.86337   2.490818 5.616913 3.222442 
1 1 1  -25    5   13 f 306.7426 3.528037  1068.721 16.42808   1026.600 26.90000   1134.800 42.20000   299.2003 3.925816   314.2850   5.863117 -15.08469 7.056073 
1 1 1  -25    5   14 o 182.9536 1.764481  383.6555 5.224880   372.0000 10.50000   395.2000 10.40000   180.1845 2.544553   185.7227   2.445164 -5.538223 3.528962 
1 1 1  -25    5   15 o 87.38807 1.342475  87.42105 1.898684   90.50000 3.900000   84.50000 3.700000   88.88632 1.915885   85.88982   1.881047 2.996506 2.684950 
1 1 1  -25    5   16 o 237.7838 2.408827  648.5569 9.274394   647.7000 18.70000   649.4000 18.40000   237.6244 3.436294   237.9432   3.376635 -0.3188324 4.817653 
1 1 1  -25    5   17 o 190.0339 1.926347  413.9093 5.922363   386.5000 11.60000   442.5000 12.10000   183.6050 2.758755   196.4627   2.689335 -12.85768 3.852694 
1 1 1  -25    5   18 o 168.1732 1.826845  324.2281 4.971859   329.2000 10.20000   319.5000 9.700000   169.4262 2.628811   166.9202   2.537480 2.505997 3.653690 
1 1 1  -25    5   19 o 144.0927 1.854003  238.2757 4.324855   242.7000 8.600000   233.8000 8.700000   145.4429 2.581937   142.7425   2.661373 2.700409 3.708005 
1 1 1  -25    5   20 o 38.71204 2.435302  17.24754 1.521312   17.20000 2.900000   17.30000 3.200000   38.66558 3.275014   38.75851   3.605145 -0.9292603E-01 4.870604 
1 1 1  -25    5   21 o 53.94841 2.121876  33.51622 1.844595   33.80000 3.500000   33.20000 3.900000   54.20631 2.819407   53.69051   3.171808 0.5158081 4.243751 
1 1 1  -25    5   22 o 26.95886 3.276203  8.514286 1.383929   7.800000 2.500000   9.400000 3.100000   25.92947 4.210039   27.98825   5.020917 -2.058783 6.552407 
1 1 1  -25    5   23 o 59.24998 1.927205  40.38514 1.844595   37.50000 3.500000   43.60000 3.900000   57.02566 2.680016   61.47430   2.770197 -4.448639 3.854410 
1 1 1  -25    5   24 o 57.53829 2.173189  38.35926 2.022222   39.50000 4.200000   37.30000 3.900000   58.34594 3.143246   56.73064   3.001834 1.615295 4.346378 
1 1 1  -25    5   25 o 99.40411 1.739835  114.4429 2.796429   112.9000 5.400000   116.1000 5.800000   98.74355 2.387947   100.0647   2.530970 -1.321129 3.479670 
1 1 1  -25    5   26 o 42.13921 3.177063  21.88916 2.050602   25.50000 3.700000   17.40000 4.600000   46.53485 3.471867   37.74356   5.321752 8.791290 6.354125 
1 1 1  -25    5   27 o 33.67297 3.563804  14.45294 1.451470   14.70000 2.100000   13.90000 4.700000   35.39569 2.590649   31.95025   6.640131 3.445440 7.127608 
1 1 1  -25    5   28 o 37.19541 3.770050  17.80000 1.928571   17.30000 3.000000   18.70000 5.400000   37.84318 3.461572   36.54765   6.698554 1.295528 7.540100 
1 1 1  -25    5   29 o 17.82989 4.802176  3.506173 1.913580  0.1000000 3.100000   9.000000 5.000000   12.37397 5.489806   23.28580   7.880711 -10.91183 9.604352 
1 1 1  -25    7    1 f 19.94774 4.033631  4.656363 1.370909   5.500000 2.900000   3.900000 2.600000   21.49253 5.770393   18.40294   5.637668 3.089590 8.067263 
1 1 1  -25    7    2 o 101.6886 1.796002  118.1992 2.919492   115.1000 5.300000   122.0000 6.500000   100.2174 2.309258   103.1597   2.751332 -2.942322 3.592005 
1 1 1  -25    7    3 o 117.0926 2.077260  157.4090 3.757419   158.4000 6.400000   156.0000 9.100000   117.5655 2.377059   116.6197   3.407290 0.9457321 4.154520 
1 1 1  -25    7    4 o 52.18826 1.896078  31.62857 1.571429   36.20000 3.000000   26.60000 3.300000   56.20661 2.330631   48.16991   2.991423 8.036705 3.792157 
1 1 1  -25    7    5 o 216.3526 2.134604  536.7070 7.474916   519.6000 15.00000   553.7000 14.90000   212.9107 3.076334   219.7944   2.960120 -6.883728 4.269208 
1 1 1  -25    7    6 o 162.4991 1.738851  302.4771 4.573771   289.1000 9.000000   316.3000 9.300000   158.8462 2.474032   166.1520   2.444090 -7.305771 3.477702 
1 1 1  -25    7    7 o 81.65376 1.550206  76.34146 2.048780   74.00000 4.000000   78.80000 4.200000   80.37125 2.173196   82.93627   2.211284 -2.565018 3.100413 
1 1 1  -25    7    8 o 243.0091 2.327156  677.1451 9.140164   671.0000 18.90000   682.9000 17.70000   241.9313 3.411218   244.0869   3.166420 -2.155640 4.654313 
1 1 1  -25    7    9 o 139.1496 1.808952  221.1785 4.049080   232.3000 8.800000   211.7000 7.500000   142.3735 2.698941   135.9257   2.409348 6.447800 3.617905 
1 1 1  -25    7   10 o 98.87869 1.623674  111.9971 2.599039   109.3000 5.100000   114.8000 5.300000   97.66563 2.280174   100.0918   2.312157 -2.426125 3.247347 
1 1 1  -25    7   11 o 132.8917 1.695926  202.2507 3.647260   211.6000 7.500000   193.4000 7.100000   135.8786 2.410182   129.9048   2.386563 5.973801 3.391852 
1 1 1  -25    7   12 o 212.2760 2.791343  518.2413 8.817695   513.0000 23.00000   521.5000 14.30000   211.2872 4.753291   213.2649   2.927901 -1.977722 5.582685 
1 1 1  -25    7   13 o 72.56265 1.578717  60.41756 1.844595   61.60000 3.500000   59.10000 3.900000   73.31823 2.084471   71.80708   2.371576 1.511147 3.157434 
1 1 1  -25    7   14 o 153.6341 1.678261  270.6120 4.174850   272.6000 8.300000   268.6000 8.400000   154.2036 2.350300   153.0646   2.396317 1.139053 3.356523 
1 1 1  -25    7   15 o 74.79483 1.590415  64.14935 1.924675   68.10000 3.900000   60.30000 3.800000   77.07042 2.209615   72.51925   2.288074 4.551170 3.180830 
1 1 1  -25    7   16 o 193.2393 2.054374  428.9202 6.424124   418.5000 13.00000   439.1000 12.70000   190.9057 2.973474   195.5728   2.835535 -4.667099 4.108747 
1 1 1  -25    7   17 o 85.60267 1.605490  84.06966 2.222472   83.20000 4.300000   85.00000 4.600000   85.15009 2.205074   86.05525   2.334104 -0.9051666 3.210980 
1 1 1  -25    7   18 o 163.6877 1.839043  307.7795 4.871795   301.3000 9.500000   314.6000 10.00000   161.9289 2.561763   165.4465   2.639259 -3.517609 3.678086 
1 1 1  -25    7   19 o 74.04874 1.502141  63.00000 1.800000   65.70000 3.600000   60.30000 3.600000   75.64090 2.078191   72.45659   2.169523 3.184311 3.004282 
1 1 1  -25    7   20 o 55.68193 1.775658  35.70625 1.598437   35.90000 3.100000   35.50000 3.300000   55.84843 2.423765   55.51543   2.595613 0.3329926 3.551315 
1 1 1  -25    7   21 o 32.30273 2.626866  12.25556 1.333333   11.20000 3.000000   13.10000 2.400000   30.96482 4.230507   33.64066   3.115204 -2.675840 5.253731 
1 1 1  -25    7   22 o 41.08696 2.369029  19.51111 1.555556   18.40000 2.800000   20.90000 3.500000   39.82887 3.069727   42.34506   3.609151 -2.516193 4.738058 
1 1 1  -25    7   23 o 30.72346 3.160396  11.51833 1.498333   9.400000 3.100000   13.50000 2.900000   27.57491 5.096672   33.87201   3.738495 -6.297096 6.320792 
1 1 1  -25    7   24 o 57.12341 2.050661  37.68158 1.878947   32.00000 3.400000   44.70000 4.200000   52.38536 2.834058   61.86145   2.964619 -9.476089 4.101323 
1 1 1  -25    7   25 o 39.03315 2.641089  18.43333 1.648485   14.70000 3.200000   22.40000 3.400000   34.78703 4.016728   43.27928   3.430351 -8.492252 5.282179 
1 1 1  -25    7   26 o 23.38059 4.695579  7.833333 1.866667   8.300000 3.500000   7.300000 4.000000   24.36289 6.244237   22.39829   7.014509 1.964603 9.391157 
1 1 1  -25    7   27 o 19.38056 4.606522  5.250000 1.750000   3.800000 3.500000   6.700000 3.500000   17.22586 6.499683   21.53526   6.529494 -4.309399 9.213043 
1 1 1  -25    9    1 o 52.82135 2.075085  32.09437 1.774648   32.50000 3.600000   31.70000 3.500000   53.14851 2.957679   52.49418   2.911364 0.6543312 4.150169 
1 1 1  -25    9    2 o 96.12311 1.651177  106.3941 2.525490   109.1000 4.600000   103.1000 5.600000   97.51043 2.059901   94.73578   2.581153 2.774651 3.302354 
1 1 1  -25    9    3 o 119.6990 1.715569  164.5105 3.324812   165.9000 6.600000   163.1000 6.700000   120.2121 2.397373   119.1859   2.454651 1.026184 3.431138 
1 1 1  -25    9    4 o 109.5484 1.819431  137.8891 3.224806   132.8000 6.500000   142.9000 6.400000   107.5331 2.639434   111.5637   2.504936 -4.030586 3.638862 
1 1 1  -25    9    5 o 54.73143 1.932344  33.37206 1.580882   30.10000 2.500000   39.00000 4.300000   51.22392 2.131115   58.23895   3.223997 -7.015030 3.864687 
1 1 1  -25    9    6 o 196.0400 2.039717  441.4718 6.474904   434.2000 12.90000   448.8000 13.00000   194.4164 2.897320   197.6636   2.871815 -3.247162 4.079434 
1 1 1  -25    9    7 o 167.0277 1.831605  320.4414 4.947980   313.3000 10.10000   327.3000 9.700000   165.1892 2.669804   168.8663   2.508237 -3.677032 3.663209 
1 1 1  -25    9    8 o 159.4802 1.831671  292.1185 4.718519   295.2000 9.100000   288.8000 9.800000   160.3716 2.477728   158.5887   2.698321 1.782944 3.663342 
1 1 1  -25    9    9 o 31.76752 3.229601  11.99683 1.574603   8.700000 3.100000   15.40000 3.200000   26.97097 5.207431   36.56408   3.821510 -9.593107 6.459201 
1 1 1  -25    9   10 o 18.78621 4.089277  3.650820 1.524590   6.700000 3.100000  0.7000000 3.000000   23.55785 5.787651   14.01456   5.778566 9.543293 8.178554 
1 1 1  -25    9   11 f 38.31901 2.502257  17.08361 1.524590   13.10000 3.000000   21.20000 3.100000   33.70739 3.886296   42.93063   3.153073 -9.223244 5.004514 
1 1 1  -25    9   12 o 14.17691 3.989934  1.060714 1.398214   2.200000 2.900000   0.000000 2.700000   15.81910 5.927026   12.53472   5.343093 3.284385 7.979867 
1 1 1  -25    9   13 o 19.24647 3.952803  4.245000 1.418333   6.200000 2.300000   1.100000 3.700000   22.73942 4.575061   15.75352   6.447281 6.985897 7.905607 
1 1 1  -25    9   14 o 43.32868 1.974209  21.68546 1.374545   18.20000 2.700000   25.30000 2.800000   39.75498 2.965595   46.90238   2.606771 -7.147400 3.948419 
1 1 1  -25    9   15 o 60.50929 1.791682  42.21714 1.748571   39.80000 3.600000   44.50000 3.400000   58.80555 2.673153   62.21303   2.386367 -3.407475 3.583364 
1 1 1  -25    9   16 o 62.80739 2.045192  45.58554 2.074699   42.60000 4.200000   48.50000 4.100000   60.75091 3.018813   64.86388   2.760074 -4.112968 4.090384 
1 1 1  -25    9   17 o 21.17989 4.448075  5.156338 1.774648   2.100000 3.500000   8.300000 3.600000   16.43980 6.422087   25.91998   6.156159 -9.480171 8.896151 
1 1 1  -25    9   18 o 40.67614 2.571708  18.89706 1.663235   23.60000 3.900000   15.40000 2.900000   44.97144 3.786758   36.38084   3.480688 8.590603 5.143415 
1 1 1  -25    9   19 o 59.22859 2.035344  40.60769 1.938461   41.90000 4.200000   39.50000 3.600000   60.05431 3.053830   58.40287   2.691584 1.651432 4.070688 
1 1 1  -25    9   20 o 36.02391 2.815873  15.24444 1.431746   15.00000 2.200000   15.70000 4.100000   35.92813 2.673793   36.11969   4.956551 -0.1915512 5.631746 
1 1 1  -25    9   21 f 21.88770 4.064321  5.736923 1.606154   1.900000 2.900000   10.50000 3.600000   14.93094 5.842144   28.84446   5.651918 -13.91352 8.128642 
1 1 1  -25    9   22 o 51.27482 2.198821  31.15616 1.824658   30.70000 3.700000   31.60000 3.600000   50.86727 3.176165   51.68237   3.041584 -0.8151054 4.397642 
1 1 1  -25    9   23 o 40.77740 3.515534  21.10652 2.282609   20.40000 5.000000   21.70000 4.200000   39.71227 5.497751   41.84253   4.382996 -2.130268 7.031068 
1 1 1  -25    9   24 o 12.27010 3.993878 -2.046154 1.867949  -5.300000 4.700000  0.1000000 3.100000   11.88894 5.738590   12.65127   5.556334 -0.7623262 7.987757 
1 1 1  -25    9   25 o 36.14945 2.977782  16.82537 1.644776   18.60000 2.900000   14.50000 3.800000   39.09963 3.238658   33.19927   4.997983 5.900360 5.955563 
1 1 1  -25   11    1 o 32.13093 3.284893  12.27794 1.698529   13.20000 3.300000   11.30000 3.500000   33.45458 4.307230   30.80727   4.960832 2.647310 6.569786 
1 1 1  -25   11    2 o 15.25046 4.218069  1.132308 1.621538   3.800000 3.400000  -1.300000 3.100000   18.51943 6.489655   11.98149   5.390065 6.537943 8.436138 
1 1 1  -25   11    3 o 11.84417 3.737679 -1.106780 1.471186  -2.000000 3.100000 -0.3000000 2.800000   11.41119 5.232660   12.27715   5.338563 -0.8659601 7.475359 
1 1 1  -25   11    4 o 36.49699 2.713462  15.55313 1.593750   15.60000 3.000000   15.50000 3.400000   36.60109 3.579043   36.39288   4.079456 0.2082100 5.426925 
1 1 1  -25   11    5 o 10.15959 3.422520 -4.071875 1.560938  -6.500000 3.700000  -2.300000 2.700000   10.08774 4.920064   10.23145   4.758944 -0.1437149 6.845041 
1 1 1  -25   11    6 o 81.48736 1.865630  76.79796 2.433674   77.90000 4.500000   75.50000 5.300000   82.18774 2.390811   80.78698   2.864668 1.400757 3.731259 
1 1 1  -25   11    7 o 76.92531 2.233965  68.47340 2.603670   69.20000 6.600000   68.00000 4.300000   77.07314 3.739217   76.77748   2.445537 0.2956543 4.467929 
1 1 1  -25   11    8 o 43.66884 2.924688  22.78750 1.968750   19.30000 4.500000   25.50000 3.500000   40.45929 4.856618   46.87840   3.260131 -6.419106 5.849375 
1 1 1  -25   11    9 o 62.38055 1.840893  44.91216 1.828378   45.30000 4.100000   44.60000 3.300000   62.56702 2.861397   62.19410   2.316885 0.3729210 3.681786 
1 1 1  -25   11   10 o 39.35503 3.295620  18.25000 2.100000   18.60000 4.200000   17.90000 4.200000   39.74336 4.614497   38.96669   4.706471 0.7766724 6.591241 
1 1 1  -25   11   11 o 31.31168 3.484286  11.79118 1.676471   12.10000 3.000000   11.40000 3.800000   32.15018 4.074530   30.47318   5.653246 1.677004 6.968571 
1 1 1  -25   11   12 o 27.96536 3.548179  9.880000 1.485000   6.800000 3.300000   12.40000 2.700000   23.32730 6.105910   32.60342   3.616099 -9.276127 7.096358 
1 1 1  -25   11   13 o 21.04735 3.961463  5.457377 1.521312   8.500000 2.900000   2.100000 3.200000   26.30335 4.996933   15.79135   6.148448 10.51200 7.922926 
1 1 1  -25   11   14 o 54.20267 1.994763  34.04857 1.744286   38.70000 3.700000   29.90000 3.300000   57.69970 2.800063   50.70564   2.841825 6.994061 3.989527 
1 1 1  -25   11   15 o 25.98641 3.861840  8.533334 1.574603   9.600000 3.200000   7.500000 3.100000   27.70830 5.234734   24.26451   5.679155 3.443790 7.723680 
1 1 1  -25   11   16 o 18.97131 4.408715  3.800000 1.663235  0.9000000 2.900000   7.700000 3.900000   13.64924 5.659245   24.29337   6.761659 -10.64413 8.817430 
1 1 1  -25   11   17 o 41.75504 2.586480  20.82174 1.695652   21.30000 3.000000   20.20000 3.900000   42.53915 3.079443   40.97094   4.156507 1.568218 5.172960 
1 1 1  -25   11   18 o 23.19381 3.697697  6.945455 1.363636   9.400000 3.000000   4.900000 2.500000   27.07038 5.024096   19.31724   5.426813 7.753143 7.395393 
1 1 1  -25   11   19 o 33.19623 2.976643  13.60000 1.600000   13.80000 3.200000   13.40000 3.200000   33.45931 4.176117   32.93316   4.242837 0.5261536 5.953287 
1 1 1  -25   11   20 o 35.67863 2.962020  15.79412 1.694118   16.50000 3.200000   15.00000 3.600000   36.76300 3.800832   34.59425   4.543999 2.168751 5.924040 
1 1 1  -25   11   21 o 14.53356 4.385559  1.343836 1.824658   1.800000 3.700000  0.9000000 3.600000   15.03573 6.324480   14.03140   6.077291 1.004331 8.771118 
1 1 1  -25   13    1 o 23.45301 4.710273  7.748193 2.074699   12.10000 4.200000   3.500000 4.100000   29.47137 6.405697   17.43465   6.907512 12.03672 9.420546 
1 1 1  -25   13    2 o 27.73594 4.990346  11.20000 2.250000   10.50000 4.500000   11.90000 4.500000   26.71818 7.194270   28.75369   6.917853 -2.035511 9.980692 
1 1 1  -25   13    3 o 20.87402 4.163428  4.157895 1.815789   13.60000 4.600000  -2.000000 3.000000   31.05385 6.667385   10.69419   4.988236 20.35965 8.326856 
1 1 1  -25   13    4 o 16.06167 4.602820  2.400000 1.781818   1.700000 4.900000   2.800000 2.800000   16.53883 7.126769   15.58451   5.826920 0.9543238 9.205641 
1 1 1  -25   13    5 o 13.60331 4.166880 -0.3714286 1.714286  -2.900000 3.000000   3.000000 4.000000   10.16545 4.817504   17.04117   6.800237 -6.875717 8.333760 
1 1 1  -25   13    6 o 19.44300 4.986757  4.885185 2.022222   4.500000 3.900000   5.300000 4.200000   18.86368 6.908742   20.02233   7.193071 -1.158644 9.973515 
1 1 1  -25   13    7 o 26.04162 3.714264  8.811111 1.565079   4.300000 2.900000   14.10000 3.400000   18.19923 5.998784   33.88401   4.381510 -15.68479 7.428528 
1 1 1  -25   13    8 o 22.66904 4.071712  6.750746 1.671642   11.40000 3.500000   2.500000 3.200000   29.64643 5.352020   15.69165   6.137690 13.95478 8.143424 
1 1 1  -25   13    9 o 24.84224 4.214643  8.302985 1.656716   7.900000 3.000000   8.800000 3.700000   24.42541 5.496012   25.25907   6.391143 -0.8336563 8.429286 
1 1 1  -25   13   10 o 10.82728 3.570930 -2.475806 1.543548  -4.300000 2.900000 -0.4000000 3.300000   9.079350 4.411906   12.57520   5.616159 -3.495850 7.141860 
1 1 1  -25   13   11 o 14.45069 4.388056 0.1884616 1.944872  -2.800000 3.700000   3.500000 4.100000   11.49526 5.418102   17.40612   6.903934 -5.910858 8.776112 
1 1 1  -25   13   12 o 14.02177 4.290134 0.6671233 1.797260 -0.4000000 4.100000   1.500000 3.200000   13.78487 6.200298   14.25867   5.931045 -0.4737959 8.580268 
1 1 1  -25   13   13 o 15.88813 4.717607  1.959036 2.060241   2.600000 3.800000   1.200000 4.500000   16.18598 6.568294   15.59029   6.773533 0.5956955 9.435213 
1 1 1  -25   13   14 o 15.50681 4.483404  2.121918 1.816438   3.100000 3.400000   1.000000 3.900000   16.37607 6.348327   14.63756   6.332644 1.738505 8.966807 
1 1 1  -25   13   15 o 16.52071 4.227333  2.284848 1.575758  -1.300000 2.600000   7.800000 4.000000   10.29320 4.746409   22.74822   6.996640 -12.45502 8.454665 
1 1 1  -25   13   16 o 18.70115 4.404468  4.877143 1.737143   7.300000 3.200000   2.000000 3.800000   22.37418 6.084481   15.02813   6.369962 7.346050 8.808935 
1 1 1  -24    0    1 o 377.7138 4.394332  1634.900 38.00000   1634.900 38.00000   1634.900 38.00000   377.7138 4.394332   377.7138   4.394332 0.000000 0.000000 
1 1 1  -24    0    2 o 430.7611 4.978693  2126.500 49.10000   2126.500 49.10000   2126.500 49.10000   430.7611 4.978693   430.7611   4.978693 0.000000 0.000000 
1 1 1  -24    0    3 o 430.1116 4.925253  2120.000 48.50000   2120.000 48.50000   2120.000 48.50000   430.1116 4.925253   430.1116   4.925253 0.000000 0.000000 
1 1 1  -24    0    4 o 70.83591 1.110195  57.50000 1.800000   57.50000 1.800000   57.50000 1.800000   70.83591 1.110195   70.83591   1.110195 -0.000000 0.000000 
1 1 1  -24    0    5 o 90.13934 1.308565  93.10000 2.700000   93.10000 2.700000   93.10000 2.700000   90.13934 1.308565   90.13934   1.308565 0.000000 0.000000 
1 1 1  -24    0    6 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -24    0    7 o 412.8393 4.676343  1953.300 44.20000   1953.300 44.20000   1953.300 44.20000   412.8393 4.676343   412.8393   4.676343 -0.000000 0.000000 
1 1 1  -24    0    8 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -24    0    9 o 598.2881 6.701851  4104.100 91.80000   4104.100 91.80000   4104.100 91.80000   598.2881 6.701851   598.2881   6.701851 0.000000 0.000000 
1 1 1  -24    0   10 o 314.2282 3.794895  1131.400 27.30000   1131.400 27.30000   1131.400 27.30000   314.2282 3.794895   314.2282   3.794895 0.000000 0.000000 
1 1 1  -24    0   11 o 178.5721 2.544240  365.4000 10.40000   365.4000 10.40000   365.4000 10.40000   178.5721 2.544240   178.5721   2.544240 0.000000 0.000000 
1 1 1  -24    0   12 o 89.73312 1.655768  92.30000 3.400000   92.30000 3.400000   92.30000 3.400000   89.73312 1.655768   89.73312   1.655768 -0.000000 0.000000 
1 1 1  -24    0   13 o 130.0166 1.881628  193.7000 5.600000   193.7000 5.600000   193.7000 5.600000   130.0166 1.881628   130.0166   1.881628 0.000000 0.000000 
1 1 1  -24    0   14 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -24    0   15 o 300.1472 3.681911  1032.400 25.30000   1032.400 25.30000   1032.400 25.30000   300.1472 3.681911   300.1472   3.681911 -0.000000 0.000000 
1 1 1  -24    0   16 f 461.1339 5.531797  2438.100 58.40000   2438.100 58.40000   2438.100 58.40000   461.1339 5.531797   461.1339   5.531797 0.000000 0.000000 
1 1 1  -24    0   17 o 53.62215 2.785858  33.20000 3.400000   33.20000 3.400000   33.20000 3.400000   53.62215 2.785858   53.62215   2.785858 -0.000000 0.000000 
1 1 1  -24    0   18 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -24    0   19 o 72.36966 2.480419  60.20000 4.100000   60.20000 4.100000   60.20000 4.100000   72.36966 2.480419   72.36966   2.480419 0.000000 0.000000 
1 1 1  -24    0   20 o 169.2298 2.478244  328.3000 9.600000   328.3000 9.600000   328.3000 9.600000   169.2298 2.478244   169.2298   2.478244 0.000000 0.000000 
1 1 1  -24    0   21 o 103.6107 2.405130  123.2000 5.700000   123.2000 5.700000   123.2000 5.700000   103.6107 2.405130   103.6107   2.405130 0.000000 0.000000 
1 1 1  -24    0   22 o 154.0680 2.268452  272.2000 8.000000   272.2000 8.000000   272.2000 8.000000   154.0680 2.268452   154.0680   2.268452 -0.000000 0.000000 
1 1 1  -24    0   23 o 74.55835 2.230012  63.90000 3.800000   63.90000 3.800000   63.90000 3.800000   74.55835 2.230012   74.55835   2.230012 0.000000 0.000000 
1 1 1  -24    0   24 o 12.32016 6.881570  2.400000 2.900000   2.400000 2.900000   2.400000 2.900000   12.32016 6.881570   12.32016   6.881570 -0.000000 0.000000 
1 1 1  -24    0   25 o 38.65829 2.625722  17.40000 2.300000   17.40000 2.300000   17.40000 2.300000   38.65829 2.625722   38.65829   2.625722 0.000000 0.000000 
1 1 1  -24    0   26 o 50.91892 2.762753  30.10000 3.200000   30.10000 3.200000   30.10000 3.200000   50.91892 2.762753   50.91892   2.762753 -0.000000 0.000000 
1 1 1  -24    0   27 o 17.63280 6.793859  5.000000 2.600000   5.000000 2.600000   5.000000 2.600000   17.63280 6.793859   17.63280   6.793859 0.000000 0.000000 
1 1 1  -24    0   28 f 43.36610 2.743830  22.00000 2.700000   22.00000 2.700000   22.00000 2.700000   43.36610 2.743830   43.36610   2.743830 0.000000 0.000000 
1 1 1  -24    0   29 o 11.57160 6.569417  2.300000 2.700000   2.300000 2.700000   2.300000 2.700000   11.57160 6.569417   11.57160   6.569417 0.000000 0.000000 
1 1 1  -24    0   30 o 104.0128 2.564363  126.0000 6.100000   126.0000 6.100000   126.0000 6.100000   104.0128 2.564363   104.0128   2.564363 0.000000 0.000000 
1 1 1  -24    2    1 o 106.4922 1.239613  130.8571 2.057143   136.3000 3.600000   123.6000 4.800000   109.0977 1.440876   103.8868   2.017533 5.210892 2.479226 
1 1 1  -24    2    2 o 239.7384 2.272272  663.2814 8.283430   683.0000 13.90000   634.2000 20.50000   244.1995 2.485477   235.2772   3.804641 8.922272 4.544544 
1 1 1  -24    2    3 o 104.7835 1.395272  126.3878 2.032222   127.8000 3.100000   123.7000 5.900000   105.6421 1.281340   103.9250   2.478973 1.717094 2.790544 
1 1 1  -24    2    4 o 214.3849 2.149735  527.6771 6.698611   531.1000 10.60000   521.8000 18.20000   215.3478 2.149340   213.4219   3.723678 1.925858 4.299469 
1 1 1  -24    2    5 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -24    2    6 o 567.6450 6.589933  3700.185 60.56508   3679.700 119.6000   3721.200 122.7000   566.0701 9.225729   569.2200   9.412480 -3.149902 13.17987 
1 1 1  -24    2    7 o 244.2853 2.589683  675.1119 9.491315   721.7000 25.00000   646.6000 15.30000   250.9715 4.349660   237.5990   2.811813 13.37244 5.179367 
1 1 1  -24    2    8 o 485.7690 3.915332  2704.450 30.79602   2735.600 62.30000   2674.000 60.90000   488.5321 5.568454   483.0059   5.505599 5.526245 7.830664 
1 1 1  -24    2    9 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -24    2   10 o 602.3563 6.864932  4161.800 94.70000   4161.800 94.70000          ?        ?   602.3563 6.864932          ?          ?       ?       ? 
1 1 1  -24    2   11 o 389.1399 3.264693  1734.323 20.55893   1684.700 40.00000   1786.800 42.30000   383.4203 4.555379   394.8595   4.677755 -11.43912 6.529386 
1 1 1  -24    2   12 o 517.4633 5.215036  3064.364 41.37855   3030.600 69.30000   3114.400 102.7000   514.1250 5.885783   520.8016   8.610688 -6.676575 10.43007 
1 1 1  -24    2   13 o 180.8254 3.429008  0.000000 0.000000          ?        ?   374.6000 14.20000          ?        ?   180.8254   3.429008       ?       ? 
1 1 1  -24    2   14 o 101.8707 1.556526  119.5535 2.469307   123.3000 4.300000   114.5000 5.800000   103.7602 1.809578   99.98113   2.533084 3.779091 3.113051 
1 1 1  -24    2   15 o 254.4632 2.761837  737.0305 10.76392   716.3000 17.90000   768.3000 27.00000   250.0436 3.125913   258.8827   4.554078 -8.839081 5.523673 
1 1 1  -24    2   16 o 237.0091 3.110190  644.3830 11.91321   653.1000 23.10000   635.1000 24.60000   238.6770 4.226113   235.3412   4.564329 3.335861 6.220380 
1 1 1  -24    2   17 o 305.4278 3.449658  1065.175 16.11190   1043.400 26.80000   1098.000 40.40000   301.6555 3.879389   309.2001   5.705339 -7.544678 6.899315 
1 1 1  -24    2   18 o 127.6422 1.798404  188.5979 3.360839   194.3000 5.400000   179.2000 8.900000   130.2428 1.810422   125.0416   3.107957 5.201149 3.596808 
1 1 1  -24    2   19 o 99.19734 1.506318  113.0426 2.221277   114.0000 3.600000   111.5000 5.800000   99.76138 1.575723   98.63330   2.567699 1.128075 3.012637 
1 1 1  -24    2   20 o 185.3582 2.191293  392.3436 6.063035   386.7000 9.800000   401.5000 15.90000   183.6838 2.329673   187.0326   3.712099 -3.348816 4.382586 
1 1 1  -24    2   21 o 130.7444 2.018107  195.3910 3.947305   192.9000 6.400000   199.4000 10.30000   129.7180 2.154366   131.7707   3.413171 -2.052689 4.036214 
1 1 1  -24    2   22 o 217.8863 2.277630  547.3889 7.523885   553.4000 12.50000   538.3000 18.90000   219.5723 2.485835   216.2004   3.817201 3.371887 4.555261 
1 1 1  -24    2   23 o 35.21009 3.160292  13.38356 1.673972   10.00000 2.600000   19.50000 4.700000   29.43263 3.857304   40.98755   5.007093 -11.55491 6.320583 
1 1 1  -24    2   24 o 80.81197 1.514248  74.78228 1.949367   72.70000 3.500000   77.40000 4.400000   79.57294 1.920624   82.05099   2.341578 -2.478058 3.028495 
1 1 1  -24    2   25 o 44.69441 2.000268  23.55714 1.371429   26.00000 2.400000   20.30000 3.200000   47.52922 2.204907   41.85960   3.338063 5.669613 4.000535 
1 1 1  -24    2   26 o 23.54476 3.280597  6.862500 1.181250   8.000000 2.100000   5.400000 2.700000   26.20249 3.499584   20.88704   5.549972 5.315451 6.561194 
1 1 1  -24    2   27 o 100.4562 1.832248  118.6826 2.739130   123.3000 4.500000   111.5000 7.000000   103.3368 1.901504   97.57555   3.132541 5.761253 3.664496 
1 1 1  -24    2   28 o 43.25872 2.986462  23.23798 1.883544   25.20000 3.100000   20.20000 4.800000   46.26742 2.925675   40.25003   5.207326 6.017387 5.972924 
1 1 1  -24    2   29 o 34.82933 4.204835  19.25395 1.603947   23.40000 2.300000   9.700000 5.300000   44.69028 2.247266   24.96839   8.103848 19.72189 8.409671 
1 1 1  -24    2   30 o 38.75129 3.286814  19.18125 1.938750   19.80000 3.300000   18.30000 4.700000   40.29579 3.575971   37.20678   5.515888 3.089005 6.573628 
1 1 1  -24    4    1 o 213.3652 2.062445  521.3369 7.117895   514.8000 13.80000   528.3000 14.70000   211.9870 2.842560   214.7435   2.989076 -2.756592 4.124890 
1 1 1  -24    4    2 o 97.58069 1.234338  109.0410 1.948718   108.7000 3.800000   109.4000 4.000000   97.42445 1.703159   97.73693   1.787068 -0.3124771 2.468676 
1 1 1  -24    4    3 o 379.4023 3.861807  1644.874 22.66297   1618.400 38.40000   1683.000 55.30000   375.7762 4.462124   383.0284   6.304256 -7.252167 7.723613 
1 1 1  -24    4    4 o 179.9861 2.094074  367.5120 5.755187   353.4000 9.500000   389.2000 14.60000   175.6574 2.361549   184.3148   3.458854 -8.657471 4.188148 
1 1 1  -24    4    5 o 259.3372 2.850452  764.3716 11.27034   739.9000 18.60000   802.0000 28.60000   254.1446 3.195742   264.5298   4.720968 -10.38522 5.700904 
1 1 1  -24    4    6 o 323.1601 3.509314  1187.802 17.22268   1153.200 28.30000   1241.600 44.00000   317.2539 3.895105   329.0662   5.838605 -11.81232 7.018629 
1 1 1  -24    4    7 o 260.5555 2.358189  777.5439 9.945980   767.5000 19.50000   788.0000 20.30000   258.8400 3.289599   262.2709   3.379757 -3.430939 4.716378 
1 1 1  -24    4    8 f 202.9615 1.970214  471.2247 6.458687   457.5000 12.30000   486.4000 13.60000   199.8559 2.687372   206.0671   2.881841 -6.211227 3.940428 
1 1 1  -24    4    9 f 237.4643 2.158641  645.9698 8.298795   644.3000 16.80000   647.6000 16.40000   237.1598 3.093199   237.7689   3.011817 -0.6090698 4.317282 
1 1 1  -24    4   10 o 149.1404 1.522126  254.7735 3.673469   255.9000 7.200000   253.6000 7.500000   149.4778 2.103273   148.8031   2.200843 0.6746674 3.044251 
1 1 1  -24    4   11 o 343.2531 2.977417  1350.219 16.54864   1325.000 32.80000   1375.900 33.40000   340.0183 4.212222   346.4879   4.209186 -6.469574 5.954834 
1 1 1  -24    4   12 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -24    4   13 o 439.1396 4.564233  2189.396 30.34245   2102.200 49.50000   2327.500 78.40000   428.1643 5.048175   450.1150   7.605579 -21.95071 9.128467 
1 1 1  -24    4   14 f 20.80845 2.923655  5.150000 0.9500000   4.600000 1.900000   5.700000 1.900000   19.64676 4.338707   21.97015   3.920032 -2.323383 5.847309 
1 1 1  -24    4   15 o 84.54900 1.260712  81.70435 1.715942   79.20000 3.200000   84.60000 3.700000   83.15623 1.680331   85.94176   1.879911 -2.785522 2.521423 
1 1 1  -24    4   16 o 218.1895 2.941868  545.6000 14.70000   545.6000 14.70000          ?        ?   218.1895 2.941868          ?          ?       ?       ? 
1 1 1  -24    4   17 o 233.6881 2.214604  626.1633 8.374926   597.2000 16.70000   655.3000 16.80000   228.2607 3.194664   239.1156   3.067899 -10.85492 4.429207 
1 1 1  -24    4   18 o 146.4628 1.797389  246.1882 4.235294   241.0000 9.000000   250.8000 8.000000   144.9935 2.710402   147.9322   2.361386 -2.938705 3.594777 
1 1 1  -24    4   19 o 272.8698 2.551642  854.6266 11.27228   846.8000 22.20000   862.7000 22.90000   271.6082 3.569026   274.1313   3.647678 -2.523102 5.103284 
1 1 1  -24    4   20 o 153.7473 1.897145  270.7047 4.714286   286.0000 9.900000   256.8000 9.000000   157.8794 2.738100   149.6151   2.626678 8.264374 3.794289 
1 1 1  -24    4   21 o 115.5995 1.483099  153.3162 2.772973   152.7000 5.700000   153.9000 5.400000   115.3671 2.157409   115.8319   2.035661 -0.4647598 2.966197 
1 1 1  -24    4   22 o 38.27449 2.665034  16.84848 1.643939   14.50000 3.100000   19.50000 3.500000   35.44076 3.819428   41.10823   3.717740 -5.667469 5.330068 
1 1 1  -24    4   23 o 79.49721 1.532809  72.20506 1.959494   66.60000 3.600000   78.90000 4.300000   76.14384 2.064465   82.85058   2.266275 -6.706734 3.065619 
1 1 1  -24    4   24 o 104.5791 1.715035  126.4204 2.686726   127.9000 4.400000   124.1000 6.900000   105.5057 1.821027   103.6525   2.906758 1.853188 3.430070 
1 1 1  -24    4   25 o 80.68790 2.024781  75.18156 2.423301   74.50000 3.900000   76.30000 6.400000   80.41153 2.117805   80.96428   3.451646 -0.5527496 4.049562 
1 1 1  -24    4   26 o 91.25821 1.621329  96.61790 2.343158   97.90000 4.200000   95.00000 5.300000   92.07018 1.991911   90.44624   2.558734 1.623940 3.242658 
1 1 1  -24    4   27 o 62.94210 2.196809  46.57209 1.982558   46.50000 3.100000   46.70000 5.500000   63.31610 2.137899   62.56809   3.838393 0.7480087 4.393618 
1 1 1  -24    4   28 o 26.26927 4.279630  10.11250 1.875000   13.60000 3.000000   4.300000 5.000000   33.43169 3.918344   19.10685   7.609699 14.32484 8.559260 
1 1 1  -24    4   29 o 29.61210 2.994107  10.33103 1.365517   7.600000 2.200000   14.80000 3.600000   24.91328 3.855951   34.31091   4.581523 -9.397633 5.988214 
1 1 1  -24    6    1 o 247.6631 2.412595  702.9328 9.667183   712.6000 19.90000   693.8000 18.80000   249.3122 3.485373   246.0140   3.336858 3.298218 4.825189 
1 1 1  -24    6    2 o 352.2314 3.160219  1423.408 18.02469   1445.700 36.20000   1401.300 35.90000   354.9807 4.452907   349.4822   4.485482 5.498474 6.320437 
1 1 1  -24    6    3 o 217.6902 2.086423  541.4908 7.301020   564.8000 15.90000   521.7000 13.50000   221.9997 3.127407   213.3806   2.762603 8.619110 4.172847 
1 1 1  -24    6    4 o 53.63829 1.530851  33.04528 1.324528   35.40000 2.600000   30.60000 2.700000   55.59245 2.042195   51.68414   2.281110 3.908302 3.061702 
1 1 1  -24    6    5 o 127.2070 1.529727  185.4000 3.150000   179.6000 6.300000   191.2000 6.300000   125.2160 2.196951   129.1979   2.129241 -3.981857 3.059454 
1 1 1  -24    6    6 o 144.5012 2.447673  239.2000 8.100000   239.2000 8.100000          ?        ?   144.5012 2.447673          ?          ?       ?       ? 
1 1 1  -24    6    7 o 253.9667 2.444494  739.2896 10.04602   734.7000 20.50000   743.7000 19.70000   253.1886 3.535488   254.7447   3.376764 -1.556107 4.888988 
1 1 1  -24    6    8 o 420.5913 3.700293  2029.632 25.19365   2034.000 51.20000   2025.400 49.60000   421.0242 5.310099   420.1584   5.154758 0.8657227 7.400587 
1 1 1  -24    6    9 o 53.21803 1.393099  32.45000 1.200000   31.30000 2.400000   33.60000 2.400000   52.27445 2.004756   54.16161   1.934904 -1.887161 2.786198 
1 1 1  -24    6   10 o 172.2753 1.855012  340.0290 5.174879   344.4000 10.40000   335.7000 10.30000   173.3774 2.619271   171.1732   2.627490 2.204193 3.710025 
1 1 1  -24    6   11 o 182.5103 2.064280  381.5811 6.093443   376.6000 11.80000   386.9000 12.60000   181.2830 2.842265   183.7376   2.994417 -2.454529 4.128560 
1 1 1  -24    6   12 o 216.0647 2.081771  535.2900 7.264605   528.7000 15.10000   541.4000 14.00000   214.7742 3.069972   217.3552   2.812534 -2.580933 4.163541 
1 1 1  -24    6   13 o 159.4319 1.765593  291.4720 4.541209   286.2000 9.500000   296.3000 8.700000   158.0448 2.624722   160.8191   2.362225 -2.774338 3.531186 
1 1 1  -24    6   14 o 219.8390 2.709900  549.1895 9.035789   530.3000 14.80000   578.8000 23.20000   215.0970 3.004465   224.5810   4.510812 -9.484024 5.419800 
1 1 1  -24    6   15 o 198.4915 1.961530  451.3167 6.280556   444.8000 11.90000   458.6000 13.30000   196.9865 2.637850   199.9965   2.903816 -3.009933 3.923060 
1 1 1  -24    6   16 o 116.4504 1.498387  155.3761 2.823009   156.3000 5.800000   154.5000 5.500000   116.7855 2.168596   116.1154   2.068296 0.6701736 2.996775 
1 1 1  -24    6   17 o 191.6085 2.453182  420.9809 7.106376   424.2000 18.10000   418.9000 11.70000   192.1048 4.114148   191.1122   2.673235 0.9926453 4.906363 
1 1 1  -24    6   18 o 28.53231 3.815411  10.43333 1.625758   5.500000 3.700000   14.30000 2.900000   21.79300 6.733521   35.27163   3.590147 -13.47862 7.630823 
1 1 1  -24    6   19 o 106.7349 1.753418  130.8231 3.014876   130.4000 6.400000   131.2000 5.700000   106.5547 2.622689   106.9151   2.327961 -0.3603058 3.506836 
1 1 1  -24    6   20 o 41.32739 2.372986  18.40318 1.365079   24.00000 4.300000   15.80000 2.000000   45.56604 4.120661   37.08875   2.354656 8.477295 4.745973 
1 1 1  -24    6   21 o 123.4300 2.081700  174.2467 3.997576   183.3000 9.700000   167.9000 6.800000   126.0246 3.360904   120.8354   2.457279 5.189255 4.163399 
1 1 1  -24    6   22 o 34.37804 3.683465  0.000000 0.000000          ?        ?   13.70000 2.900000          ?        ?   34.37804   3.683465       ?       ? 
1 1 1  -24    6   23 f 27.40345 4.222823  9.562667 1.858667   5.900000 4.100000   12.60000 3.400000   22.08267 7.123653   32.72424   4.536795 -10.64157 8.445646 
1 1 1  -24    6   24 o 68.61387 1.990260  54.60909 2.171591   55.50000 4.900000   53.90000 3.900000   69.01017 3.100435   68.21757   2.496365 0.7926025 3.980520 
1 1 1  -24    6   25 o 27.98714 4.139090  11.26316 1.768421   4.000000 4.800000   15.50000 2.800000   19.64538 7.563192   36.32890   3.365468 -16.68352 8.278179 
1 1 1  -24    6   26 o 13.89352 4.185722 -0.2897061 1.580882   4.200000 4.300000  -2.900000 2.500000   18.74449 7.172492   9.042540   4.316993 9.701954 8.371444 
1 1 1  -24    6   27 o 21.89291 4.938870  6.936709 1.972152   6.600000 3.800000   7.300000 4.100000   21.43873 6.852033   22.34710   7.114733 -0.9083691 9.877741 
1 1 1  -24    6   28 o 11.00738 3.746477 -4.340506 1.974684  -5.100000 4.000000  -3.600000 3.900000   10.72264 5.203750   11.29212   5.391229 -0.5694809 7.492954 
1 1 1  -24    8    1 o 57.74514 1.930226  38.22083 1.787500   37.90000 3.300000   38.60000 3.900000   57.48887 2.506513   58.00141   2.936065 -0.5125427 3.860451 
1 1 1  -24    8    2 o 74.09364 1.730361  62.85663 2.067470   61.40000 3.900000   64.50000 4.400000   73.18570 2.326902   75.00158   2.561663 -1.815880 3.460721 
1 1 1  -24    8    3 o 63.16058 1.905316  45.54615 1.938461   42.50000 3.600000   49.10000 4.200000   60.88561 2.581829   65.43555   2.802691 -4.549942 3.810632 
1 1 1  -24    8    4 o 90.88683 2.094755  93.99000 2.786667   91.90000 4.400000   97.60000 7.600000   89.55165 2.145452   92.22202   3.598477 -2.670364 4.189510 
1 1 1  -24    8    5 o 15.32360 4.272804 0.7279412 1.698529   3.300000 3.300000  -2.000000 3.500000   18.11469 6.389897   12.53251   5.674207 5.582178 8.545608 
1 1 1  -24    8    6 o 57.71960 2.791779  37.59612 2.423301   41.20000 6.400000   35.40000 3.900000   59.87946 4.667044   55.55975   3.065096 4.319710 5.583557 
1 1 1  -24    8    7 o 96.11993 3.497977  0.000000 0.000000          ?        ?   106.0000 7.700000          ?        ?   96.11993   3.497977       ?       ? 
1 1 1  -24    8    8 o 23.17409 5.368803  5.727273 2.290909   7.000000 3.600000   3.500000 6.300000   24.21430 6.396414   22.13387   8.624504 2.080427 10.73761 
1 1 1  -24    8    9 o 157.2923 2.255865  284.9806 5.582379   275.0000 12.80000   292.7000 9.900000   154.8020 3.610548   159.7827   2.705486 -4.980637 4.511730 
1 1 1  -24    8   10 o 79.30124 1.862749  72.13474 2.343158   71.80000 5.300000   72.40000 4.200000   79.12473 2.924849   79.47776   2.307508 -0.3530350 3.725498 
1 1 1  -24    8   11 o 226.4764 2.243003  588.5778 8.224924   579.4000 16.50000   597.7000 16.40000   224.7108 3.206267   228.2419   3.137531 -3.531113 4.486006 
1 1 1  -24    8   12 o 118.3098 1.619079  160.2226 3.087097   156.2000 5.800000   164.8000 6.600000   116.7320 2.169591   119.8877   2.403860 -3.155655 3.238158 
1 1 1  -24    8   13 o 24.87526 3.905396  7.135484 1.491935   5.200000 2.500000   10.00000 3.700000   20.83121 5.244026   28.91930   5.788668 -8.088083 7.810793 
1 1 1  -24    8   14 o 25.96951 4.001606  8.450747 1.629851   11.00000 2.800000   4.900000 3.900000   30.91677 3.954609   21.02225   6.957907 9.894526 8.003212 
1 1 1  -24    8   15 o 64.76054 1.787938  47.92000 1.858667   45.20000 3.400000   51.20000 4.100000   62.75406 2.365793   66.76702   2.681400 -4.012959 3.575875 
1 1 1  -24    8   16 o 62.08173 1.627963  44.48000 1.624615   39.20000 3.300000   49.60000 3.200000   58.42181 2.466486   65.74166   2.125441 -7.319851 3.255925 
1 1 1  -24    8   17 o 47.73378 2.166661  26.20746 1.671642   25.30000 3.200000   27.20000 3.500000   46.87710 2.980773   48.59046   3.145262 -1.713360 4.333322 
1 1 1  -24    8   18 o 117.1703 1.582243  158.2479 2.939496   161.9000 5.300000   153.7000 6.600000   118.7439 1.948966   115.5968   2.493090 3.147110 3.164485 
1 1 1  -24    8   19 o 117.0154 1.650696  157.5680 3.120000   158.0000 6.000000   157.1000 6.500000   117.2060 2.235328   116.8248   2.429506 0.3811646 3.301392 
1 1 1  -24    8   20 f 38.31186 2.820379  17.13429 1.748571   16.60000 3.400000   17.70000 3.600000   37.70703 3.937280   38.91669   4.039302 -1.209656 5.640757 
1 1 1  -24    8   21 o 61.78290 1.903304  44.25000 1.898684   42.30000 3.900000   46.10000 3.700000   60.42258 2.818416   63.14322   2.558672 -2.720642 3.806609 
1 1 1  -24    8   22 o 18.49071 4.307555  2.817392 1.643478 -0.9000000 2.700000   8.600000 4.200000   11.32257 5.066682   25.65885   6.967701 -14.33628 8.615110 
1 1 1  -24    8   23 o 65.21142 1.664289  49.45000 1.744286   51.10000 3.300000   47.60000 3.700000   66.43193 2.169086   63.99090   2.524778 2.441029 3.328579 
1 1 1  -24    8   24 o 69.36154 1.957884  56.37273 2.181818   52.60000 4.000000   60.90000 4.800000   66.92979 2.609638   71.79328   2.919424 -4.863487 3.915769 
1 1 1  -24    8   25 o 11.69216 3.859560 -2.301429 1.698571  -4.000000 2.900000  0.1000000 4.100000   9.216457 4.462847   14.16787   6.298240 -4.951413 7.719121 
1 1 1  -24    8   26 o 17.71526 4.647569  4.146479 1.774648   4.400000 3.600000   3.900000 3.500000   18.07203 6.634840   17.35849   6.509877 0.7135429 9.295138 
1 1 1  -24   10    1 o 46.54675 2.704797  24.67778 1.935802   27.40000 4.900000   22.90000 3.200000   48.54612 4.407388   44.54737   3.136661 3.998756 5.409595 
1 1 1  -24   10    2 o 69.66692 1.795863  55.62099 2.009876   58.50000 4.400000   53.20000 3.700000   71.30164 2.694591   68.03218   2.374800 3.269463 3.591726 
1 1 1  -24   10    3 o 147.9561 2.450742  250.5616 5.344978   261.0000 14.40000   244.4000 8.500000   150.1234 4.188456   145.7889   2.545858 4.334442 4.901485 
1 1 1  -24   10    4 o 26.09762 4.123540  8.298530 1.686765   8.800000 3.100000   7.700000 3.700000   27.06012 5.191155   25.13511   6.408294 1.925005 8.247080 
1 1 1  -24   10    5 o 62.63291 1.700398  43.52753 1.620290   37.80000 2.600000   53.00000 4.300000   57.38802 1.978298   67.87781   2.766180 -10.48979 3.400796 
1 1 1  -24   10    6 o 74.56377 1.781372  63.90931 2.148837   64.30000 4.200000   63.50000 4.400000   74.80446 2.451667   74.32309   2.585048 0.4813690 3.562744 
1 1 1  -24   10    7 o 120.7097 1.636911  167.2563 3.196875   162.8000 6.200000   172.0000 6.600000   119.0575 2.273917   122.3619   2.355253 -3.304367 3.273823 
1 1 1  -24   10    8 o 55.62384 1.915554  35.49130 1.715942   34.10000 3.200000   37.10000 3.700000   54.46399 2.565549   56.78370   2.845232 -2.319710 3.831108 
1 1 1  -24   10    9 o 12.49166 3.862234 -1.756061 1.625758   1.100000 2.900000  -5.400000 3.700000   14.27061 5.756512   10.71272   5.150726 3.557894 7.724468 
1 1 1  -24   10   10 o 62.00732 1.970020  44.61795 1.929487   47.40000 3.500000   41.20000 4.300000   64.22139 2.379732   59.79326   3.140190 4.428131 3.940041 
1 1 1  -24   10   11 o 50.48241 2.048889  29.33881 1.674627   28.60000 3.300000   30.10000 3.400000   49.83791 2.891304   51.12692   2.903816 -1.289005 4.097778 
1 1 1  -24   10   12 o 89.04987 1.786525  91.25632 2.574757   86.80000 5.100000   95.80000 5.200000   86.84750 2.564204   91.25224   2.488281 -4.404739 3.573050 
1 1 1  -24   10   13 o 54.62255 2.203503  34.77533 1.922078   39.10000 3.700000   30.10000 4.000000   58.23766 2.774198   51.00745   3.424255 7.230217 4.407006 
1 1 1  -24   10   14 o 42.29066 2.406482  20.56364 1.636364   22.80000 3.600000   18.70000 3.000000   44.36613 3.543159   40.21519   3.257398 4.150936 4.812963 
1 1 1  -24   10   15 o 29.53724 3.685410  10.44348 1.721739   9.200000 3.300000   11.80000 3.600000   27.42898 5.445532   31.64550   4.967412 -4.216526 7.370821 
1 1 1  -24   10   16 o 19.67009 4.190952  4.267647 1.676471   7.400000 3.000000  0.3000000 3.800000   24.48075 5.486809   14.85943   6.336500 9.621315 8.381904 
1 1 1  -24   10   17 o 16.43898 4.250626  2.754237 1.440678   2.500000 2.500000   3.100000 3.400000   15.44419 5.549447   17.43378   6.440102 -1.989597 8.501251 
1 1 1  -24   10   18 o 63.96126 1.738420  47.25417 1.787500   49.80000 3.900000   45.10000 3.300000   65.50029 2.599927   62.42223   2.308418 3.078064 3.476839 
1 1 1  -24   10   19 o 29.41883 3.756892  10.80000 1.721739   7.500000 3.300000   14.40000 3.600000   24.17695 5.990672   34.66071   4.535286 -10.48376 7.513785 
1 1 1  -24   10   20 o 52.50631 2.045035  32.52319 1.715942   34.10000 3.200000   30.70000 3.700000   54.01664 2.586796   50.99598   3.168149 3.020660 4.090071 
1 1 1  -24   10   21 o 41.27429 2.293471  20.30492 1.524590   23.10000 3.100000   17.60000 3.000000   44.15769 3.065456   38.39090   3.412186 5.766792 4.586942 
1 1 1  -24   10   22 o 36.59147 2.950126  16.35571 1.727143   13.30000 3.100000   20.20000 3.900000   32.81232 4.125384   40.37061   4.218315 -7.558285 5.900252 
1 1 1  -24   10   23 o 12.54980 3.888411 -0.4095238 1.571429  -2.600000 3.000000   2.000000 3.300000   10.23295 4.840077   14.86666   6.087085 -4.633706 7.776821 
1 1 1  -24   12    1 o 19.86938 4.037603  4.861290 1.524194   7.300000 2.700000   1.700000 3.500000   24.17046 5.040932   15.56831   6.308561 8.602153 8.075206 
1 1 1  -24   12    2 o 16.61143 4.347115  2.906452 1.535484   2.500000 2.800000   3.400000 3.400000   15.63493 5.830626   17.58794   6.449296 -1.953004 8.694229 
1 1 1  -24   12    3 o 34.44649 2.418357  13.77778 1.333333   11.20000 2.400000   17.00000 3.000000   30.87242 3.394535   38.02056   3.445422 -7.148140 4.836714 
1 1 1  -24   12    4 o 18.01030 4.473926  3.541177 1.686765   5.000000 3.100000   1.800000 3.700000   19.99522 6.161009   16.02538   6.488916 3.969831 8.947852 
1 1 1  -24   12    5 o 19.63610 4.251032  4.081690 1.771831   8.200000 3.400000 -0.4000000 3.700000   25.42152 5.946022   13.85068   6.076999 11.57084 8.502064 
1 1 1  -24   12    6 o 15.57821 4.311624  1.668116 1.620290   3.100000 2.600000 -0.7000000 4.300000   16.49298 5.680904   14.66344   6.487506 1.829536 8.623248 
1 1 1  -24   12    7 o 46.60666 2.515540  25.33158 1.888158   22.20000 3.500000   29.00000 4.100000   43.51198 3.512359   49.70133   3.602098 -6.189350 5.031081 
1 1 1  -24   12    8 o 14.95260 4.220509  1.625806 1.543548   2.000000 2.900000   1.200000 3.300000   15.14349 5.865079   14.76171   6.070553 0.3817835 8.441017 
1 1 1  -24   12    9 o 19.00292 4.493261  4.232353 1.686765   2.600000 3.700000   5.600000 3.100000   16.97285 6.610565   21.03299   6.087528 -4.060144 8.986522 
1 1 1  -24   12   10 o 18.39137 4.301091  4.073333 1.498333   4.900000 3.100000   3.300000 2.900000   19.76836 6.172594   17.01437   5.991377 2.753988 8.602181 
1 1 1  -24   12   11 o 13.27162 3.959574 0.1836065 1.521312  -1.600000 3.200000   1.800000 2.900000   11.77238 5.367184   14.77087   5.822905 -2.998497 7.919147 
1 1 1  -24   12   12 o 23.67533 4.015323  7.134426 1.524590   8.100000 3.100000   6.200000 3.000000   25.31620 5.503876   22.03447   5.847959 3.281736 8.030645 
1 1 1  -24   12   13 o 18.05660 4.839589  3.410256 1.944872   3.600000 3.700000   3.200000 4.100000   18.11250 6.712767   18.00071   6.973179 0.1117821 9.679177 
1 1 1  -24   12   14 o 19.20294 4.600719  4.640580 1.663768   4.600000 2.800000   4.700000 4.100000   18.89121 5.861025   19.51466   7.093297 -0.6234493 9.201439 
1 1 1  -24   12   15 o 22.42642 4.579036  6.881690 1.746479   6.600000 4.000000   7.100000 3.100000   21.82047 7.035947   23.03238   5.862229 -1.211914 9.158072 
1 1 1  -24   12   16 o 20.61589 4.657971  5.377465 1.647887   3.400000 2.600000   8.800000 4.500000   16.50875 5.681214   24.72303   7.383127 -8.214279 9.315942 
1 1 1  -24   12   17 o 37.90033 3.655381  18.21667 2.210000   15.40000 3.900000   21.90000 5.100000   34.78712 4.895374   41.01355   5.429784 -6.226429 7.310762 
1 1 1  -24   12   18 o 16.49582 4.411286  2.300000 1.848649  -1.500000 3.800000   5.900000 3.600000   12.52725 5.762466   20.46439   6.680700 -7.937142 8.822572 
1 1 1  -24   12   19 o 18.80568 4.214909  4.492537 1.674627  0.7000000 3.300000   8.400000 3.400000   13.34149 5.798507   24.26988   6.118754 -10.92839 8.429818 
1 1 1  -24   14    2 f 18.29015 4.532739  4.798508 1.671642   3.700000 3.200000   6.000000 3.500000   16.60132 6.224886   19.97897   6.590425 -3.377647 9.065478 
1 1 1  -24   14    3 o 14.90992 4.402395  1.650000 1.850000 -0.5000000 3.700000   3.800000 3.700000   12.79619 5.809666   17.02366   6.616049 -4.227476 8.804790 
1 1 1  -24   14    4 o 11.56581 3.766840 -1.929412 1.698529  -4.400000 3.500000  0.4000000 3.300000   10.10047 4.893799   13.03115   5.727744 -2.930686 7.533679 
1 1 1  -24   14    5 o 18.50180 4.868124  4.742308 1.944872   4.900000 4.100000   4.600000 3.700000   18.73845 7.042198   18.26516   6.723241 0.4732838 9.736248 
1 1 1  -24   14    6 o 23.42852 5.285127  8.353847 2.195604   7.500000 3.700000   9.600000 5.400000   22.59807 6.682409   24.25896   8.189974 -1.660889 10.57025 
1 1 1  -24   14    7 o 35.42976 3.243049  16.15139 1.765278   17.40000 3.100000   14.50000 4.100000   37.72599 3.588068   33.13353   5.403261 4.592468 6.486097 
1 1 1  -24   14    8 o 13.74704 4.190249 -0.2559999 1.872000  -4.000000 3.900000   3.200000 3.600000   11.05270 5.307372   16.44137   6.485721 -5.388674 8.380499 
1 1 1  -24   14    9 o 14.70291 4.511567  1.423077 1.765385  0.8000000 2.700000   2.600000 5.100000   12.52424 5.340970   16.88157   7.272618 -4.357330 9.023133 
1 1 1  -24   14   10 o 9.783615 3.391908 -5.772603 1.824658  -4.100000 3.700000  -7.400000 3.600000   10.57129 5.099800   8.995944   4.473501 1.575341 6.783817 
1 1 1  -24   14   11 o 15.17713 4.507692  1.680000 1.988750   3.900000 3.700000 -0.9000000 4.300000   17.06453 6.620459   13.28972   6.119370 3.774810 9.015385 
1 1 1  -23    1    1 f 412.9145 4.204852  1956.698 26.85113   1967.000 45.80000   1942.100 64.90000   414.3094 4.827035   411.5196   6.886426 2.789795 8.409704 
1 1 1  -23    1    2 o 67.09171 1.053469  52.59768 0.9767442   54.90000 1.500000   48.30000 2.800000   69.24102 0.9459485   64.94240   1.882649 4.298622 2.106938 
1 1 1  -23    1    3 o 378.7985 3.597143  1657.075 19.99177   1693.400 32.10000   1597.100 53.00000   384.4477 3.645922   373.1493   6.202016 11.29840 7.194286 
1 1 1  -23    1    4 o 186.3240 1.958838  399.9022 5.721889   413.6000 10.10000   382.0000 13.20000   190.0338 2.320760   182.6143   3.156305 7.419540 3.917676 
1 1 1  -23    1    5 o 110.7887 1.644086  139.9881 2.928814   149.1000 6.400000   132.3000 5.400000   114.0976 2.449307   107.4798   2.193848 6.617790 3.288172 
1 1 1  -23    1    6 o 121.8313 2.508874  170.0000 7.000000   170.0000 7.000000          ?        ?   121.8313 2.508874          ?          ?       ?       ? 
1 1 1  -23    1    7 o 365.9291 3.637360  1526.818 20.04568   1571.200 51.80000   1498.800 32.70000   370.1716 6.110354   361.6866   3.947799 8.484955 7.274719 
1 1 1  -23    1    8 o 524.0579 5.133983  3149.175 41.74346   3160.400 100.5000   3141.200 71.40000   524.6925 8.363747   523.4233   5.956414 1.269226 10.26797 
1 1 1  -23    1    9 o 462.6920 4.657148  2458.851 33.64993   2435.400 79.40000   2476.100 58.40000   460.6505 7.526423   464.7334   5.487173 -4.082855 9.314297 
1 1 1  -23    1   10 o 343.1807 3.439874  1333.425 16.73180   1406.300 48.30000   1294.800 25.60000   350.1732 6.022875   336.1880   3.325044 13.98520 6.879749 
1 1 1  -23    1   11 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -23    1   12 o 274.4351 2.958186  858.5495 11.43564   877.5000 33.00000   848.5000 17.50000   276.6941 5.207793   272.1762   2.807551 4.517914 5.916371 
1 1 1  -23    1   13 o 540.9590 5.577204  3366.469 46.51245   3402.600 79.10000   3314.900 112.9000   544.7110 6.340888   537.2069   9.176817 7.504089 11.15441 
1 1 1  -23    1   14 o 138.5773 1.753338  216.5364 3.563636   206.9000 5.600000   233.4000 9.800000   134.4113 1.819248   142.7433   2.997851 -8.332001 3.506675 
1 1 1  -23    1   15 o 286.9209 2.877137  936.3293 12.21552   914.7000 19.50000   972.6000 32.70000   282.5711 3.013329   291.2708   4.902195 -8.699646 5.754274 
1 1 1  -23    1   16 o 174.4484 2.153766  346.2043 5.368511   340.2000 8.300000   357.2000 15.20000   172.3452 2.102900   176.5516   3.759340 -4.206436 4.307531 
1 1 1  -23    1   17 o 294.5692 3.280193  977.6356 14.16020   928.6000 22.20000   1064.000 39.10000   284.6544 3.405452   304.4839   5.607278 -19.82956 6.560387 
1 1 1  -23    1   18 o 146.4818 2.065368  244.2440 4.460733   239.3000 7.100000   252.6000 12.00000   144.5297 2.145068   148.4339   3.530107 -3.904205 4.130735 
1 1 1  -23    1   19 o 300.2946 3.251128  1035.644 15.43860   1043.100 27.50000   1026.100 35.20000   301.6009 3.981437   298.9884   5.140768 2.612427 6.502256 
1 1 1  -23    1   20 o 186.9747 2.491703  403.0338 7.414047   420.5000 13.60000   382.1000 16.30000   191.4903 3.101215   182.4591   3.900872 9.031158 4.983406 
1 1 1  -23    1   21 f 113.7413 1.876696  149.3949 3.420438   165.1000 6.600000   132.5000 7.100000   120.0048 2.401513   107.4777   2.884561 12.52715 3.753392 
1 1 1  -23    1   22 o 170.5339 2.096550  334.5338 5.774026   356.1000 11.40000   312.4000 11.70000   176.1345 2.826182   164.9332   3.097543 11.20126 4.193099 
1 1 1  -23    1   23 o 73.56947 2.098931  62.47778 2.444444   64.30000 4.400000   60.20000 5.500000   74.81953 2.567896   72.31940   3.320837 2.500137 4.197862 
1 1 1  -23    1   24 o 131.3217 2.077472  196.7477 4.288636   185.9000 7.400000   211.7000 10.20000   127.1489 2.541316   135.4946   3.287138 -8.345619 4.154945 
1 1 1  -23    1   25 o 95.69860 1.672106  105.0471 2.451961   103.6000 4.100000   107.2000 6.100000   94.96797 1.885152   96.42923   2.762236 -1.461258 3.344211 
1 1 1  -23    1   26 o 55.88379 2.679745  36.36064 2.196809   36.10000 3.500000   36.80000 5.900000   55.86863 2.735519   55.89894   4.608803 -0.3031921E-01 5.359489 
1 1 1  -23    1   27 o 43.01495 3.084056  22.73750 1.875000   24.80000 3.000000   19.30000 5.000000   46.16455 2.837608   39.86534   5.476641 6.299213 6.168112 
1 1 1  -23    1   28 o 41.04452 2.610609  19.99130 1.721739   16.50000 3.300000   23.80000 3.600000   37.22538 3.870922   44.86366   3.503866 -7.638275 5.221218 
1 1 1  -23    1   29 o 81.93471 2.169212  79.22500 2.625000   77.50000 4.200000   82.10000 7.000000   81.44267 2.251837   82.42673   3.708255 -0.9840622 4.338425 
1 1 1  -23    1   30 o 30.72557 5.192569  13.86667 2.525490   13.10000 4.600000   14.80000 5.600000   30.27730 6.800298   31.17385   7.849016 -0.8965588 10.38514 
1 1 1  -23    3    1 o 148.2903 1.551284  251.8047 3.723490   249.6000 7.300000   254.1000 7.600000   147.6283 2.159201   148.9523   2.227954 -1.324005 3.102568 
1 1 1  -23    3    2 o 318.7028 2.751306  1163.267 14.19137   1187.500 29.10000   1140.200 27.70000   321.9386 3.946932   315.4671   3.834118 6.471527 5.502612 
1 1 1  -23    3    3 o 185.8544 1.785521  394.9447 5.365582   423.7000 11.20000   368.5000 10.30000   192.3371 2.542697   179.3717   2.507396 12.96538 3.571042 
1 1 1  -23    3    4 o 273.1772 2.480995  854.3264 10.96219   836.7000 21.20000   873.2000 22.70000   270.2637 3.425215   276.0906   3.590161 -5.826904 4.961991 
1 1 1  -23    3    5 o 403.6576 3.376764  1865.600 22.04779   1923.100 45.70000   1812.000 42.60000   409.6563 4.871204   397.6589   4.677767 11.99738 6.753527 
1 1 1  -23    3    6 o 253.1883 2.219380  734.0280 9.095604   749.0000 18.60000   719.7000 17.80000   255.7131 3.176141   250.6635   3.100763 5.049515 4.438761 
1 1 1  -23    3    7 o 141.6174 1.473074  229.1022 3.352592   221.8000 6.200000   237.7000 7.300000   139.1677 1.945328   144.0670   2.212576 -4.899231 2.946149 
1 1 1  -23    3    8 o 578.3801 4.684370  3835.207 43.86302   3785.000 86.30000   3887.100 89.20000   574.5394 6.558895   582.2209   6.689856 -7.681458 9.368739 
1 1 1  -23    3    9 o 224.3676 2.030090  576.5051 7.370847   572.6000 14.40000   580.6000 15.10000   223.5906 2.812217   225.1446   2.928567 -1.554031 4.060181 
1 1 1  -23    3   10 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -23    3   11 o 157.7635 1.585480  285.0198 4.049383   274.6000 8.000000   295.7000 8.200000   154.8439 2.255982   160.6832   2.228348 -5.839310 3.170960 
1 1 1  -23    3   12 o 275.2821 2.388811  866.9305 10.62653   837.1000 20.30000   899.7000 22.30000   270.3230 3.279086   280.2412   3.474662 -9.918243 4.777623 
1 1 1  -23    3   13 o 108.0286 1.314025  133.2196 2.290217   124.9000 4.300000   142.7000 4.900000   104.4323 1.797933   111.6249   1.916791 -7.192657 2.628051 
1 1 1  -23    3   14 o 332.2683 2.856914  1263.724 15.34959   1215.900 29.50000   1315.600 32.00000   325.7287 3.954628   338.8079   4.124166 -13.07916 5.713828 
1 1 1  -23    3   15 o 241.1921 3.150111  666.5000 17.40000   666.5000 17.40000          ?        ?   241.1921 3.150111          ?          ?       ?       ? 
1 1 1  -23    3   16 o 451.0026 4.789402  2317.052 32.44880   2427.600 84.70000   2248.400 52.60000   459.3297 8.051905   442.6755   5.188478 16.65417 9.578803 
1 1 1  -23    3   17 o 219.9754 2.157845  552.4922 7.596743   531.5000 13.80000   578.2000 16.90000   215.3610 2.798026   224.5899   3.285763 -9.228928 4.315691 
1 1 1  -23    3   18 o 271.9167 2.600407  847.6891 11.44978   833.8000 22.80000   861.7000 23.00000   269.6781 3.691721   274.1555   3.663284 -4.477386 5.200813 
1 1 1  -23    3   19 o 238.3206 2.170878  651.1752 8.365971   647.5000 16.20000   655.1000 17.30000   237.6356 2.976756   239.0056   3.160660 -1.369995 4.341756 
1 1 1  -23    3   20 o 319.1194 2.926805  1169.759 15.12165   1182.800 30.70000   1157.100 29.80000   320.8622 4.177914   317.3766   4.099973 3.485565 5.853610 
1 1 1  -23    3   21 o 198.8308 2.329831  453.4717 6.725517   451.9000 10.60000   456.2000 18.40000   198.5087 2.331665   199.1528   4.034327 -0.6441498 4.659662 
1 1 1  -23    3   22 o 29.12576 3.221000  10.09655 1.443103   8.600000 3.100000   11.40000 2.700000   26.79568 5.239436   31.45584   3.748022 -4.660160 6.441999 
1 1 1  -23    3   23 o 66.84137 1.984774  50.78954 2.108140   46.10000 3.700000   57.00000 4.900000   63.32567 2.551301   70.35707   3.041081 -7.031403 3.969548 
1 1 1  -23    3   24 f 93.45467 2.180325  100.7424 3.296970   106.1000 6.800000   95.70000 6.400000   95.86094 3.097469   91.04840   3.069357 4.812538 4.360650 
1 1 1  -23    3   25 o 49.15432 2.208397  28.01714 1.737143   28.20000 3.200000   27.80000 3.800000   49.38232 2.829556   48.92632   3.391414 0.4560013 4.416794 
1 1 1  -23    3   26 o 73.63710 2.282748  62.24128 2.658715   71.20000 6.300000   55.70000 4.600000   78.02704 3.525617   69.24715   2.900652 8.779884 4.565496 
1 1 1  -23    3   27 o 37.78808 3.595719  18.28354 1.921519   13.80000 4.600000   21.50000 3.300000   32.79762 6.353775   42.77853   3.368432 -9.980911 7.191438 
1 1 1  -23    3   28 o 31.34272 4.736767  12.20000 3.400000   12.20000 3.400000          ?        ?   31.34272 4.736767          ?          ?       ?       ? 
1 1 1  -23    3   29 o 25.20604 8.700420  10.30000 6.100000   10.30000 6.100000          ?        ?   25.20604 8.700420          ?          ?       ?       ? 
1 1 1  -23    3   30 o 11.83674 5.808804 -7.300000 5.400000  -7.300000 5.400000          ?        ?   11.83674 5.808804          ?          ?       ?       ? 
1 1 1  -23    5    1 o 156.8838 1.830541  281.2897 4.477717   286.0000 10.70000   277.9000 7.700000   158.0016 2.957072   155.7659   2.158529 2.235703 3.661082 
1 1 1  -23    5    2 o 225.7605 2.113220  583.5530 7.715210   572.8000 14.90000   595.1000 16.00000   223.6078 2.909638   227.9132   3.065421 -4.305420 4.226440 
1 1 1  -23    5    3 o 144.9192 1.513286  240.4084 3.543662   237.2000 6.800000   243.9000 7.400000   143.9112 2.063260   145.9271   2.214294 -2.015900 3.026572 
1 1 1  -23    5    4 o 96.15591 1.220145  105.8395 1.898684   108.2000 3.900000   103.6000 3.700000   97.20001 1.752016   95.11182   1.698662 2.088196 2.440289 
1 1 1  -23    5    5 o 74.13787 1.165925  62.86786 1.398214   66.70000 2.900000   59.30000 2.700000   76.31676 1.659273   71.95898   1.638394 4.357773 2.331850 
1 1 1  -23    5    6 o 141.4162 1.539939  229.0915 3.523404   227.1000 7.200000   231.0000 6.900000   140.8134 2.232688   142.0190   2.121497 -1.205521 3.079878 
1 1 1  -23    5    7 o 113.5564 1.292917  147.1389 2.353684   154.2000 5.200000   141.3000 4.300000   116.0350 1.956834   111.0779   1.690366 4.957130 2.585834 
1 1 1  -23    5    8 o 56.54895 1.280094  36.04043 1.148936   41.90000 2.700000   31.70000 2.000000   60.48573 1.949174   52.61217   1.659906 7.873554 2.560189 
1 1 1  -23    5    9 o 156.4509 2.034202  279.8980 4.974510   283.6000 11.80000   277.2000 8.600000   157.3342 3.274905   155.5676   2.413899 1.766602 4.068404 
1 1 1  -23    5   10 o 132.8009 1.728887  200.4034 3.531973   210.7000 8.800000   193.5000 5.900000   135.6206 2.833328   129.9812   1.982034 5.639374 3.457775 
1 1 1  -23    5   11 o 405.2851 4.689806  1885.544 30.77254   1901.500 61.00000   1869.300 62.10000   407.0284 6.544023   403.5418   6.719590 3.486633 9.379613 
1 1 1  -23    5   12 o 165.4990 2.042720  308.3548 5.148387   340.9000 13.30000   287.8000 8.400000   172.4861 3.366955   158.5120   2.313966 13.97409 4.085441 
1 1 1  -23    5   13 o 231.7940 2.199152  615.9164 8.249697   635.0000 16.40000   596.6000 16.60000   235.4119 3.041972   228.1761   3.176711 7.235794 4.398305 
1 1 1  -23    5   14 o 199.9759 2.022650  458.1836 6.548473   453.9000 12.90000   462.6000 13.30000   199.0282 2.830185   200.9236   2.890417 -1.895355 4.045300 
1 1 1  -23    5   15 o 374.4560 6.541867  1612.500 56.10000   1612.500 56.10000          ?        ?   374.4560 6.541867          ?          ?       ?       ? 
1 1 1  -23    5   16 o 92.75960 1.397567  98.34762 2.095238   91.30000 4.000000   106.1000 4.400000   89.27773 1.956395   96.24147   1.996320 -6.963737 2.795134 
1 1 1  -23    5   17 o 167.8524 1.757172  322.9832 4.774869   316.6000 9.600000   329.3000 9.500000   166.1997 2.522207   169.5052   2.447261 -3.305481 3.514344 
1 1 1  -23    5   18 o 131.4461 2.092824  198.0000 6.300000   198.0000 6.300000          ?        ?   131.4461 2.092824          ?          ?       ?       ? 
1 1 1  -23    5   19 o 182.9258 1.952121  384.0909 5.766234   388.8000 11.10000   379.0000 12.00000   184.1089 2.632618   181.7427   2.883129 2.366211 3.904243 
1 1 1  -23    5   20 o 17.18838 4.087315  2.192308 1.615385   5.700000 3.000000  -1.900000 3.500000   21.80728 5.875007   12.56949   5.684089 9.237796 8.174629 
1 1 1  -23    5   21 o 21.51143 4.100989  5.286885 1.491803   2.900000 2.600000   8.500000 3.500000   16.51569 5.681351   26.50716   5.915633 -9.991467 8.201979 
1 1 1  -23    5   22 o 35.48014 3.097144  14.77143 1.748571   17.20000 3.400000   12.20000 3.600000   38.56929 3.849257   32.39100   4.853085 6.178291 6.194289 
1 1 1  -23    5   23 o 13.48753 3.963635 -0.4766668 1.418333  -2.700000 2.300000   3.100000 3.700000   8.914317 4.222727   18.06075   6.708963 -9.146432 7.927270 
1 1 1  -23    5   24 o 89.00581 1.582245  91.46703 2.272527   94.90000 4.400000   87.80000 4.700000   90.76687 2.116728   87.24476   2.352330 3.522110 3.164489 
1 1 1  -23    5   25 o 61.27948 1.763799  43.50000 1.750000   42.60000 3.500000   44.40000 3.500000   60.63817 2.520355   61.92078   2.468148 -1.282616 3.527598 
1 1 1  -23    5   26 o 70.15512 1.874723  57.19277 1.966265   57.00000 3.200000   57.50000 5.100000   70.24126 1.989287   70.06899   3.178221 0.1722641 3.749446 
1 1 1  -23    5   27 o 27.68195 4.556856  10.64940 1.987952   12.20000 3.300000   8.300000 5.000000   31.42455 4.585477   23.93935   7.876112 7.485199 9.113711 
1 1 1  -23    5   28 o 22.04639 4.919420  6.910000 1.898750   6.600000 3.100000   7.400000 4.900000   21.84641 6.008529   22.24638   7.791042 -0.3999748 9.838840 
1 1 1  -23    5   29 o 21.13811 3.761171  6.381967 1.455738   8.900000 2.400000   2.500000 3.700000   26.70885 3.923700   15.56738   6.417959 11.14147 7.522341 
1 1 1  -23    7    1 o 127.4755 2.024886  186.6886 4.111446   181.7000 9.100000   190.8000 7.500000   125.9072 3.155952   129.0438   2.537837 -3.136574 4.049772 
1 1 1  -23    7    2 o 40.93441 2.668436  18.84648 1.732394   22.60000 4.100000   16.10000 3.000000   44.39286 4.032835   37.47597   3.495490 6.916893 5.336873 
1 1 1  -23    7    3 o 65.79271 1.611934  49.75294 1.676471   48.30000 3.800000   50.90000 3.000000   64.92605 2.555667   66.65938   1.965168 -1.733330 3.223867 
1 1 1  -23    7    4 o 153.6458 1.858630  270.3270 4.621622   280.7000 9.500000   260.5000 9.000000   156.5133 2.650404   150.7784   2.606413 5.734940 3.717261 
1 1 1  -23    7    5 o 288.9234 2.615608  957.4526 12.20654   950.7000 25.40000   963.7000 23.50000   287.9255 3.852062   289.9213   3.539382 -1.995819 5.231215 
1 1 1  -23    7    6 o 32.70716 2.947823  12.33871 1.548387   13.50000 3.000000   11.10000 3.200000   34.31104 3.817923   31.10329   4.492451 3.207743 5.895647 
1 1 1  -23    7    7 o 326.2171 2.835736  1220.783 14.97496   1181.000 29.90000   1260.700 30.00000   320.8839 4.068769   331.5503   3.951041 -10.66641 5.671473 
1 1 1  -23    7    8 f 171.0438 1.869918  335.0401 5.160387   331.3000 9.800000   339.2000 10.90000   170.0418 2.516576   172.0457   2.766447 -2.003891 3.739837 
1 1 1  -23    7    9 o 237.3415 2.240034  645.9756 8.589535   637.8000 17.80000   653.6000 16.60000   235.8797 3.295103   238.8032   3.035342 -2.923492 4.480068 
1 1 1  -23    7   10 o 237.7312 2.318196  647.5843 8.921569   629.3000 17.50000   666.6000 18.20000   234.3105 3.261265   241.1519   3.295493 -6.841492 4.636391 
1 1 1  -23    7   11 o 136.7164 1.604322  214.2099 3.549296   218.4000 7.000000   209.9000 7.200000   138.0747 2.213725   135.3580   2.322673 2.716614 3.208643 
1 1 1  -23    7   12 o 209.0397 2.061879  500.9226 6.967742   498.6000 14.40000   503.1000 13.50000   208.5632 3.014842   209.5162   2.813559 -0.9529572 4.123758 
1 1 1  -23    7   13 o 92.48425 1.501325  97.65333 2.240000   90.70000 4.200000   105.6000 4.800000   88.97102 2.061296   95.99748   2.183339 -7.026459 3.002650 
1 1 1  -23    7   14 o 334.1796 3.007175  1280.958 16.24270   1239.300 31.10000   1326.500 34.00000   328.5264 4.133614   339.8327   4.368712 -11.30637 6.014350 
1 1 1  -23    7   15 o 159.2543 1.832441  290.8064 4.723810   291.2000 9.300000   290.4000 9.600000   159.3674 2.548139   159.1413   2.634075 0.2261200 3.664883 
1 1 1  -23    7   16 o 77.29955 1.497875  68.49067 1.874667   69.20000 3.800000   67.80000 3.700000   77.69379 2.135684   76.90530   2.100802 0.7884903 2.995750 
1 1 1  -23    7   17 o 123.6858 1.709917  174.8752 3.402920   166.0000 6.300000   185.3000 7.400000   120.2984 2.286760   127.0732   2.542831 -6.774796 3.419833 
1 1 1  -23    7   18 o 255.0821 2.499698  749.2780 10.32446   732.6000 20.50000   766.2000 20.80000   252.2168 3.549111   257.9474   3.521048 -5.730637 4.999397 
1 1 1  -23    7   19 o 86.74575 1.620573  86.44615 2.274725   91.40000 4.600000   81.60000 4.500000   89.20934 2.251579   84.28216   2.331399 4.927185 3.241146 
1 1 1  -23    7   20 o 54.23267 1.835370  33.93906 1.585938   34.80000 2.900000   32.90000 3.500000   55.02217 2.301442   53.44318   2.859667 1.578995 3.670740 
1 1 1  -23    7   21 o 26.82821 3.264418  8.460000 1.338182   8.000000 2.300000   9.100000 3.200000   26.25402 3.825355   27.40240   5.290780 -1.148388 6.528835 
1 1 1  -23    7   22 o 29.85065 3.348778  10.27846 1.578462   8.700000 2.700000   12.50000 3.800000   27.22428 4.330591   32.47702   5.109132 -5.252743 6.697555 
1 1 1  -23    7   23 f 18.06920 4.125907  3.568966 1.422414   6.300000 3.300000   1.500000 2.500000   22.31887 6.222569   13.81953   5.419600 8.499339 8.251814 
1 1 1  -23    7   24 o 31.28819 2.791560  12.14231 1.298077   15.70000 2.500000   8.300000 2.700000   36.65680 2.978004   25.91958   4.722575 10.73722 5.583119 
1 1 1  -23    7   25 o 20.54020 4.190495  5.600000 1.464407   5.600000 3.200000   5.600000 2.700000   20.46192 6.252098   20.61847   5.581420 -0.1565533 8.380989 
1 1 1  -23    7   26 o 52.53084 2.001282  32.75147 1.698529   36.20000 3.500000   29.50000 3.300000   55.25848 2.765724   49.80320   2.893319 5.455284 4.002565 
1 1 1  -23    7   27 o 15.00474 4.420063  1.682192 1.816438  0.4000000 3.900000   2.800000 3.400000   14.06433 6.202606   15.94514   6.298850 -1.880808 8.840126 
1 1 1  -23    9    1 o 65.91112 1.930310  50.05000 2.050000   55.80000 4.100000   44.30000 4.100000   69.72045 2.567813   62.10179   2.882833 7.618664 3.860620 
1 1 1  -23    9    2 o 95.92169 1.613505  105.2550 2.475000   102.6000 4.500000   108.5000 5.500000   94.59435 2.077241   97.24902   2.469546 -2.654671 3.227009 
1 1 1  -23    9    3 o 242.3548 2.504220  674.5026 9.806616   663.5000 18.80000   686.5000 20.50000   240.3200 3.415920   244.3896   3.662780 -4.069626 5.008439 
1 1 1  -23    9    4 o 94.51129 1.716945  102.5029 2.622857   104.3000 5.100000   100.6000 5.400000   95.37024 2.335054   93.65235   2.517763 1.717888 3.433891 
1 1 1  -23    9    5 o 111.4699 1.734624  142.4064 3.108800   141.2000 5.800000   143.8000 6.700000   110.9728 2.282187   111.9669   2.612911 -0.9941711 3.469248 
1 1 1  -23    9    6 o 121.6473 1.551903  169.6795 3.036885   169.2000 6.500000   170.1000 5.700000   121.4763 2.336476   121.8183   2.043158 -0.3420029 3.103806 
1 1 1  -23    9    7 o 16.48562 4.403628  2.186154 1.624615   1.300000 3.200000   3.100000 3.300000   15.18238 6.074115   17.78886   6.377531 -2.606475 8.807257 
1 1 1  -23    9    8 o 108.5405 1.665849  134.9863 2.914530   133.2000 5.500000   137.0000 6.200000   107.7854 2.228141   109.2956   2.477015 -1.510231 3.331699 
1 1 1  -23    9    9 o 69.76813 1.773738  55.65500 1.980000   57.80000 4.400000   53.90000 3.600000   70.97665 2.706929   68.55960   2.292841 2.417053 3.547476 
1 1 1  -23    9   10 o 55.87879 1.865260  35.98806 1.665672   34.00000 3.600000   37.70000 3.100000   54.42481 2.888320   57.33278   2.361013 -2.907970 3.730520 
1 1 1  -23    9   11 o 117.6492 1.684675  158.9500 3.187500   156.4000 6.800000   161.2000 6.000000   116.7447 2.543381   118.5538   2.209915 -1.809082 3.369349 
1 1 1  -23    9   12 o 58.03275 2.008463  38.52400 1.834667   37.50000 3.200000   39.90000 4.300000   57.15743 2.444652   58.90807   3.187377 -1.750641 4.016926 
1 1 1  -23    9   13 o 81.97277 1.568984  77.32771 2.074699   70.80000 4.200000   83.70000 4.100000   78.53476 2.335216   85.41078   2.096094 -6.876022 3.137968 
1 1 1  -23    9   14 o 89.56175 1.607929  92.11506 2.311828   92.30000 4.300000   91.90000 5.000000   89.67755 2.093748   89.44595   2.440895 0.2316055 3.215859 
1 1 1  -23    9   15 o 26.97342 3.522707  8.842373 1.474576   5.500000 2.900000   12.30000 3.000000   21.33802 5.787899   32.60881   4.017223 -11.27079 7.045414 
1 1 1  -23    9   16 o 28.63659 3.704505  10.10769 1.615385   12.60000 3.000000   7.200000 3.500000   32.98712 3.971152   24.28606   6.254868 8.701059 7.409009 
1 1 1  -23    9   17 o 12.76520 3.843221 -0.1500000 1.355357  -1.300000 2.300000   1.500000 3.300000   10.10246 4.584300   15.42794   6.169733 -5.325484 7.686443 
1 1 1  -23    9   18 o 74.74837 1.757337  64.36353 2.122353   71.30000 4.400000   57.90000 4.100000   78.64385 2.443023   70.85288   2.526772 7.790970 3.514675 
1 1 1  -23    9   19 f 53.15332 2.097033  33.04507 1.774648   25.70000 3.500000   40.60000 3.600000   47.04171 3.248813   59.26493   2.652433 -12.22323 4.194066 
1 1 1  -23    9   20 o 33.94576 3.170801  14.43016 1.526984   16.70000 2.600000   11.20000 3.700000   37.87753 2.997308   30.01399   5.588564 7.863537 6.341601 
1 1 1  -23    9   21 o 23.69105 3.940801  7.368750 1.560938   9.900000 2.700000   3.900000 3.700000   28.84043 4.087914   18.54166   6.738592 10.29877 7.881603 
1 1 1  -23    9   22 o 21.81479 4.072260  6.254838 1.543548   3.700000 3.300000   8.500000 2.900000   17.71977 6.374909   25.90981   5.068898 -8.190037 8.144520 
1 1 1  -23    9   23 o 23.13258 4.316936  7.212121 1.625758   7.300000 2.900000   7.100000 3.700000   23.56774 5.477235   22.69743   6.674101 0.8703060 8.633871 
1 1 1  -23    9   24 o 25.05502 4.705835  8.917949 1.917949   8.700000 3.400000   9.200000 4.400000   25.15855 5.987640   24.95150   7.261384 0.2070522 9.411671 
1 1 1  -23    9   25 o 30.73630 3.264686  12.09538 1.624615   12.40000 3.300000   11.80000 3.200000   31.10653 4.632358   30.36608   4.601516 0.7404442 6.529372 
1 1 1  -23   11    1 o 47.58161 2.242837  26.22464 1.715942   26.60000 3.700000   25.90000 3.200000   47.85984 3.375749   47.30338   2.953912 0.5564651 4.485675 
1 1 1  -23   11    2 o 14.96696 4.019039  1.287097 1.470968   3.300000 2.400000  -1.900000 3.800000   16.89185 5.450366   13.04207   5.907977 3.849777 8.038077 
1 1 1  -23   11    3 o 53.48647 2.001141  33.08696 1.724638   37.50000 3.500000   28.80000 3.400000   57.03188 2.679724   49.94106   2.972767 7.090828 4.002282 
1 1 1  -23   11    4 o 16.20058 4.116601  2.051613 1.535484 -0.8000000 3.400000   4.400000 2.800000   13.17181 5.801085   19.22936   5.842350 -6.057546 8.233203 
1 1 1  -23   11    5 o 76.48943 1.735914  67.33488 2.148837   68.00000 4.400000   66.70000 4.200000   76.85107 2.500014   76.12778   2.409050 0.7232895 3.471829 
1 1 1  -23   11    6 o 13.83525 4.162266 -1.250000 1.800000  -4.800000 3.600000   2.300000 3.600000   10.77406 5.153795   16.89645   6.537296 -6.122388 8.324533 
1 1 1  -23   11    7 o 56.56387 2.026976  36.90811 1.837838   37.00000 3.400000   36.80000 4.000000   56.67388 2.619604   56.45387   3.093898 0.2200089 4.053953 
1 1 1  -23   11    8 o 50.31019 2.246507  29.29315 1.821918   30.30000 3.500000   28.20000 3.800000   51.23983 2.982635   49.38055   3.360217 1.859276 4.493014 
1 1 1  -23   11    9 o 41.47309 2.382632  19.89063 1.598437   19.60000 3.100000   20.20000 3.300000   41.17062 3.287865   41.77556   3.449303 -0.6049461 4.765265 
1 1 1  -23   11   10 o 14.88309 4.241557  1.276191 1.571429   1.800000 3.300000  0.8000000 3.000000   15.76581 6.212665   14.00037   5.776332 1.765441 8.483113 
1 1 1  -23   11   11 o 47.39523 2.159668  25.91515 1.625758   25.30000 2.900000   26.70000 3.700000   46.81071 2.705157   47.97976   3.367312 -1.169041 4.319336 
1 1 1  -23   11   12 o 31.45815 2.649978  11.47407 1.342593   9.900000 2.500000   13.30000 2.900000   29.14074 3.746097   33.77556   3.749171 -4.634815 5.299955 
1 1 1  -23   11   13 o 51.52039 2.082788  30.80580 1.707246   31.30000 3.100000   30.20000 3.800000   52.04659 2.600813   50.99419   3.253888 1.052391 4.165575 
1 1 1  -23   11   14 o 17.69522 4.203113  2.854545 1.648485   6.200000 3.200000 -0.7000000 3.400000   22.27188 6.096072   13.11857   5.788138 9.153311 8.406226 
1 1 1  -23   11   15 o 26.43888 4.379193  8.816216 1.837838   7.300000 3.400000   10.60000 4.000000   23.96426 6.161038   28.91349   6.225024 -4.949230 8.758386 
1 1 1  -23   11   16 o 25.20973 4.069687  8.100000 1.621538   8.100000 3.400000   8.100000 3.100000   25.11996 5.993748   25.29950   5.506758 -0.1795464 8.139374 
1 1 1  -23   11   17 o 16.96153 4.337193  2.656522 1.681159   4.800000 2.900000 -0.3000000 4.000000   19.54066 5.947732   14.38241   6.314227 5.158247 8.674386 
1 1 1  -23   11   18 o 56.78545 1.980959  37.10274 1.767123   32.50000 3.000000   43.70000 4.300000   52.74186 2.483737   60.82903   3.086720 -8.087177 3.961917 
1 1 1  -23   11   19 o 61.72539 2.040048  45.11729 2.024691   51.90000 4.100000   38.50000 4.000000   66.44207 2.694514   57.00871   3.063787 9.433361 4.080097 
1 1 1  -23   11   20 o 24.12461 4.586245  8.281081 1.848649   9.400000 3.600000   7.100000 3.800000   26.04784 6.135923   22.20137   6.817992 3.846466 9.172490 
1 1 1  -23   11   21 o 33.21944 3.115522  13.78806 1.674627   13.00000 3.300000   14.60000 3.400000   32.21308 4.473232   34.22581   4.337753 -2.012737 6.231044 
1 1 1  -23   11   22 o 15.52729 4.523397 0.7530121 2.060241  -4.100000 3.800000   6.500000 4.500000   10.71145 5.167632   20.34313   7.425636 -9.631673 9.046794 
1 1 1  -23   13    1 o 17.42676 4.094371  3.410938 1.560938   5.900000 2.700000   0.000000 3.700000   21.12498 5.519887   13.72854   6.048664 7.396437 8.188742 
1 1 1  -23   13    2 o 15.78580 4.182675  1.865079 1.526984 -0.9000000 2.600000   5.800000 3.700000   10.87049 4.908944   20.70111   6.773577 -9.830626 8.365350 
1 1 1  -23   13    3 o 17.75675 4.466398  3.178205 1.867949   6.000000 3.100000  -1.100000 4.700000   21.10813 6.081245   14.40538   6.543187 6.702751 8.932796 
1 1 1  -23   13    4 o 28.11416 4.639902  10.70241 2.050602   9.900000 3.700000   11.70000 4.600000   27.21428 6.088908   29.01405   7.002855 -1.799772 9.279804 
1 1 1  -23   13    5 f 29.41020 3.976152  11.58333 1.787500   14.70000 3.300000   7.900000 3.900000   34.82211 4.138077   23.99829   6.790835 10.82381 7.952303 
1 1 1  -23   13    6 o 19.75537 4.394435  4.801538 1.578462   2.600000 2.700000   7.900000 3.800000   15.42229 5.730640   24.08846   6.663633 -8.666169 8.788871 
1 1 1  -23   13    7 f 28.69443 3.125049  10.05517 1.448276   10.20000 2.800000   9.900000 3.000000   28.98778 4.217770   28.40109   4.612390 0.5866890 6.250098 
1 1 1  -23   13    8 o 18.52991 4.553648  4.346269 1.665672   4.400000 3.600000   4.300000 3.100000   18.71162 6.666115   18.34821   6.205299 0.3634033 9.107295 
1 1 1  -23   13    9 o 13.05928 4.253931 -1.845783 2.060241  -1.800000 3.800000  -1.900000 4.500000   12.51468 5.758825   13.60389   6.262560 -1.089212 8.507862 
1 1 1  -23   13   10 o 19.65240 4.756266  4.933766 1.922078   2.700000 4.000000   7.000000 3.700000   16.78715 6.764530   22.51764   6.688005 -5.730497 9.512532 
1 1 1  -23   13   11 o 35.19196 3.251272  14.97606 1.588732   14.30000 2.400000   16.30000 4.700000   34.76352 3.014583   35.62040   5.761542 -0.8568840 6.502543 
1 1 1  -23   13   12 o 15.62378 4.349144  2.223881 1.674627  0.6000000 3.400000   3.800000 3.300000   13.74789 5.930299   17.49968   6.363313 -3.751784 8.698287 
1 1 1  -23   13   13 o 12.89766 4.122023 -1.398701 1.922078   1.100000 3.700000  -4.100000 4.000000   14.49756 6.219113   11.29775   5.411739 3.199806 8.244045 
1 1 1  -23   13   14 o 23.55047 4.933734  8.054321 2.009876   8.100000 3.700000   8.000000 4.400000   23.87196 6.563748   23.22898   7.367777 0.6429844 9.867468 
1 1 1  -23   13   15 o 15.18722 4.600913  1.362963 2.022222   1.000000 4.200000   1.700000 3.900000   15.04361 6.539946   15.33083   6.473229 -0.2872238 9.201825 
1 1 1  -23   13   16 o 12.22272 4.022405 -1.838961 1.916883  -2.400000 3.600000  -1.200000 4.100000   11.43226 5.374805   13.01319   5.985854 -1.580929 8.044810 
1 1 1  -23   13   17 o 17.21301 4.453628  4.076923 1.615385   3.200000 3.000000   5.100000 3.500000   15.80029 6.004059   18.62572   6.579551 -2.825429 8.907256 
1 1 1  -22    0    1 o 490.2743 7.958112  2758.300 89.30000   2758.300 89.30000   2758.300 89.30000   490.2743 7.958112   490.2743   7.958112 0.000000 0.000000 
1 1 1  -22    0    2 o 201.1252 3.758907  463.8000 17.30000   463.8000 17.30000   463.8000 17.30000   201.1252 3.758907   201.1252   3.758907 0.000000 0.000000 
1 1 1  -22    0    3 o 312.8592 5.265135  1122.500 37.70000   1122.500 37.70000   1122.500 37.70000   312.8592 5.265135   312.8592   5.265135 0.000000 0.000000 
1 1 1  -22    0    4 o 420.2923 4.790890  2024.700 46.10000   2024.700 46.10000   2024.700 46.10000   420.2923 4.790890   420.2923   4.790890 0.000000 0.000000 
1 1 1  -22    0    5 o 290.4585 3.368489  966.7000 22.40000   966.7000 22.40000   966.7000 22.40000   290.4585 3.368489   290.4585   3.368489 0.000000 0.000000 
1 1 1  -22    0    6 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -22    0    7 o 490.8952 5.605561  2762.500 63.00000   2762.500 63.00000   2762.500 63.00000   490.8952 5.605561   490.8952   5.605561 0.000000 0.000000 
1 1 1  -22    0    8 o 159.2770 2.221581  290.7000 8.100000   290.7000 8.100000   290.7000 8.100000   159.2770 2.221581   159.2770   2.221581 0.000000 0.000000 
1 1 1  -22    0    9 o 208.4969 2.660744  498.1000 12.70000   498.1000 12.70000   498.1000 12.70000   208.4969 2.660744   208.4969   2.660744 0.000000 0.000000 
1 1 1  -22    0   10 o 181.3388 2.505354  376.8000 10.40000   376.8000 10.40000   376.8000 10.40000   181.3388 2.505354   181.3388   2.505354 0.000000 0.000000 
1 1 1  -22    0   11 f 280.8958 3.654500  904.2000 23.50000   904.2000 23.50000   904.2000 23.50000   280.8958 3.654500   280.8958   3.654500 0.000000 0.000000 
1 1 1  -22    0   12 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -22    0   13 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -22    0   14 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -22    0   15 o 184.7404 2.648481  391.1000 11.20000   391.1000 11.20000   391.1000 11.20000   184.7404 2.648481   184.7404   2.648481 0.000000 0.000000 
1 1 1  -22    0   16 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -22    0   17 o 97.06237 1.800885  108.0000 4.000000   108.0000 4.000000   108.0000 4.000000   97.06237 1.800885   97.06237   1.800885 0.000000 0.000000 
1 1 1  -22    0   18 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -22    0   19 o 180.2201 2.739309  372.3000 11.30000   372.3000 11.30000   372.3000 11.30000   180.2201 2.739309   180.2201   2.739309 0.000000 0.000000 
1 1 1  -22    0   20 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -22    0   21 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -22    0   22 o 290.2518 3.641951  966.9000 24.20000   966.9000 24.20000   966.9000 24.20000   290.2518 3.641951   290.2518   3.641951 0.000000 0.000000 
1 1 1  -22    0   23 o 95.12240 2.252180  103.9000 4.900000   103.9000 4.900000   103.9000 4.900000   95.12240 2.252180   95.12240   2.252180 0.000000 0.000000 
1 1 1  -22    0   24 o 7.466660 5.093092 -1.600000 2.700000  -1.600000 2.700000  -1.600000 2.700000   7.466660 5.093092   7.466660   5.093092 0.000000 0.000000 
1 1 1  -22    0   25 o 8.247812 5.348320 -0.1000000 2.400000 -0.1000000 2.400000 -0.1000000 2.400000   8.247812 5.348320   8.247812   5.348320 0.000000 0.000000 
1 1 1  -22    0   26 o 27.88762 5.449392  10.00000 3.100000   10.00000 3.100000   10.00000 3.100000   27.88762 5.449392   27.88762   5.449392 0.000000 0.000000 
1 1 1  -22    0   27 o 28.38698 3.353248  9.700000 2.100000   9.700000 2.100000   9.700000 2.100000   28.38698 3.353248   28.38698   3.353248 0.000000 0.000000 
1 1 1  -22    0   28 o 7.984406 5.472183 -1.900000 3.200000  -1.900000 3.200000  -1.900000 3.200000   7.984406 5.472183   7.984406   5.472183 0.000000 0.000000 
1 1 1  -22    0   29 o 45.81816 3.675905  25.10000 3.800000   25.10000 3.800000   25.10000 3.800000   45.81816 3.675905   45.81816   3.675905 0.000000 0.000000 
1 1 1  -22    0   30 o 72.51933 3.022557  61.80000 5.000000   61.80000 5.000000   61.80000 5.000000   72.51933 3.022557   72.51933   3.022557 0.000000 0.000000 
1 1 1  -22    2    1 o 150.3221 1.677821  256.7393 3.615190   251.6000 5.600000   266.1000 10.20000   148.2243 1.649713   152.4200   2.922119 -4.195709 3.355642 
1 1 1  -22    2    2 o 258.1963 2.659852  760.0538 9.814452   750.7000 15.20000   777.1000 27.70000   256.0079 2.592567   260.3847   4.645196 -4.376831 5.319704 
1 1 1  -22    2    3 o 23.73038 1.380325  6.521053 0.3684210   6.600000 0.5000000   6.300000 1.400000   24.00767 0.9094098   23.45308   2.606561 0.5545940 2.760649 
1 1 1  -22    2    4 o 368.4201 3.480543  1553.715 18.47291   1548.700 28.90000   1562.600 51.20000   367.6826 3.432136   369.1576   6.056168 -1.474976 6.961087 
1 1 1  -22    2    5 o 90.07279 1.353748  94.28571 1.885714   84.80000 4.400000   101.4000 3.300000   86.04720 2.232830   94.09838   1.531339 -8.051178 2.707495 
1 1 1  -22    2    6 o 456.1097 5.581537  2388.364 41.21043   2414.700 84.00000   2363.000 80.90000   458.5606 7.998752   453.6588   7.786797 4.901794 11.16307 
1 1 1  -22    2    7 o 220.8185 1.936566  558.4101 6.922744   566.3000 14.10000   550.8000 13.60000   222.3497 2.768995   219.2873   2.708103 3.062469 3.873133 
1 1 1  -22    2    8 f 149.2161 1.471043  255.0930 3.543662   257.2000 6.800000   252.8000 7.400000   149.8609 1.981346   148.5712   2.174887 1.289642 2.942085 
1 1 1  -22    2    9 o 485.0018 3.994823  2696.706 31.37498   2704.200 62.70000   2689.200 62.80000   485.6775 5.637146   484.3260   5.661891 1.351410 7.989645 
1 1 1  -22    2   10 o 293.7584 4.964734  989.2000 33.40000   989.2000 33.40000          ?        ?   293.7584 4.964734          ?          ?       ?       ? 
1 1 1  -22    2   11 o 147.9542 2.095418  0.000000 0.000000          ?        ?   250.7000 7.100000          ?        ?   147.9542   2.095418       ?       ? 
1 1 1  -22    2   12 o 292.6401 3.804925  0.000000 0.000000          ?        ?   981.1000 25.50000          ?        ?   292.6401   3.804925       ?       ? 
1 1 1  -22    2   13 o 280.1385 3.366826  0.000000 0.000000          ?        ?   899.0000 21.60000          ?        ?   280.1385   3.366826       ?       ? 
1 1 1  -22    2   14 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -22    2   15 o 201.2097 2.351077  460.1848 7.287789   483.9000 18.10000   444.2000 12.20000   205.4967 3.846037   196.9228   2.705226 8.573868 4.702154 
1 1 1  -22    2   16 o 285.3694 3.224874  936.8633 14.17162   915.4000 34.40000   951.9000 24.10000   282.5212 5.316761   288.2175   3.651206 -5.696350 6.449749 
1 1 1  -22    2   17 o 519.7767 6.183021  3102.300 73.60000   3102.300 73.60000          ?        ?   519.7767 6.183021          ?          ?       ?       ? 
1 1 1  -22    2   18 o 173.0830 1.964625  344.7838 5.232870   351.5000 8.900000   335.2000 12.70000   175.1619 2.218656   171.0041   3.242925 4.157822 3.929249 
1 1 1  -22    2   19 o 226.0527 2.425654  582.4547 8.090463   572.5000 12.90000   599.2000 21.70000   223.5340 2.519914   228.5714   4.145506 -5.037399 4.851308 
1 1 1  -22    2   20 o 215.4510 2.679711  525.8067 7.988858   511.4000 12.00000   554.5000 23.90000   211.2307 2.480640   219.6713   4.750772 -8.440598 5.359423 
1 1 1  -22    2   21 o 237.4392 2.516700  648.7426 8.885106   653.3000 14.40000   641.4000 23.20000   238.6782 2.634446   236.2001   4.288916 2.478104 5.033400 
1 1 1  -22    2   22 o 233.7986 2.569091  625.4503 8.652925   617.3000 13.50000   640.0000 24.10000   231.9419 2.541524   235.6552   4.465599 -3.713303 5.138183 
1 1 1  -22    2   23 o 65.92796 1.738846  49.61892 1.816216   47.50000 3.200000   52.40000 4.200000   64.33174 2.172023   67.52417   2.716000 -3.192429 3.477691 
1 1 1  -22    2   24 o 30.85249 2.884327  11.11053 1.421053   12.20000 2.700000   9.900000 3.000000   32.49783 3.627848   29.20716   4.485096 3.290674 5.768653 
1 1 1  -22    2   25 o 42.40058 2.295478  20.73651 1.565079   20.00000 2.900000   21.60000 3.400000   41.61030 3.043245   43.19086   3.437374 -1.580563 4.590956 
1 1 1  -22    2   26 o 55.97128 1.853443  36.55909 1.625758   38.80000 2.900000   33.70000 3.700000   58.02204 2.182452   53.92051   2.996315 4.101524 3.706885 
1 1 1  -22    2   27 o 38.02598 3.310190  16.50976 1.902439   13.40000 3.000000   21.90000 5.200000   33.64752 3.893210   42.40444   5.354658 -8.756916 6.620381 
1 1 1  -22    2   28 o 37.37403 3.506492  16.91786 2.003572   15.70000 3.300000   18.80000 5.100000   36.15603 3.985409   38.59204   5.770483 -2.436005 7.012985 
1 1 1  -22    2   29 f 13.92820 4.220543 0.8901408 1.588732   1.600000 2.400000 -0.5000000 4.700000   13.29069 5.278810   14.56571   6.586812 -1.275023 8.441086 
1 1 1  -22    2   30 o 16.96232 4.839661  2.901234 1.832099   1.000000 2.800000   6.500000 5.300000   13.01644 5.489844   20.90821   7.971881 -7.891773 9.679322 
1 1 1  -22    4    1 o 320.3580 2.780712  1174.912 14.40208   1204.600 30.00000   1147.500 27.70000   324.2418 4.040099   316.4742   3.821916 7.767548 5.561424 
1 1 1  -22    4    2 o 388.9069 3.230897  1731.791 20.32592   1787.700 42.10000   1679.600 39.30000   394.9652 4.654392   382.8486   4.482345 12.11661 6.461794 
1 1 1  -22    4    3 o 340.2244 3.563144  1321.744 18.49158   1351.800 46.50000   1301.900 30.70000   343.3614 5.913454   337.0875   3.976816 6.273895 7.126289 
1 1 1  -22    4    4 o 363.0605 3.757329  1510.344 21.05069   1514.000 51.30000   1507.800 35.70000   363.3684 6.164670   362.7527   4.297316 0.6157837 7.514658 
1 1 1  -22    4    5 o 314.8784 3.313561  1134.322 16.32855   1148.400 38.60000   1124.000 28.30000   316.5346 5.324831   313.2222   3.945241 3.312378 6.627122 
1 1 1  -22    4    6 o 113.6958 1.303472  147.9906 2.398958   145.2000 4.700000   150.9000 4.900000   112.6016 1.822608   114.7901   1.863937 -2.188591 2.606944 
1 1 1  -22    4    7 f 183.0851 1.661177  383.9020 4.924873   384.3000 9.800000   383.5000 9.900000   183.1807 2.336071   182.9896   2.362373 0.1911316 3.322354 
1 1 1  -22    4    8 o 480.8107 3.852824  2649.268 29.98992   2594.000 58.90000   2706.600 61.10000   475.7072 5.406489   485.9142   5.490619 -10.20703 7.705648 
1 1 1  -22    4    9 o 291.4386 2.468333  972.6047 11.64464   940.9000 22.80000   1005.700 23.80000   286.5871 3.473905   296.2901   3.507514 -9.703033 4.936666 
1 1 1  -22    4   10 o 590.2522 6.740617  3967.137 63.76017   3576.600 115.0000   4453.100 143.1000   558.0478 8.998418   622.4566   10.03853 -64.40881 13.48123 
1 1 1  -22    4   11 o 258.0393 2.273872  762.8168 9.498947   756.4000 19.20000   769.1000 18.80000   256.9637 3.262640   259.1149   3.168145 -2.151245 4.547743 
1 1 1  -22    4   12 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -22    4   13 o 290.2149 3.118395  967.1974 14.39536   948.5000 32.10000   982.4000 26.10000   287.6356 4.873064   292.7943   3.892402 -5.158661 6.236790 
1 1 1  -22    4   14 o 274.9257 2.409230  865.9273 10.72028   871.9000 21.90000   860.2000 21.00000   275.8512 3.466642   274.0002   3.346633 1.850952 4.818460 
1 1 1  -22    4   15 o 237.1731 2.115490  644.4453 8.124308   633.2000 16.10000   655.9000 16.40000   235.0848 2.990481   239.2614   2.993029 -4.176620 4.230980 
1 1 1  -22    4   16 o 180.8794 1.853033  375.0027 5.424885   363.5000 10.90000   386.4000 10.80000   178.1148 2.672183   183.6441   2.567950 -5.529236 3.706066 
1 1 1  -22    4   17 f 90.48578 1.535606  93.77778 2.248889   94.80000 4.600000   92.80000 4.400000   90.96742 2.208064   90.00414   2.134666 0.9632874 3.071213 
1 1 1  -22    4   18 o 46.41948 2.062001  24.70000 1.550000   24.80000 3.100000   24.60000 3.100000   46.51355 2.910194   46.32541   2.922013 0.1881332 4.124002 
1 1 1  -22    4   19 o 294.9437 2.757643  998.7703 13.11274   1001.800 24.90000   995.4000 27.70000   295.4565 3.679981   294.4309   4.108054 1.025574 5.515285 
1 1 1  -22    4   20 o 122.9601 1.673111  172.8331 3.293233   167.6000 6.000000   179.2000 7.300000   120.9161 2.166741   125.0042   2.549988 -4.088089 3.346222 
1 1 1  -22    4   21 o 22.73886 4.247998  6.189063 1.560938   6.400000 2.700000   5.900000 3.700000   23.08181 5.228971   22.39590   6.696254 0.6859112 8.495996 
1 1 1  -22    4   22 f 73.09062 1.569872  61.48784 1.844595   63.90000 3.500000   58.80000 3.900000   74.62376 2.048003   71.55749   2.379848 3.066277 3.139744 
1 1 1  -22    4   23 o 101.9456 1.468020  119.2406 2.348958   118.6000 4.100000   120.1000 5.500000   101.6664 1.760946   102.2248   2.349340 -0.5584412 2.936040 
1 1 1  -22    4   24 o 49.40236 2.089477  26.52836 1.510448   22.10000 2.300000   35.00000 4.400000   43.82626 2.291570   54.97847   3.494619 -11.15221 4.178954 
1 1 1  -22    4   25 o 81.37857 1.492547  76.52564 1.929487   78.50000 3.500000   74.10000 4.300000   82.60816 1.850055   80.14898   2.342665 2.459183 2.985094 
1 1 1  -22    4   26 f 52.27404 2.275607  31.76164 1.610959   31.40000 2.400000   32.50000 4.900000   52.15261 2.009439   52.39546   4.083590 -0.2428474 4.551215 
1 1 1  -22    4   27 o 58.38705 1.939668  39.23750 1.687500   37.40000 2.700000   42.30000 4.500000   56.83157 2.074502   59.94254   3.278061 -3.110966 3.879335 
1 1 1  -22    4   28 o 19.17985 4.378965  4.796774 1.509677   4.000000 2.600000   5.900000 3.600000   17.58228 5.672898   20.77743   6.672297 -3.195154 8.757930 
1 1 1  -22    4   29 f 13.50621 4.229015 0.4521739 1.460870 -0.4000000 2.100000   2.400000 4.800000   10.11266 4.500885   16.89976   7.161027 -6.787096 8.458030 
1 1 1  -22    6    1 o 329.5294 2.858105  1244.818 15.24590   1242.900 30.00000   1246.800 31.00000   329.2773 3.978316   329.7816   4.104639 -0.5043945 5.716210 
1 1 1  -22    6    2 o 136.3585 1.589861  213.2629 3.488571   217.6000 6.600000   208.4000 7.400000   137.8340 2.090872   134.8831   2.395598 2.950882 3.179723 
1 1 1  -22    6    3 o 367.6393 3.170573  1549.342 18.87417   1580.900 38.00000   1518.200 37.50000   371.3601 4.468153   363.9185   4.499527 7.441620 6.341146 
1 1 1  -22    6    4 o 231.7487 2.159267  615.4877 8.098765   626.5000 16.00000   604.2000 16.40000   233.8510 2.987587   229.6463   3.118344 4.204636 4.318535 
1 1 1  -22    6    5 o 28.92726 2.348962  9.758140 1.069767   11.20000 2.000000   8.100000 2.300000   31.26814 2.792979   26.58639   3.777532 4.681747 4.697924 
1 1 1  -22    6    6 f 167.4156 1.788003  320.9860 4.778238   320.4000 8.700000   321.7000 10.60000   167.2517 2.271373   167.5795   2.762007 -0.3277893 3.576005 
1 1 1  -22    6    7 o 222.8874 2.188589  568.7737 7.892088   554.2000 15.30000   584.3000 16.30000   219.9427 3.037538   225.8322   3.151675 -5.889511 4.377179 
1 1 1  -22    6    8 f 341.1595 2.874057  1333.828 15.86614   1339.100 32.50000   1328.800 31.00000   341.8113 4.151802   340.5076   3.975343 1.303741 5.748114 
1 1 1  -22    6    9 o 87.10281 1.384885  86.78461 1.938461   85.40000 3.600000   88.40000 4.200000   86.35226 1.820407   87.85335   2.087520 -1.501083 2.769769 
1 1 1  -22    6   10 o 253.4157 2.230090  735.8345 9.147541   737.9000 18.00000   733.7000 18.60000   253.7801 3.097096   253.0514   3.209549 0.7286987 4.460180 
1 1 1  -22    6   11 o 200.0589 1.983210  458.5401 6.424902   456.0000 12.80000   461.1000 12.90000   199.5028 2.801565   200.6151   2.807798 -1.112289 3.966421 
1 1 1  -22    6   12 o 80.57941 1.360031  74.27747 1.771831   71.50000 3.400000   77.30000 3.700000   79.00892 1.879068   82.14989   1.966684 -3.140968 2.720063 
1 1 1  -22    6   13 o 95.47021 1.814357  104.0306 2.693694   106.9000 6.500000   102.0000 4.600000   96.58041 2.938759   94.36002   2.128676 2.220390 3.628714 
1 1 1  -22    6   14 o 36.53265 2.244738  15.26226 1.313208   14.90000 2.400000   15.70000 2.900000   36.05790 2.906368   37.00740   3.421757 -0.9495010 4.489476 
1 1 1  -22    6   15 o 49.70018 1.707659  28.22182 1.370909   26.00000 2.600000   30.70000 2.900000   47.63713 2.383238   51.76323   2.446337 -4.126099 3.415317 
1 1 1  -22    6   16 o 26.26793 3.349696  8.072727 1.352727   9.200000 3.100000   7.200000 2.400000   27.86609 5.043306   24.66977   4.409867 3.196318 6.699392 
1 1 1  -22    6   17 o 277.9233 2.610443  885.9400 11.73638   858.7000 22.70000   915.1000 24.30000   273.5163 3.623951   282.3302   3.758275 -8.813904 5.220886 
1 1 1  -22    6   18 o 178.5902 1.955000  366.0854 5.648230   358.3000 11.50000   373.6000 11.10000   176.7137 2.841628   180.4667   2.685750 -3.752945 3.910001 
1 1 1  -22    6   19 o 126.3515 1.833700  183.1920 3.744000   184.7000 7.800000   181.8000 7.200000   126.8404 2.685201   125.8625   2.497904 0.9778519 3.667401 
1 1 1  -22    6   20 f 110.8789 1.531793  141.0964 2.749091   141.3000 5.600000   140.9000 5.400000   110.9530 2.203883   110.8048   2.128016 0.1482468 3.063585 
1 1 1  -22    6   21 o 129.0883 1.723256  191.5931 3.597222   193.1000 7.000000   190.0000 7.400000   129.6264 2.358003   128.5502   2.513615 1.076218 3.446511 
1 1 1  -22    6   22 o 39.56851 2.501978  18.13175 1.565079   12.70000 2.900000   24.50000 3.400000   33.09095 3.826736   46.04607   3.224231 -12.95512 5.003955 
1 1 1  -22    6   23 o 62.26981 2.012923  44.93457 2.024691   42.10000 4.100000   47.70000 4.000000   60.29847 2.969048   64.24113   2.718858 -3.942661 4.025846 
1 1 1  -22    6   24 o 52.33337 2.481197  31.95238 2.095238   28.00000 4.000000   36.30000 4.400000   48.92272 3.570172   55.74401   3.446626 -6.821293 4.962395 
1 1 1  -22    6   25 o 19.00005 3.896217  4.040625 1.560938   7.500000 2.700000 -0.7000000 3.700000   24.50295 4.981285   13.49716   5.992398 11.00579 7.792434 
1 1 1  -22    6   26 o 16.50022 4.421776  2.269014 1.771831   5.500000 3.700000 -0.7000000 3.400000   20.32258 6.779591   12.67786   5.678518 7.644721 8.843553 
1 1 1  -22    6   27 o 24.83392 3.908673  8.792308 1.578462   4.700000 3.800000   11.70000 2.700000   18.72935 6.825649   30.93849   3.810696 -12.20914 7.817346 
1 1 1  -22    6   28 o 17.07397 4.745946  3.072727 1.781818   1.000000 2.800000   6.700000 4.900000   13.01579 5.489722   21.13214   7.743317 -8.116344 9.491892 
1 1 1  -22    8    1 o 160.5006 1.868688  295.3258 4.837113   294.8000 10.20000   295.8000 9.200000   160.3555 2.777513   160.6458   2.500681 -0.2902832 3.737376 
1 1 1  -22    8    2 o 50.20435 2.100282  28.91940 1.611940   29.00000 2.700000   28.80000 4.000000   50.30394 2.343697   50.10476   3.485946 0.1991768 4.200563 
1 1 1  -22    8    3 o 159.3984 1.706587  291.4000 4.400000   275.2000 8.800000   307.6000 8.800000   154.9606 2.479712   163.8362   2.345376 -8.875656 3.413174 
1 1 1  -22    8    4 o 137.0312 1.599820  215.1282 3.549296   213.6000 7.000000   216.7000 7.200000   136.5385 2.238632   137.5239   2.286093 -0.9854431 3.199640 
1 1 1  -22    8    5 o 130.6165 2.309609  196.3333 4.666667   200.0000 8.000000   191.2000 11.20000   132.1111 2.644176   129.1218   3.787547 2.989273 4.619218 
1 1 1  -22    8    6 o 231.6861 2.704475  614.0282 9.957425   602.0000 17.80000   629.3000 22.60000   229.1543 3.391812   234.2179   4.213355 -5.063660 5.408950 
1 1 1  -22    8    7 o 316.9675 2.850639  1152.554 14.61539   1146.400 30.00000   1158.400 28.50000   316.1271 4.143805   317.8079   3.915794 -1.680817 5.701277 
1 1 1  -22    8    8 f 83.00772 1.758109  79.28191 2.345745   84.50000 4.500000   73.60000 4.900000   85.87722 2.288096   80.13821   2.669907 5.739006 3.516218 
1 1 1  -22    8    9 o 192.8958 2.024501  426.1344 6.316996   410.8000 12.20000   442.6000 13.10000   189.3043 2.814097   196.4872   2.911232 -7.182861 4.049001 
1 1 1  -22    8   10 o 305.0919 2.781457  1069.096 13.71184   1047.600 28.30000   1089.300 26.60000   302.0855 4.090687   308.0982   3.769921 -6.012634 5.562915 
1 1 1  -22    8   11 o 79.11661 1.678423  71.40930 2.131395   67.60000 3.900000   76.00000 4.700000   76.80510 2.217248   81.42812   2.520363 -4.623024 3.356847 
1 1 1  -22    8   12 o 197.3131 2.057461  445.9266 6.563498   430.5000 12.60000   462.7000 13.70000   193.7622 2.839495   200.8640   2.978230 -7.101761 4.114922 
1 1 1  -22    8   13 o 102.0790 1.603202  119.4500 2.650000   118.0000 5.300000   120.9000 5.300000   101.4587 2.281005   102.6992   2.253453 -1.240509 3.206405 
1 1 1  -22    8   14 o 72.10876 1.413476  59.59091 1.648485   59.90000 3.400000   59.30000 3.200000   72.28823 2.053766   71.92929   1.942602 0.3589401 2.826952 
1 1 1  -22    8   15 o 65.43810 1.737519  49.44110 1.824658   42.70000 3.700000   56.00000 3.600000   60.99901 2.648614   69.87718   2.249608 -8.878174 3.475038 
1 1 1  -22    8   16 o 79.11228 1.667819  71.62353 2.089412   70.10000 3.700000   73.60000 4.800000   78.17069 2.066795   80.05387   2.618175 -1.883179 3.335638 
1 1 1  -22    8   17 o 87.20474 1.720814  87.40928 2.418557   88.50000 4.600000   86.20000 5.100000   87.79435 2.287868   86.61513   2.571083 1.179222 3.441629 
1 1 1  -22    8   18 o 170.2594 1.931352  333.5028 5.323944   330.2000 10.50000   336.9000 10.80000   169.4119 2.706357   171.1070   2.756105 -1.695099 3.862704 
1 1 1  -22    8   19 o 132.0618 1.741644  200.5987 3.720805   194.8000 7.200000   206.8000 7.700000   130.1012 2.416522   134.0223   2.508727 -3.921066 3.483287 
1 1 1  -22    8   20 o 12.91447 4.131076 -1.800000 1.848649  -1.800000 3.600000  -1.800000 3.800000   12.70866 5.754261   13.12029   5.928881 -0.4116325 8.262152 
1 1 1  -22    8   21 o 53.78490 1.978812  33.32174 1.715942   30.40000 3.200000   36.70000 3.700000   51.26885 2.725437   56.30094   2.869629 -5.032093 3.957623 
1 1 1  -22    8   22 o 39.40461 2.789899  18.96269 1.611940   21.30000 2.700000   15.50000 4.000000   42.81991 2.753326   35.98930   4.853179 6.830612 5.579799 
1 1 1  -22    8   23 o 20.30701 3.323302  4.601923 1.282692  0.4000000 2.300000   9.900000 2.900000   11.83160 4.982077   28.78241   4.399573 -16.95081 6.646603 
1 1 1  -22    8   24 o 34.19820 3.317339  14.89130 1.721739   11.50000 3.600000   18.00000 3.300000   29.73448 5.488873   38.66191   3.727093 -8.927437 6.634678 
1 1 1  -22    8   25 o 25.81317 4.013531  9.445070 1.766197   14.00000 3.300000   4.200000 3.800000   33.55635 4.294168   18.06999   6.781877 15.48636 8.027062 
1 1 1  -22    8   26 o 18.06117 4.694011  4.246575 1.821918   5.600000 3.800000   3.000000 3.500000   19.85198 6.866166   16.27036   6.402399 3.581623 9.388021 
1 1 1  -22   10    1 o 38.76651 2.668098  17.34627 1.674627   17.10000 3.300000   17.60000 3.400000   38.48964 3.743775   39.04338   3.802517 -0.5537376 5.336196 
1 1 1  -22   10    2 o 103.6215 1.851823  123.5258 3.092742   126.0000 5.900000   120.8000 6.500000   104.7349 2.459804   102.5082   2.768818 2.226669 3.703645 
1 1 1  -22   10    3 o 93.89929 1.745190  101.3500 2.650000   107.5000 5.300000   95.20000 5.300000   96.75921 2.391791   91.03938   2.542063 5.719826 3.490380 
1 1 1  -22   10    4 o 39.30406 3.152329  16.95432 1.913580   12.40000 3.100000   24.30000 5.000000   32.77948 4.129517   45.82863   4.764012 -13.04915 6.304658 
1 1 1  -22   10    5 o 52.49335 2.268377  31.62631 1.835526   31.30000 3.100000   32.10000 4.500000   52.20394 2.592973   52.78275   3.722718 -0.5788078 4.536755 
1 1 1  -22   10    6 o 73.17780 1.821172  61.46279 2.131395   61.10000 3.900000   61.90000 4.700000   72.95908 2.334130   73.39653   2.796160 -0.4374542 3.642344 
1 1 1  -22   10    7 o 52.95045 2.219642  32.19868 1.888158   31.60000 3.500000   32.90000 4.100000   52.43283 2.914771   53.46808   3.348336 -1.035255 4.439284 
1 1 1  -22   10    8 o 88.06036 1.753355  89.01200 2.499000   84.70000 4.900000   93.50000 5.100000   85.88353 2.491299   90.23718   2.467882 -4.353653 3.506710 
1 1 1  -22   10    9 o 67.48605 2.436928  52.36509 2.616038   53.20000 5.900000   51.70000 4.700000   67.92832 3.792633   67.04378   3.061111 0.8845444 4.873855 
1 1 1  -22   10   10 o 90.79002 1.547136  94.53626 2.272527   91.20000 4.400000   98.10000 4.700000   89.13812 2.155405   92.44193   2.220079 -3.303810 3.094273 
1 1 1  -22   10   11 o 38.56798 2.871557  17.79412 1.647059   20.10000 2.800000   14.50000 4.000000   41.79542 2.925291   35.34054   4.942271 6.454880 5.743115 
1 1 1  -22   10   12 o 64.31006 1.970438  47.77654 1.987654   48.90000 3.500000   46.30000 4.600000   65.23489 2.342760   63.38522   3.168907 1.849674 3.940875 
1 1 1  -22   10   13 o 31.59668 3.369660  11.43478 1.681159   10.30000 2.900000   13.00000 4.000000   29.80908 4.248046   33.38428   5.231878 -3.575209 6.739320 
1 1 1  -22   10   14 o 44.85475 2.371077  23.03478 1.707246   27.00000 3.800000   19.80000 3.100000   48.31538 3.434297   41.39413   3.270112 6.921246 4.742155 
1 1 1  -22   10   15 o 45.16619 2.392359  24.53692 1.513846   26.90000 2.400000   20.50000 4.100000   48.36572 2.166773   41.96666   4.265983 6.399055 4.784717 
1 1 1  -22   10   16 o 11.65843 3.681709 -1.986667 1.498333  -4.500000 2.900000  0.7000000 3.100000   9.288482 4.489265   14.02839   5.836646 -4.739903 7.363419 
1 1 1  -22   10   17 f 24.52637 4.348373  7.601409 1.766197   9.600000 3.300000   5.300000 3.800000   28.00027 5.341165   21.05248   6.863334 6.947792 8.696746 
1 1 1  -22   10   18 o 51.68982 2.035715  31.06470 1.694118   31.30000 3.200000   30.80000 3.600000   51.94607 2.689905   51.43357   3.056297 0.5125008 4.071430 
1 1 1  -22   10   19 o 54.22826 2.191539  34.32987 1.916883   32.60000 3.600000   36.30000 4.100000   52.81714 2.976235   55.63937   3.217669 -2.822231 4.383078 
1 1 1  -22   10   20 o 48.15674 2.219110  27.34706 1.663235   28.20000 2.900000   26.20000 3.900000   49.22845 2.572300   47.08503   3.616775 2.143421 4.438219 
1 1 1  -22   10   21 o 15.10949 3.874037  1.621053 1.421053  -1.600000 2.700000   5.200000 3.000000   10.47254 4.831805   19.74645   6.056923 -9.273909 7.748075 
1 1 1  -22   10   22 o 12.19032 3.548046 -1.200000 1.440000   2.800000 2.400000  -7.200000 3.600000   15.18066 5.439167   9.199980   4.557410 5.980680 7.096092 
1 1 1  -22   10   23 o 20.42528 4.775051  5.756757 1.816216   7.800000 4.200000   4.200000 3.200000   23.01884 7.184290   17.83172   6.292093 5.187115 9.550102 
1 1 1  -22   10   24 o 36.40434 3.460499  17.52000 1.980000   18.60000 3.600000   16.20000 4.400000   38.36168 4.097741   34.44699   5.577520 3.914692 6.920998 
1 1 1  -22   12    1 o 9.219146 3.180609 -5.178689 1.514754  -5.500000 2.800000  -4.800000 3.300000   8.468867 4.161451   9.969424   4.811176 -1.500557 6.361217 
1 1 1  -22   12    2 o 24.55822 4.215528  7.698592 1.746479   10.10000 3.100000   4.600000 4.000000   29.14263 4.644861   19.97382   7.036191 9.168810 8.431057 
1 1 1  -22   12    3 o 14.91847 3.953793  1.311290 1.446774   3.500000 2.300000  -2.400000 3.900000   17.08337 5.313958   12.75357   5.855917 4.329802 7.907586 
1 1 1  -22   12    4 o 16.91387 4.544598  2.588406 1.715942   1.800000 3.200000   3.500000 3.700000   15.46912 6.110788   18.35862   6.728429 -2.889499 9.089196 
1 1 1  -22   12    5 o 42.85052 2.519013  20.37857 1.607143   17.20000 2.500000   26.10000 4.500000   38.53750 2.832671   47.16353   4.166255 -8.626034 5.038027 
1 1 1  -22   12    6 o 31.01806 3.746743  12.63088 1.686765   17.60000 3.100000   6.700000 3.700000   38.87556 3.481967   23.16055   6.635377 15.71501 7.493486 
1 1 1  -22   12    7 o 27.07590 3.551012  8.934999 1.498333   9.400000 3.100000   8.500000 2.900000   27.76092 5.062580   26.39088   4.980865 1.370043 7.102024 
1 1 1  -22   12    8 o 52.82175 2.016768  32.23768 1.715942   30.80000 3.200000   33.90000 3.700000   51.58615 2.708673   54.05736   2.988729 -2.471207 4.033536 
1 1 1  -22   12    9 o 24.45928 4.277781  7.564706 1.694118   6.400000 3.600000   8.600000 3.200000   22.58060 6.567239   26.33797   5.483521 -3.757368 8.555562 
1 1 1  -22   12   10 o 13.26467 3.649789 -0.2309091 1.374545   3.500000 2.700000  -4.100000 2.800000   17.31403 5.791451   9.215298   4.443302 8.098736 7.299578 
1 1 1  -22   12   11 o 33.56705 2.990289  13.34000 1.624615   14.00000 3.300000   12.70000 3.200000   34.39499 4.189465   32.73911   4.267984 1.655876 5.980577 
1 1 1  -22   12   12 o 16.57140 4.015828  2.926316 1.389474   4.400000 2.400000  0.9000000 3.300000   18.76485 5.333198   14.37794   6.005373 4.386903 8.031656 
1 1 1  -22   12   13 o 30.77397 2.973998  11.32542 1.471186   11.80000 2.800000   10.80000 3.100000   31.54804 3.875479   29.99990   4.512131 1.548141 5.947997 
1 1 1  -22   12   14 o 28.49931 3.598703  10.84194 1.548387   4.700000 3.200000   16.60000 3.000000   19.44741 6.295485   37.55121   3.488486 -18.10380 7.197406 
1 1 1  -22   12   15 o 13.51224 3.838080      0.08 1.509677   3.100000 2.600000  -4.100000 3.600000   16.20759 5.675292   10.81690   5.168608 5.390688 7.676161 
1 1 1  -22   12   16 o 13.40543 4.202069 -0.5178082 1.808219  -2.100000 3.300000   1.400000 4.000000   11.35812 5.275732   15.45274   6.541880 -4.094620 8.404139 
1 1 1  -22   12   17 o 16.42389 4.434730  3.013433 1.665672   3.800000 3.100000   2.100000 3.600000   17.31909 6.184202   15.52869   6.357906 1.790396 8.869460 
1 1 1  -22   12   18 o 12.47502 3.740884 -1.350000 1.387931  -4.800000 2.300000   3.900000 3.500000   7.403564 3.663089   17.54647   6.523697 -10.14291 7.481767 
1 1 1  -22   12   19 o 15.78769 4.236125  1.942647 1.698529  -1.600000 3.300000   5.700000 3.500000   11.52347 5.325466   20.05192   6.589266 -8.528450 8.472250 
1 1 1  -22   12   20 o 12.96165 4.208148 -0.9382716 2.024691  -1.900000 4.100000   0.000000 4.000000   12.38658 5.795359   13.53671   6.103101 -1.150126 8.416296 
1 1 1  -22   14    1 o 18.34307 4.907156  4.493750 1.968750   4.100000 3.500000   5.000000 4.500000   17.61898 6.529027   19.06717   7.327519 -1.448187 9.814312 
1 1 1  -22   14    2 o 17.60582 4.548707  4.017647 1.686765   4.200000 3.100000   3.800000 3.700000   17.75924 6.198225   17.45240   6.659202 0.3068409 9.097415 
1 1 1  -22   14    3 o 30.48430 4.453922  12.70118 2.075294   11.60000 3.600000   14.20000 4.900000   29.50611 5.530791   31.46249   6.982838 -1.956375 8.907844 
1 1 1  -22   14    4 o 24.86701 4.510883  8.741892 1.828378   7.800000 4.100000   9.500000 3.300000   23.12719 7.078636   26.60682   5.593314 -3.479628 9.021766 
1 1 1  -22   14    5 o 14.13455 3.937351  1.513559 1.423729   3.100000 2.400000 -0.8000000 3.500000   15.71969 5.455553   12.54941   5.678722 3.170283 7.874702 
1 1 1  -22   14    6 o 26.10911 4.636490  9.697468 1.972152   8.400000 4.100000   10.90000 3.800000   24.02018 7.014959   28.19804   6.064529 -4.177858 9.272981 
1 1 1  -22   14    7 o 14.16548 4.543428 -1.500000 2.362500   1.300000 4.200000  -5.100000 5.400000   15.32804 6.601584   13.00293   6.244200 2.325107 9.086856 
1 1 1  -22   14    8 o 22.58559 4.317399  7.125758 1.643939   8.300000 3.100000   5.800000 3.500000   24.82952 5.586803   20.34167   6.583871 4.487841 8.634797 
1 1 1  -22   14    9 o 18.83855 4.803028  4.747368 1.888158   5.300000 3.500000   4.100000 4.100000   19.55988 6.593605   18.11721   6.985750 1.442669 9.606056 
1 1 1  -22   14   10 o 17.45632 4.294562  3.876562 1.560938   5.100000 2.700000   2.200000 3.700000   19.33309 5.705982   15.57955   6.419877 3.753542 8.589124 
1 1 1  -22   14   11 o 18.71908 5.052254  4.682759 2.151724   5.400000 3.900000   3.800000 4.800000   19.48087 6.938509   17.95729   7.345622 1.523577 10.10451 
1 1 1  -22   14   12 o 12.89176 3.813017 -0.6261540 1.606154  -5.500000 3.600000   3.300000 2.900000   9.759974 4.779997   16.02354   5.942055 -6.263565 7.626034 
1 1 1  -22   14   13 o 19.43063 4.677157  5.600000 1.800000   4.200000 3.600000   7.000000 3.600000   17.39782 6.585279   21.46343   6.643592 -4.065605 9.354315 
1 1 1  -21    1    1 o 120.0458 1.577780  164.9092 2.859167   164.4000 4.700000   165.7000 7.300000   119.8145 1.712885   120.2771   2.650205 -0.4626236 3.155560 
1 1 1  -21    1    2 o 198.9308 2.098825  453.2548 6.042146   453.0000 9.500000   453.7000 16.60000   198.8771 2.085828   198.9845   3.642743 -0.1074066 4.197649 
1 1 1  -21    1    3 o 89.01862 1.083297  90.46500 1.365000   89.80000 2.100000   91.70000 3.900000   88.55504 1.035490   89.48219   1.903127 -0.9271545 2.166594 
1 1 1  -21    1    4 o 513.0866 8.255070  0.000000 0.000000          ?        ?   3022.700 97.00000          ?        ?   513.0866   8.255070       ?       ? 
1 1 1  -21    1    5 o 346.3885 5.508809  0.000000 0.000000          ?        ?   1375.600 43.70000          ?        ?   346.3885   5.508809       ?       ? 
1 1 1  -21    1    6 o 398.4330 6.466011  0.000000 0.000000          ?        ?   1820.900 59.00000          ?        ?   398.4330   6.466011       ?       ? 
1 1 1  -21    1    7 o 189.1862 1.984946  0.000000 0.000000          ?        ?   409.9000 8.600000          ?        ?   189.1862   1.984946       ?       ? 
1 1 1  -21    1    8 o 356.1676 3.506318  0.000000 0.000000          ?        ?   1453.300 28.60000          ?        ?   356.1676   3.506318       ?       ? 
1 1 1  -21    1    9 o 321.5313 3.180379  1172.813 14.77294   1229.400 41.30000   1141.300 23.00000   327.4309 5.507698   315.6317   3.181902 11.79916 6.360757 
1 1 1  -21    1   10 o 298.4794 2.629482  1021.088 12.68740   1028.400 24.60000   1013.300 26.20000   299.5903 3.585478   297.3684   3.847213 2.221893 5.258964 
1 1 1  -21    1   11 f 237.4048 2.205993  645.0026 8.448378   634.1000 16.00000   657.2000 17.90000   235.2851 2.969376   239.5245   3.263193 -4.239426 4.411986 
1 1 1  -21    1   12 o 251.0844 3.147738  722.2000 18.10000   722.2000 18.10000          ?        ?   251.0844 3.147738          ?          ?       ?       ? 
1 1 1  -21    1   13 o 464.4284 4.369239  2496.910 29.82504   2570.200 48.10000   2377.300 78.50000   473.6225 4.434580   455.2343   7.529642 18.38812 8.738479 
1 1 1  -21    1   14 o 88.16938 1.464586  90.35000 1.875000   94.10000 3.000000   84.10000 5.000000   90.64890 1.445102   85.68987   2.547888 4.959030 2.929172 
1 1 1  -21    1   15 o 278.3116 2.989512  885.8687 11.83494   881.7000 18.30000   893.5000 33.50000   277.4414 2.880179   279.1819   5.239590 -1.740509 5.979024 
1 1 1  -21    1   16 o 253.7550 2.775140  733.0855 10.72250   714.4000 17.70000   761.8000 27.20000   249.7177 3.095022   257.7923   4.607217 -8.074585 5.550280 
1 1 1  -21    1   17 o 352.7009 3.912950  1400.120 18.15289   1354.800 26.30000   1501.100 58.60000   343.8600 3.339748   361.5417   7.077486 -17.68161 7.825901 
1 1 1  -21    1   18 f 70.23591 1.678589  56.50000 2.700000   56.50000 2.700000          ?        ?   70.23591 1.678589          ?          ?       ?       ? 
1 1 1  -21    1   19 o 346.4027 3.428683  1375.600 27.20000   1375.600 27.20000          ?        ?   346.4027 3.428683          ?          ?       ?       ? 
1 1 1  -21    1   20 o 165.6557 1.976945  314.4000 7.500000   314.4000 7.500000          ?        ?   165.6557 1.976945          ?          ?       ?       ? 
1 1 1  -21    1   21 o 273.9552 3.012465  860.8000 18.90000   860.8000 18.90000          ?        ?   273.9552 3.012465          ?          ?       ?       ? 
1 1 1  -21    1   22 o 100.6453 1.865584  116.1000 4.300000   116.1000 4.300000          ?        ?   100.6453 1.865584          ?          ?       ?       ? 
1 1 1  -21    1   23 o 134.2488 1.886503  206.7000 5.800000   206.7000 5.800000          ?        ?   134.2488 1.886503          ?          ?       ?       ? 
1 1 1  -21    1   24 o 10.08682 4.767201 -3.300000 2.900000  -3.300000 2.900000          ?        ?   10.08682 4.767201          ?          ?       ?       ? 
1 1 1  -21    1   25 o 80.47963 1.898986  74.40000 3.500000   74.40000 3.500000          ?        ?   80.47963 1.898986          ?          ?       ?       ? 
1 1 1  -21    1   26 f 60.05818 1.890344  41.50000 2.600000   41.50000 2.600000          ?        ?   60.05818 1.890344          ?          ?       ?       ? 
1 1 1  -21    1   27 o 48.85728 2.234346  27.60000 2.500000   27.60000 2.500000          ?        ?   48.85728 2.234346          ?          ?       ?       ? 
1 1 1  -21    1   28 o 29.04078 4.210071  10.10000 2.800000   10.10000 2.800000          ?        ?   29.04078 4.210071          ?          ?       ?       ? 
1 1 1  -21    1   29 o 23.20962 5.373775  7.100000 2.800000   7.100000 2.800000          ?        ?   23.20962 5.373775          ?          ?       ?       ? 
1 1 1  -21    1   30 o 34.65372 2.898129  14.30000 2.300000   14.30000 2.300000          ?        ?   34.65372 2.898129          ?          ?       ?       ? 
1 1 1  -21    3    1 o 204.8027 1.970511  480.7387 6.513410   487.3000 12.50000   473.6000 13.60000   206.2657 2.646201   203.3398   2.920494 2.925888 3.941023 
1 1 1  -21    3    2 o 150.4004 1.500175  258.7096 3.632877   253.4000 6.800000   264.8000 7.800000   148.7475 1.996176   152.0532   2.239952 -3.305634 3.000351 
1 1 1  -21    3    3 o 446.8709 3.672494  2288.992 26.57441   2297.800 52.90000   2280.100 53.40000   447.7379 5.159072   446.0040   5.228080 1.733826 7.344987 
1 1 1  -21    3    4 o 121.9957 1.277934  170.3099 2.522772   164.1000 4.900000   176.9000 5.200000   119.7054 1.787401   124.2860   1.826926 -4.580589 2.555868 
1 1 1  -21    3    5 o 262.4104 2.862813  788.5823 11.57996   791.3000 28.30000   786.7000 19.60000   262.7629 4.702860   262.0578   3.265868 0.7050781 5.725626 
1 1 1  -21    3    6 o 337.5180 3.484977  1302.596 18.28951   1324.800 44.00000   1286.800 31.30000   339.9212 5.652156   335.1148   4.078405 4.806366 6.969954 
1 1 1  -21    3    7 o 253.4626 2.679066  741.5229 10.65035   697.4000 24.40000   775.7000 18.90000   246.7008 4.318759   260.2244   3.171418 -13.52359 5.358132 
1 1 1  -21    3    8 o 183.2170 1.719601  384.1324 5.087745   392.0000 10.70000   377.0000 9.700000   185.0026 2.525491   181.4315   2.334526 3.571060 3.439203 
1 1 1  -21    3    9 o 462.3073 3.840565  2450.448 28.74861   2464.400 57.10000   2436.300 57.90000   463.6382 5.377700   460.9763   5.484534 2.661987 7.681130 
1 1 1  -21    3   10 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -21    3   11 o 313.2328 2.794441  1122.354 14.13792   1084.400 26.90000   1164.400 29.80000   307.6647 3.817810   318.8008   4.081657 -11.13614 5.588881 
1 1 1  -21    3   12 o 85.09844 1.106689  82.82459 1.521312   80.40000 2.900000   85.50000 3.200000   83.79037 1.511275   86.40651   1.617124 -2.616135 2.213378 
1 1 1  -21    3   13 f 236.4860 2.218909  639.5270 8.481176   609.7000 16.20000   672.3000 17.80000   230.7107 3.066105   242.2613   3.208305 -11.55058 4.437817 
1 1 1  -21    3   14 o 243.5672 2.205838  679.5828 8.698851   681.1000 17.60000   678.1000 17.20000   243.8350 3.151784   243.2995   3.086931 0.5354309 4.411676 
1 1 1  -21    3   15 o 219.6507 1.960822  552.1495 6.964158   536.3000 13.40000   569.3000 14.50000   216.3741 2.704203   222.9273   2.840171 -6.553238 3.921643 
1 1 1  -21    3   16 o 240.5620 2.682571  667.1531 10.04866   638.5000 23.60000   688.4000 17.50000   236.0035 4.366498   245.1204   3.117442 -9.116882 5.365142 
1 1 1  -21    3   17 f 225.9806 2.186491  584.8731 7.988750   575.2000 15.40000   595.3000 16.60000   224.0452 3.001406   227.9159   3.180337 -3.870712 4.372983 
1 1 1  -21    3   18 o 111.0709 1.620631  141.0302 2.857759   138.7000 5.100000   144.0000 6.500000   110.0360 2.023834   112.1058   2.531774 -2.069786 3.241262 
1 1 1  -21    3   19 o 52.75864 1.800424  31.82623 1.491803   31.40000 2.600000   32.40000 3.500000   52.35091 2.168647   53.16637   2.874556 -0.8154602 3.600847 
1 1 1  -21    3   20 o 53.78477 2.237182  32.59459 1.585135   31.60000 2.300000   34.80000 5.100000   52.51649 1.912370   55.05305   4.045093 -2.536556 4.474364 
1 1 1  -21    3   21 o 16.05119 3.823945  1.825000 1.335938   4.200000 1.900000  -3.800000 4.500000   18.73283 4.487792   13.36955   6.192733 5.363286 7.647890 
1 1 1  -21    3   22 o 136.0887 1.903962  209.1695 3.777439   199.6000 5.900000   226.2000 10.50000   131.9270 1.952801   140.2504   3.269075 -8.323349 3.807924 
1 1 1  -21    3   23 f 80.32390 1.957234  73.94747 2.317172   73.20000 3.700000   75.20000 6.200000   79.86255 2.023011   80.78525   3.351192 -0.9226990 3.914469 
1 1 1  -21    3   24 o 78.55489 1.847120  70.88696 2.191304   70.30000 3.600000   71.80000 5.600000   78.22759 2.009473   78.88218   3.099908 -0.6545868 3.694241 
1 1 1  -21    3   25 o 16.43487 4.268701  2.593333 1.493333   1.800000 2.800000   3.500000 3.200000   14.91052 5.766351   17.95922   6.295747 -3.048701 8.537402 
1 1 1  -21    3   26 o 11.77952 5.133041 -0.3000000 2.600000 -0.3000000 2.600000          ?        ?   11.77952 5.133041          ?          ?       ?       ? 
1 1 1  -21    3   27 o 14.92911 5.910626  1.800000 3.000000   1.800000 3.000000          ?        ?   14.92911 5.910626          ?          ?       ?       ? 
1 1 1  -21    3   28 o 75.64189 2.193618  66.70000 3.800000   66.70000 3.800000          ?        ?   75.64189 2.193618          ?          ?       ?       ? 
1 1 1  -21    3   29 o 18.98284 5.856346  4.900000 2.800000   4.900000 2.800000          ?        ?   18.98284 5.856346          ?          ?       ?       ? 
1 1 1  -21    3   30 o 11.54752 3.931981 -3.375610 1.951220  -4.000000 3.200000  -2.400000 5.000000   9.702701 4.695802   13.39234   6.308038 -3.689636 7.863962 
1 1 1  -21    5    1 o 237.9047 3.285411  0.000000 0.000000          ?        ?   648.4000 17.90000          ?        ?   237.9047   3.285411       ?       ? 
1 1 1  -21    5    2 o 587.4724 6.837763  3966.054 65.04136   4057.800 131.6000   3876.400 128.6000   594.1888 9.670996   580.7560   9.669120 13.43274 13.67553 
1 1 1  -21    5    3 o 250.9500 2.281673  719.7981 9.245283   685.6000 17.50000   758.1000 19.60000   244.6480 3.123461   257.2521   3.326878 -12.60410 4.563346 
1 1 1  -21    5    4 o 221.8383 1.983968  563.4144 7.114386   556.3000 13.70000   571.1000 14.80000   220.3842 2.714437   223.2924   2.894193 -2.908188 3.967937 
1 1 1  -21    5    5 o 435.3266 3.606681  2172.133 25.42498   2154.800 50.80000   2189.500 50.90000   433.5867 5.115963   437.0664   5.085224 -3.479736 7.213361 
1 1 1  -21    5    6 o 220.1204 2.076627  552.4561 7.333784   523.8000 13.40000   587.1000 16.20000   213.8487 2.736137   226.3921   3.124593 -12.54344 4.153255 
1 1 1  -21    5    7 o 306.5569 3.874338  0.000000 0.000000          ?        ?   1076.700 27.20000          ?        ?   306.5569   3.874338       ?       ? 
1 1 1  -21    5    8 o 448.8508 3.718054  2308.672 27.01277   2275.200 52.90000   2343.600 55.20000   445.5334 5.184598   452.1682   5.330633 -6.634766 7.436108 
1 1 1  -21    5    9 o 247.1157 2.205675  699.5029 8.824363   676.5000 17.50000   722.9000 17.80000   243.0170 3.144424   251.2144   3.093964 -8.197388 4.411351 
1 1 1  -21    5   10 o 238.1802 2.243056  649.0323 8.626590   631.4000 16.40000   668.6000 18.20000   234.7755 3.050217   241.5849   3.289586 -6.809448 4.486113 
1 1 1  -21    5   11 o 422.0986 3.437716  2041.350 23.48468   1987.900 45.80000   2097.600 48.20000   416.4363 4.802381   427.7609   4.920233 -11.32462 6.875432 
1 1 1  -21    5   12 o 426.0020 3.609316  2080.284 24.88996   2042.900 48.80000   2119.200 50.80000   422.1032 5.048250   429.9007   5.159828 -7.797485 7.218632 
1 1 1  -21    5   13 o 277.1630 2.478702  880.1234 11.12225   872.2000 21.90000   888.3000 22.60000   275.8977 3.466057   278.4283   3.544335 -2.530548 4.957405 
1 1 1  -21    5   14 o 357.5436 3.108521  1463.938 17.96445   1415.300 34.40000   1517.100 37.60000   351.3484 4.275237   363.7389   4.513753 -12.39047 6.217043 
1 1 1  -21    5   15 o 386.3698 3.352663  1712.510 20.96639   1700.900 41.10000   1724.600 42.80000   385.0460 4.660891   387.6937   4.820529 -2.647705 6.705327 
1 1 1  -21    5   16 o 250.6565 3.501522  720.3000 20.10000   720.3000 20.10000          ?        ?   250.6565 3.501522          ?          ?       ?       ? 
1 1 1  -21    5   17 o 205.5821 2.073064  484.4301 6.899638   468.0000 13.70000   501.1000 13.90000   202.0683 2.960480   209.0959   2.902746 -7.027618 4.146128 
1 1 1  -21    5   18 o 238.1616 2.318135  650.7863 8.899719   647.1000 18.80000   654.1000 16.90000   237.4984 3.456503   238.8247   3.089919 -1.326370 4.636271 
1 1 1  -21    5   19 o 213.8506 2.194739  524.7336 7.598684   526.0000 15.40000   523.5000 15.00000   214.1000 3.140825   213.6012   3.066389 0.4987793 4.389478 
1 1 1  -21    5   20 o 123.4493 2.200924  173.1948 4.163793   184.6000 10.50000   165.7000 6.900000   126.7185 3.618171   120.1801   2.507012 6.538406 4.401849 
1 1 1  -21    5   21 o 66.25887 2.057166  51.36512 2.120930   44.50000 4.800000   56.80000 3.800000   62.17748 3.370915   70.34027   2.358953 -8.162792 4.114332 
1 1 1  -21    5   22 o 82.89131 1.769325  78.98315 2.374737   77.40000 4.700000   80.60000 4.800000   82.05196 2.501201   83.73067   2.503205 -1.678719 3.538650 
1 1 1  -21    5   23 o 65.02634 2.208437  48.40222 2.062222   50.40000 5.800000   47.30000 3.200000   65.91580 3.842184   64.13687   2.178622 1.778931 4.416874 
1 1 1  -21    5   24 o 96.10639 2.260665  106.8489 3.226277   108.4000 8.500000   105.9000 5.200000   96.38763 3.850679   95.82516   2.369537 0.5624695 4.521331 
1 1 1  -21    5   25 o 44.10888 3.565292  23.73299 2.311340   21.30000 5.900000   25.30000 3.800000   41.73702 6.172630   46.48073   3.569853 -4.743710 7.130583 
1 1 1  -21    5   26 o 41.24928 2.345173  20.34426 1.521312   24.10000 2.900000   16.20000 3.200000   45.47864 2.784391   37.01992   3.774455 8.458721 4.690346 
1 1 1  -21    5   27 o 19.31717 4.760746  4.443244 1.714865   2.400000 2.700000   8.000000 4.700000   15.01716 5.698476   23.61718   7.627988 -8.600020 9.521493 
1 1 1  -21    5   28 o 21.25147 4.646419  6.281081 1.848649   3.800000 3.600000   8.900000 3.800000   17.46105 6.591046   25.04188   6.550948 -7.580826 9.292837 
1 1 1  -21    5   29 o 10.27523 3.531602 -6.097500 1.955000  -2.400000 3.400000  -11.10000 4.600000   11.01334 5.191824   9.537116   4.788925 1.476223 7.063203 
1 1 1  -21    7    1 o 236.6673 2.392419  640.5743 9.071038   624.7000 16.60000   659.7000 20.00000   233.4628 3.104775   239.8717   3.640748 -6.408951 4.784838 
1 1 1  -21    7    2 o 327.3581 2.990590  1229.087 15.84748   1239.800 31.30000   1218.100 32.10000   328.8116 4.156588   325.9047   4.300848 2.906860 5.981180 
1 1 1  -21    7    3 o 174.5379 1.850916  348.5225 5.198086   341.7000 9.700000   356.4000 11.20000   172.7057 2.452476   176.3701   2.772891 -3.664413 3.701833 
1 1 1  -21    7    4 o 84.61771 1.323997  82.35416 1.787500   78.40000 3.900000   85.70000 3.300000   82.73240 2.058395   86.50301   1.665798 -3.770607 2.647994 
1 1 1  -21    7    5 o 180.4088 1.865906  372.8725 5.449542   359.1000 10.80000   386.9000 11.00000   177.0452 2.663662   183.7722   2.613680 -6.727005 3.731812 
1 1 1  -21    7    6 o 104.8622 1.310464  125.8843 2.222472   124.0000 4.300000   127.9000 4.600000   104.0510 1.804520   105.6733   1.900781 -1.622307 2.620928 
1 1 1  -21    7    7 o 103.3184 1.480363  122.3384 2.474747   118.5000 5.000000   126.1000 4.900000   101.7121 2.146531   104.9247   2.039191 -3.212654 2.960725 
1 1 1  -21    7    8 o 48.89369 2.018611  27.21094 1.585938   24.90000 2.900000   30.00000 3.500000   46.61916 2.716272   51.16822   2.986809 -4.549061 4.037221 
1 1 1  -21    7    9 o 284.5523 2.556701  928.3497 11.76858   936.7000 23.00000   919.6000 24.10000   285.8713 3.513153   283.2333   3.715458 2.637970 5.113401 
1 1 1  -21    7   10 o 106.6369 1.391897  130.4000 2.398958   135.1000 4.700000   125.5000 4.900000   108.6032 1.889709   104.6706   2.044141 3.932564 2.783795 
1 1 1  -21    7   11 o 323.6940 5.679199  0.000000 0.000000          ?        ?   1203.700 42.10000          ?        ?   323.6940   5.679199       ?       ? 
1 1 1  -21    7   12 o 305.7118 2.773396  1069.828 13.66922   1037.200 25.70000   1106.900 29.20000   300.7630 3.731199   310.6606   4.104274 -9.897614 5.546793 
1 1 1  -21    7   13 o 196.1650 1.951753  440.9500 6.200000   440.7000 12.40000   441.2000 12.40000   196.1094 2.760978   196.2207   2.759412 -0.1112823 3.903505 
1 1 1  -21    7   14 f 192.1446 2.033423  422.9913 6.313044   416.2000 12.10000   430.4000 13.20000   190.5413 2.772911   193.7479   2.974930 -3.206573 4.066847 
1 1 1  -21    7   15 o 52.72020 1.847386  31.80000 1.571429   27.80000 3.000000   36.20000 3.300000   49.24433 2.660141   56.19606   2.564176 -6.951733 3.694773 
1 1 1  -21    7   16 o 134.9304 1.624531  208.5796 3.547183   202.7000 6.900000   214.8000 7.300000   132.9768 2.265756   136.8840   2.328680 -3.907242 3.249062 
1 1 1  -21    7   17 o 117.4386 1.591567  158.1884 3.023140   156.6000 6.200000   159.7000 5.900000   116.8582 2.316713   118.0190   2.182930 -1.160767 3.183134 
1 1 1  -21    7   18 o 66.60936 1.738115  50.84800 1.872000   47.20000 3.600000   54.80000 3.900000   64.12482 2.451410   69.09390   2.464703 -4.969078 3.476230 
1 1 1  -21    7   19 o 166.3246 1.856392  317.9000 5.000000   318.8000 10.00000   317.0000 10.00000   166.5609 2.621602   166.0883   2.629061 0.4725647 3.712783 
1 1 1  -21    7   20 o 47.14339 1.934311  25.41017 1.454237   24.00000 2.600000   27.20000 3.300000   45.68888 2.484863   48.59789   2.965079 -2.909012 3.868622 
1 1 1  -21    7   21 o 64.03491 1.663733  47.17246 1.724638   45.30000 3.400000   49.10000 3.500000   62.74380 2.366180   65.32603   2.339492 -2.582226 3.327466 
1 1 1  -21    7   22 o 22.19756 4.068912  6.084746 1.471186   5.800000 2.800000   6.400000 3.100000   21.67336 5.600854   22.72175   5.903780 -1.048384 8.137824 
1 1 1  -21    7   23 o 40.23827 2.566857  18.97273 1.612121   18.80000 3.800000   19.10000 2.800000   39.94399 4.154051   40.53254   3.016435 -0.5885429 5.133714 
1 1 1  -21    7   24 o 48.12002 2.149612  27.06418 1.671642   26.30000 3.200000   27.90000 3.500000   47.44114 2.945334   48.79890   3.131827 -1.357765 4.299225 
1 1 1  -21    7   25 o 16.77426 4.502949  1.897403 1.924675  -2.100000 3.800000   6.000000 3.900000   12.38529 5.720565   21.16323   6.955668 -8.777941 9.005898 
1 1 1  -21    7   26 o 14.19418 4.256149  1.081159 1.707246  0.2000000 3.800000   1.800000 3.100000   13.87118 6.119730   14.51718   5.916768 -0.6459980 8.512299 
1 1 1  -21    7   27 o 15.94321 4.391960  2.360294 1.663235  0.1000000 2.900000   5.400000 3.900000   12.25902 5.379324   19.62740   6.944071 -7.368380 8.783919 
1 1 1  -21    9    1 o 71.54069 1.704331  58.40886 1.959494   62.60000 4.300000   54.90000 3.600000   73.88177 2.541387   69.19960   2.271635 4.682175 3.408662 
1 1 1  -21    9    2 o 139.0108 1.876863  221.3953 4.217752   215.5000 8.100000   227.8000 8.800000   137.0877 2.580040   140.9339   2.726509 -3.846222 3.753726 
1 1 1  -21    9    3 o 62.23851 2.183930  44.35114 2.189773   45.90000 4.700000   43.00000 4.100000   63.24793 3.244824   61.22909   2.923922 2.018841 4.367860 
1 1 1  -21    9    4 o 85.55330 1.696249  83.90000 2.350000   84.30000 4.700000   83.50000 4.700000   85.75746 2.393126   85.34914   2.404575 0.4083176 3.392497 
1 1 1  -21    9    5 o 47.68637 2.692413  25.81325 2.024096   24.00000 3.500000   28.30000 4.800000   45.73664 3.341516   49.63611   4.222631 -3.899475 5.384825 
1 1 1  -21    9    6 o 126.5292 1.664689  183.5882 3.381618   182.3000 7.300000   184.7000 6.300000   126.1062 2.527704   126.9523   2.166904 -0.8461151 3.329379 
1 1 1  -21    9    7 o 216.9176 2.221004  539.8083 7.798718   535.2000 15.80000   544.3000 15.40000   215.9968 3.194108   217.8384   3.086924 -1.841644 4.442007 
1 1 1  -21    9    8 o 123.0172 1.769931  173.5206 3.524823   170.6000 7.100000   176.4000 7.000000   121.9868 2.541472   124.0476   2.464050 -2.060791 3.539862 
1 1 1  -21    9    9 o 157.8362 1.888775  285.7824 4.823834   280.4000 9.800000   291.0000 9.500000   156.3663 2.736670   159.3060   2.603942 -2.939636 3.777549 
1 1 1  -21    9   10 o 123.6100 1.685995  175.1245 3.373333   171.8000 6.600000   178.6000 6.900000   122.4124 2.354280   124.8075   2.414060 -2.395096 3.371991 
1 1 1  -21    9   11 o 70.98170 1.827726  57.99879 2.038554   59.30000 3.600000   56.30000 4.700000   71.91998 2.185710   70.04342   2.930017 1.876564 3.655452 
1 1 1  -21    9   12 o 70.04819 2.139209  56.21650 2.412371   54.50000 4.500000   58.20000 5.200000   68.90835 2.851546   71.18802   3.189600 -2.279671 4.278418 
1 1 1  -21    9   13 o 45.75136 2.446560  24.42113 1.757746   21.40000 3.900000   26.90000 3.200000   43.10779 3.950468   48.39493   2.887286 -5.287144 4.893119 
1 1 1  -21    9   14 o 93.02048 1.530091  99.39565 2.295652   101.5000 4.400000   97.10000 4.800000   94.06165 2.042583   91.97931   2.278719 2.082336 3.060181 
1 1 1  -21    9   15 o 87.99371 1.530611  88.64138 2.151724   91.40000 4.800000   86.40000 3.900000   89.21178 2.349410   86.77566   1.962485 2.436119 3.061221 
1 1 1  -21    9   16 o 65.17820 1.803610  48.87368 1.894737   49.30000 3.600000   48.40000 4.000000   65.49403 2.400161   64.86237   2.692817 0.6316681 3.607220 
1 1 1  -21    9   17 o 35.80886 2.943972  15.02090 1.644776   15.80000 2.900000   14.00000 3.800000   36.97122 3.425105   34.64650   4.789210 2.324718 5.887943 
1 1 1  -21    9   18 o 34.10888 2.790715  14.12759 1.434483   10.10000 3.200000   17.40000 2.600000   29.39081 4.754208   38.82694   2.924017 -9.436136 5.581430 
1 1 1  -21    9   19 o 84.94550 1.696508  83.31398 2.311828   84.10000 4.300000   82.40000 5.000000   85.43033 2.197840   84.46068   2.584968 0.9696503 3.393016 
1 1 1  -21    9   20 o 23.00643 3.477374  6.517647 1.647059   12.90000 2.800000  -2.600000 4.000000   33.20255 3.682361   12.81032   5.899892 20.39223 6.954747 
1 1 1  -21    9   21 o 36.38326 2.817437  15.71818 1.636364   15.90000 3.000000   15.50000 3.600000   36.74034 3.565479   36.02618   4.363390 0.7141609 5.634874 
1 1 1  -21    9   22 o 33.08736 2.800536  12.96500 1.485000   12.20000 2.700000   13.90000 3.300000   32.09703 3.673150   34.07769   4.228473 -1.980656 5.601072 
1 1 1  -21    9   23 o 27.45165 4.424353  10.10000 1.909091   9.100000 3.500000   11.30000 4.200000   26.09990 5.983364   28.80340   6.519123 -2.703505 8.848706 
1 1 1  -21    9   24 o 14.74947 4.172279      0.08 1.844595  -5.300000 3.900000   4.900000 3.500000   10.54408 5.121970   18.95485   6.587646 -8.410769 8.344559 
1 1 1  -21    9   25 o 15.75020 4.261662  2.317647 1.694118   5.000000 3.200000 -0.7000000 3.600000   18.86126 6.304954   12.63914   5.735382 6.222119 8.523323 
1 1 1  -21   11    1 f 22.53346 3.862690  6.320000 1.560000   9.600000 2.600000   1.400000 3.900000   28.75811 3.947778   16.30881   6.640523 12.44929 7.725380 
1 1 1  -21   11    2 o 13.78777 3.904574 0.6309091 1.338182  -1.000000 2.300000   2.900000 3.200000   10.40567 4.664937   17.16986   6.262681 -6.764187 7.809149 
1 1 1  -21   11    3 o 48.39178 2.328603  26.95753 1.816438   25.70000 3.400000   28.40000 3.900000   47.20058 3.145367   49.58299   3.434564 -2.382416 4.657205 
1 1 1  -21   11    4 o 75.58289 1.765153  65.91977 2.145349   62.10000 4.500000   69.40000 4.100000   73.45903 2.674897   77.70676   2.303906 -4.247726 3.530305 
1 1 1  -21   11    5 o 69.15835 2.017053  55.21556 2.245556   57.70000 4.300000   52.50000 4.700000   70.81683 2.651378   67.49986   3.040427 3.316971 4.034105 
1 1 1  -21   11    6 o 26.87861 4.619648  8.850000 2.000000   7.600000 4.000000   10.10000 4.000000   24.96377 6.808471   28.79345   6.245741 -3.829674 9.239295 
1 1 1  -21   11    7 f 21.09656 4.361640  4.905556 1.798611   8.600000 3.500000   1.000000 3.700000   26.58921 5.901824   15.60391   6.423714 10.98529 8.723281 
1 1 1  -21   11    8 o 124.8006 1.659041  179.1500 3.350000   170.6000 6.700000   187.7000 6.700000   121.8091 2.401788   127.7921   2.289341 -5.982994 3.318082 
1 1 1  -21   11    9 o 22.34636 4.444351  5.898571 1.744286   8.700000 3.700000   3.400000 3.300000   26.65227 6.181766   18.04045   6.387079 8.611822 8.888701 
1 1 1  -21   11   10 o 56.94466 2.261237  37.59398 2.074699   41.20000 4.100000   33.90000 4.200000   59.74959 2.996323   54.13974   3.387450 5.609856 4.522473 
1 1 1  -21   11   11 o 11.92400 3.773818 -1.393443 1.521312 -0.3000000 2.900000  -2.600000 3.200000   12.58621 5.452942   11.26179   5.218452 1.324424 7.547637 
1 1 1  -21   11   12 o 24.35339 4.017540  7.361194 1.665672   3.600000 3.600000   10.60000 3.100000   18.58207 6.661198   30.12471   4.493435 -11.54264 8.035080 
1 1 1  -21   11   13 o 54.56519 2.059540  33.85891 1.783562   29.40000 3.100000   39.90000 4.200000   50.44957 2.683144   58.68080   3.125309 -8.231236 4.119080 
1 1 1  -21   11   14 o 46.50809 2.332826  24.95714 1.714286   23.80000 3.000000   26.50000 4.000000   45.33694 2.889407   47.67923   3.663283 -2.342281 4.665653 
1 1 1  -21   11   15 o 10.25116 3.415044 -3.126316 1.389474  -4.600000 2.400000  -1.100000 3.300000   7.945200 3.893679   12.55712   5.611538 -4.611922 6.830088 
1 1 1  -21   11   16 o 49.67550 2.339587  28.90533 1.874667   25.60000 3.700000   32.30000 3.800000   46.74475 3.456278   52.60625   3.154176 -5.861507 4.679175 
1 1 1  -21   11   17 o 35.60082 3.043226  15.38508 1.591045   16.20000 2.600000   14.10000 4.100000   37.20650 3.051365   33.99514   5.266314 3.211365 6.086452 
1 1 1  -21   11   18 o 26.97967 4.168006  9.421126 1.774648   7.900000 3.600000   10.90000 3.500000   24.56367 6.352240   29.39567   5.397977 -4.831993 8.336013 
1 1 1  -21   11   19 o 39.25581 2.672256  18.70448 1.656716   19.60000 3.000000   17.60000 3.700000   40.58292 3.227882   37.92869   4.259647 2.654236 5.344512 
1 1 1  -21   11   20 o 62.21583 1.816640  45.68493 1.824658   50.50000 3.700000   41.00000 3.600000   65.52455 2.465684   58.90710   2.668545 6.617451 3.633281 
1 1 1  -21   11   21 o 23.95343 4.468811  7.718919 1.801351   12.60000 4.300000   4.200000 3.100000   30.07335 6.437777   17.83351   6.199687 12.23984 8.937622 
1 1 1  -21   11   22 o 17.80428 4.638712  4.289041 1.816438   5.500000 3.400000   2.900000 3.900000   19.42544 6.498971   16.18312   6.620724 3.242325 9.277424 
1 1 1  -21   13    1 o 14.63851 4.323073 0.9250000 1.750000   2.300000 3.000000  -1.000000 4.200000   15.37902 5.962824   13.89801   6.261036 1.481010 8.646146 
1 1 1  -21   13    2 o 23.34402 4.540855  6.964789 1.695775   5.900000 2.800000   8.600000 4.300000   21.40829 5.634370   25.27975   7.122594 -3.871464 9.081711 
1 1 1  -21   13    3 o 21.07174 4.752282  5.513333 1.866667   7.700000 4.000000   3.600000 3.500000   24.19582 6.888044   17.94766   6.549168 6.248152 9.504564 
1 1 1  -21   13    4 o 31.63529 3.820486  12.65000 1.687500   13.40000 2.700000   11.40000 4.500000   33.74042 3.494242   29.53016   6.795197 4.210262 7.640971 
1 1 1  -21   13    5 o 39.30383 3.084382  17.85063 1.903798   13.80000 3.200000   23.80000 4.700000   34.07388 4.100796   44.53379   4.608376 -10.45992 6.168764 
1 1 1  -21   13    6 o 12.77465 4.050554 -1.174286 1.748571  -2.100000 3.600000 -0.3000000 3.400000   12.23245 5.620165   13.31685   5.834527 -1.084398 8.101109 
1 1 1  -21   13    7 o 11.28892 3.757433 -4.166667 1.794444  -1.000000 3.800000  -7.000000 3.400000   13.45284 6.016031   9.125002   4.503397 4.327833 7.514866 
1 1 1  -21   13    8 o 10.44982 3.497526 -3.893846 1.621538  -6.300000 3.400000  -1.700000 3.100000   9.414985 4.618100   11.48465   5.253941 -2.069665 6.995051 
1 1 1  -21   13    9 o 12.74121 4.054883 -0.6537313 1.510448  -1.100000 2.300000  0.2000000 4.400000   10.11398 4.587517   15.36845   6.687525 -5.254473 8.109766 
1 1 1  -21   13   10 o 13.92050 4.130450 0.8365080 1.565079  0.1000000 2.900000   1.700000 3.400000   12.61420 5.459006   15.22680   6.200139 -2.612608 8.260900 
1 1 1  -21   13   11 o 20.35011 4.558255  4.922500 1.988750  0.3000000 4.300000   8.900000 3.700000   14.98700 6.563987   25.71321   6.326518 -10.72621 9.116510 
1 1 1  -21   13   12 o 26.23532 5.027520  9.718182 2.181818   9.900000 4.000000   9.500000 4.800000   26.84611 6.561471   25.62453   7.619116 1.221586 10.05504 
1 1 1  -21   13   13 o 14.35741 4.229341  1.071642 1.674627   2.500000 3.300000 -0.4000000 3.400000   15.82654 6.220280   12.88828   5.732139 2.938256 8.458682 
1 1 1  -21   13   14 o 14.15157 4.301731 0.3232877 1.797260  -2.000000 3.200000   3.300000 4.100000   11.09646 5.167816   17.20668   6.878463 -6.110216 8.603462 
1 1 1  -21   13   15 o 18.01385 4.557786  2.712821 1.887179  -1.800000 3.200000   9.200000 4.600000   11.23914 5.211665   24.78856   7.478782 -13.54942 9.115571 
1 1 1  -21   13   16 o 15.24177 4.179509  2.335484 1.535484   3.600000 2.800000  0.8000000 3.400000   16.71763 5.887140   13.76591   5.934203 2.951719 8.359018 
1 1 1  -21   13   17 f 23.92855 4.489601  8.524324 1.837838   6.200000 4.000000   10.50000 3.400000   20.25447 7.042311   27.60263   5.570631 -7.348160 8.979202 
1 1 1  -20    0    1 o 416.2997 6.790448  1987.900 64.70000   1987.900 64.70000   1987.900 64.70000   416.2997 6.790448   416.2997   6.790448 0.000000 0.000000 
1 1 1  -20    0    2 o 58.29492 1.575601  39.00000 2.100000   39.00000 2.100000   39.00000 2.100000   58.29492 1.575601   58.29492   1.575601 0.000000 0.000000 
1 1 1  -20    0    3 o 318.5922 3.756567  1163.100 27.40000   1163.100 27.40000   1163.100 27.40000   318.5922 3.756567   318.5922   3.756567 0.000000 0.000000 
1 1 1  -20    0    4 o 151.2508 1.906081  262.1000 6.600000   262.1000 6.600000   262.1000 6.600000   151.2508 1.906081   151.2508   1.906081 0.000000 0.000000 
1 1 1  -20    0    5 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -20    0    6 o 163.6910 2.108164  307.0000 7.900000   307.0000 7.900000   307.0000 7.900000   163.6910 2.108164   163.6910   2.108164 0.000000 0.000000 
1 1 1  -20    0    7 o 12.23336 2.407258  1.900000 0.6000000   1.900000 0.6000000   1.900000 0.6000000   12.23336 2.407258   12.23336   2.407258 0.000000 0.000000 
1 1 1  -20    0    8 o 354.0749 4.157280  1436.700 33.70000   1436.700 33.70000   1436.700 33.70000   354.0749 4.157280   354.0749   4.157280 0.000000 0.000000 
1 1 1  -20    0    9 o 319.9643 3.931682  1173.200 28.80000   1173.200 28.80000   1173.200 28.80000   319.9643 3.931682   319.9643   3.931682 0.000000 0.000000 
1 1 1  -20    0   10 o 96.97916 1.712183  107.8000 3.800000   107.8000 3.800000   107.8000 3.800000   96.97916 1.712183   96.97916   1.712183 0.000000 0.000000 
1 1 1  -20    0   11 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -20    0   12 o 172.4093 2.381736  340.6000 9.400000   340.6000 9.400000   340.6000 9.400000   172.4093 2.381736   172.4093   2.381736 0.000000 0.000000 
1 1 1  -20    0   13 o 117.1137 1.977365  157.2000 5.300000   157.2000 5.300000   157.2000 5.300000   117.1137 1.977365   117.1137   1.977365 0.000000 0.000000 
1 1 1  -20    0   14 o 269.2679 3.406677  830.8000 21.00000   830.8000 21.00000   830.8000 21.00000   269.2679 3.406677   269.2679   3.406677 0.000000 0.000000 
1 1 1  -20    0   15 o 418.7478 4.923392  2009.600 47.20000   2009.600 47.20000   2009.600 47.20000   418.7478 4.923392   418.7478   4.923392 0.000000 0.000000 
1 1 1  -20    0   16 o 24.37192 3.877226  7.300000 2.000000   7.300000 2.000000   7.300000 2.000000   24.37192 3.877226   24.37192   3.877226 0.000000 0.000000 
1 1 1  -20    0   17 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -20    0   18 o 19.68350 5.630323  5.400000 2.200000   5.400000 2.200000   5.400000 2.200000   19.68350 5.630323   19.68350   5.630323 0.000000 0.000000 
1 1 1  -20    0   19 o 217.9024 3.127548  544.3000 15.60000   544.3000 15.60000   544.3000 15.60000   217.9024 3.127548   217.9024   3.127548 0.000000 0.000000 
1 1 1  -20    0   20 o 315.3628 4.016853  1140.400 29.00000   1140.400 29.00000   1140.400 29.00000   315.3628 4.016853   315.3628   4.016853 0.000000 0.000000 
1 1 1  -20    0   21 o 46.77068 2.633199  25.30000 2.800000   25.30000 2.800000   25.30000 2.800000   46.77068 2.633199   46.77068   2.633199 0.000000 0.000000 
1 1 1  -20    0   22 o 11.52095 6.815631  1.700000 3.100000   1.700000 3.100000   1.700000 3.100000   11.52095 6.815631   11.52095   6.815631 0.000000 0.000000 
1 1 1  -20    0   23 o 24.36334 5.552989  7.800000 2.700000   7.800000 2.700000   7.800000 2.700000   24.36334 5.552989   24.36334   5.552989 0.000000 0.000000 
1 1 1  -20    0   24 o 14.70483 7.329769  3.700000 3.000000   3.700000 3.000000   3.700000 3.000000   14.70483 7.329769   14.70483   7.329769 0.000000 0.000000 
1 1 1  -20    0   25 o 37.87207 3.407045  16.90000 2.900000   16.90000 2.900000   16.90000 2.900000   37.87207 3.407045   37.87207   3.407045 0.000000 0.000000 
1 1 1  -20    0   26 o 44.57482 2.666785  23.10000 2.700000   23.10000 2.700000   23.10000 2.700000   44.57482 2.666785   44.57482   2.666785 0.000000 0.000000 
1 1 1  -20    0   27 o 32.58427 4.375976  13.00000 3.100000   13.00000 3.100000   13.00000 3.100000   32.58427 4.375976   32.58427   4.375976 0.000000 0.000000 
1 1 1  -20    0   28 o 91.03701 2.305647  95.70000 4.800000   95.70000 4.800000   95.70000 4.800000   91.03701 2.305647   91.03701   2.305647 0.000000 0.000000 
1 1 1  -20    0   29 o 11.24438 7.101585  1.200000 3.900000   1.200000 3.900000   1.200000 3.900000   11.24438 7.101585   11.24438   7.101585 0.000000 0.000000 
1 1 1  -20    0   30 o 8.066757 5.437557 -0.9000000 2.900000 -0.9000000 2.900000 -0.9000000 2.900000   8.066757 5.437557   8.066757   5.437557 0.000000 0.000000 
1 1 1  -20    2    1 o 111.2016 1.477399  143.5376 2.316832   148.1000 3.600000   135.3000 6.500000   113.7211 1.382296   108.6821   2.611531 5.039047 2.954798 
1 1 1  -20    2    2 o 492.1746 4.694593  2768.265 33.16122   2741.000 51.60000   2817.300 92.80000   489.0370 4.607312   495.3121   8.181046 -6.275055 9.389187 
1 1 1  -20    2    3 o 133.7027 1.350625  204.2487 2.914530   214.9000 6.200000   194.8000 5.500000   136.9838 1.976343   130.4217   1.841419 6.562073 2.701250 
1 1 1  -20    2    4 o 388.3853 3.155833  1727.831 19.83741   1682.600 38.70000   1775.400 40.70000   383.1768 4.410131   393.5939   4.515292 -10.41708 6.311665 
1 1 1  -20    2    5 o 494.8208 5.799901  2811.378 46.46659   2780.400 91.70000   2843.200 94.20000   492.0690 8.137351   497.5726   8.266738 -5.503601 11.59980 
1 1 1  -20    2    6 f 338.5124 2.818461  1312.973 15.44935   1293.500 30.70000   1332.700 31.10000   335.9856 3.989857   341.0392   3.981950 -5.053558 5.636922 
1 1 1  -20    2    7 o 89.97042 1.047509  92.65574 1.521312   93.60000 3.200000   91.80000 2.900000   90.40681 1.545569   89.53403   1.414326 0.8727875 2.095019 
1 1 1  -20    2    8 o 350.4350 3.017248  1404.633 17.07504   1348.300 32.40000   1467.400 36.10000   343.0286 4.124340   357.8414   4.405106 -14.81277 6.034495 
1 1 1  -20    2    9 o 417.7319 3.544421  1999.939 23.96350   1981.600 46.90000   2019.100 49.00000   415.7818 4.925463   419.6819   5.098185 -3.900055 7.088841 
1 1 1  -20    2   10 o 311.2883 3.410883  1114.096 16.33274   1128.500 27.70000   1093.400 39.80000   313.8137 3.854319   308.7630   5.628563 5.050690 6.821767 
1 1 1  -20    2   11 o 170.1245 2.117621  327.7822 5.456087   314.2000 8.900000   349.3000 14.10000   165.6321 2.346308   174.6169   3.525921 -8.984756 4.235243 
1 1 1  -20    2   12 o 278.5547 2.922074  888.6622 12.77337   885.8000 22.30000   892.5000 29.90000   278.0590 3.501931   279.0503   4.678734 -0.9912720 5.844149 
1 1 1  -20    2   13 o 178.6427 2.303703  359.9158 5.973462   345.0000 9.300000   386.7000 16.70000   173.5627 2.339732   183.7227   3.969111 -10.16000 4.607406 
1 1 1  -20    2   14 o 157.3299 2.293517  272.2920 4.831859   252.5000 7.000000   316.4000 15.60000   148.4845 2.058527   166.1753   4.099189 -17.69078 4.587035 
1 1 1  -20    2   15 f 343.5819 4.130406  1352.700 32.50000   1352.700 32.50000          ?        ?   343.5819 4.130406          ?          ?       ?       ? 
1 1 1  -20    2   16 f 430.6887 4.360881  2146.412 29.81266   2306.100 55.00000   1957.400 65.10000   448.4352 5.355533   412.9422   6.883850 35.49304 8.721762 
1 1 1  -20    2   17 o 315.5424 3.333517  1148.430 15.38904   1168.200 24.60000   1115.400 41.10000   319.2959 3.364198   311.7890   5.755999 7.506836 6.667035 
1 1 1  -20    2   18 o 216.1111 2.219235  540.0389 7.174086   556.7000 11.80000   514.2000 18.30000   220.4417 2.337373   211.7805   3.773157 8.661194 4.438471 
1 1 1  -20    2   19 o 316.0192 3.189773  1156.907 14.90413   1192.400 24.20000   1100.000 38.80000   322.5340 3.276269   309.5043   5.473999 13.02966 6.379546 
1 1 1  -20    2   20 o 253.4507 2.614210  734.8260 9.672836   728.5000 15.30000   745.7000 26.30000   252.0985 2.650091   254.8028   4.507038 -2.704315 5.228420 
1 1 1  -20    2   21 o 84.49688 1.771709  82.51579 2.315789   85.80000 4.000000   78.00000 5.500000   86.52794 2.018568   82.46582   2.912248 4.062119 3.543417 
1 1 1  -20    2   22 o 38.61117 2.487773  17.39016 1.521312   20.10000 2.900000   14.40000 3.200000   41.84088 3.026474   35.38147   3.949243 6.459412 4.975547 
1 1 1  -20    2   23 o 88.11488 1.726767  90.24167 2.333333   95.20000 4.000000   83.30000 5.600000   91.10236 1.917212   85.12740   2.872489 5.974953 3.453533 
1 1 1  -20    2   24 o 75.51033 1.521664  65.25676 1.816216   63.70000 3.200000   67.30000 4.200000   74.49996 1.875572   76.52071   2.396680 -2.020744 3.043328 
1 1 1  -20    2   25 o 26.37863 3.305243  8.080000 1.320000   7.200000 2.200000   9.400000 3.300000   24.90781 3.856797   27.84945   5.368764 -2.941633 6.610485 
1 1 1  -20    2   26 o 79.46199 1.732326  73.90233 2.055814   77.50000 3.400000   68.40000 5.200000   82.08774 1.808591   76.83624   2.955132 5.251495 3.464651 
1 1 1  -20    2   27 o 46.90764 2.683501  25.60000 1.733333   24.80000 2.600000   27.20000 5.200000   46.23722 2.455395   47.57806   4.772394 -1.340843 5.367002 
1 1 1  -20    2   28 o 17.46401 3.984458  2.790141 1.619718   6.100000 2.500000  -3.300000 4.600000   21.83686 5.092643   13.09116   6.129323 8.745699 7.968915 
1 1 1  -20    2   29 o 15.87373 4.732926  1.028235 2.018823  -2.000000 3.300000   5.800000 5.200000   11.29383 5.255794   20.45363   7.872674 -9.159801 9.465853 
1 1 1  -20    2   30 o 27.25734 4.362409  9.700000 1.781818   6.100000 2.800000   16.00000 4.900000   21.00878 5.682486   33.50590   6.620558 -12.49712 8.724817 
1 1 1  -20    4    1 o 380.9391 3.891412  1666.849 23.49370   1633.000 53.00000   1693.800 42.20000   377.4133 6.131947   384.4648   4.792869 -7.051514 7.782825 
1 1 1  -20    4    2 o 256.0385 2.818543  757.6948 11.18253   712.1000 26.40000   791.2000 19.40000   249.2696 4.624601   262.8074   3.223323 -13.53781 5.637087 
1 1 1  -20    4    3 o 364.0148 3.784324  1525.452 21.79751   1467.900 49.10000   1571.400 39.20000   357.7563 5.992857   370.2733   4.622782 -12.51700 7.568648 
1 1 1  -20    4    4 o 346.6433 2.921744  1376.880 16.39756   1375.300 32.40000   1378.500 33.20000   346.4447 4.083671   346.8419   4.179711 -0.3971252 5.843488 
1 1 1  -20    4    5 o 209.5289 1.864385  502.2024 6.308300   488.4000 12.00000   517.5000 13.30000   206.4996 2.537475   212.5583   2.732205 -6.058701 3.728770 
1 1 1  -20    4    6 o 417.4366 3.454218  1997.109 23.34957   2006.800 46.90000   1987.500 46.50000   418.4445 4.894121   416.4289   4.875867 2.015594 6.908437 
1 1 1  -20    4    7 o 205.2075 1.964521  482.5207 6.524138   492.9000 12.90000   471.9000 13.20000   207.4425 2.715386   202.9725   2.839726 4.470047 3.929042 
1 1 1  -20    4    8 o 206.4202 1.892297  488.0648 6.324901   479.2000 12.60000   497.0000 12.70000   204.5378 2.689903   208.3026   2.662249 -3.764847 3.784594 
1 1 1  -20    4    9 o 334.7404 2.870385  1284.009 15.53392   1287.300 30.10000   1280.500 32.10000   335.1909 3.921154   334.2898   4.192968 0.9011230 5.740770 
1 1 1  -20    4   10 o 424.4456 3.549973  2064.550 24.40000   2056.300 48.80000   2072.800 48.80000   423.5969 5.030449   425.2944   5.010371 -1.697449 7.099946 
1 1 1  -20    4   11 o 439.0255 3.681390  2208.038 26.15492   2149.700 50.90000   2269.700 53.80000   433.0703 5.132147   444.9807   5.279355 -11.91037 7.362780 
1 1 1  -20    4   12 o 314.1525 2.761780  1130.324 14.04128   1111.700 27.40000   1149.900 28.80000   311.5021 3.840867   316.8029   3.969565 -5.300842 5.523560 
1 1 1  -20    4   13 o 308.8796 3.182767  1095.470 15.47000   1108.600 27.30000   1078.300 35.70000   311.0557 3.832341   306.7036   5.082637 4.352142 6.365535 
1 1 1  -20    4   14 o 352.7707 2.997734  1426.251 17.12409   1419.600 34.00000   1433.000 34.50000   351.9437 4.218378   353.5977   4.260391 -1.653961 5.995468 
1 1 1  -20    4   15 o 355.9969 3.820019  1456.439 21.29379   1434.000 49.80000   1473.200 37.20000   353.5113 6.151283   358.4826   4.531214 -4.971283 7.640038 
1 1 1  -20    4   16 o 291.0112 2.652280  970.1944 12.49020   996.1000 25.70000   945.7000 24.30000   294.7840 3.806878   287.2385   3.694055 7.545471 5.304560 
1 1 1  -20    4   17 f 80.97733 1.357372  75.27184 1.774648   80.30000 3.500000   70.10000 3.600000   83.72783 1.825315   78.22681   2.009493 5.501015 2.714745 
1 1 1  -20    4   18 o 132.5433 1.509158  201.3992 3.201550   203.0000 5.900000   199.5000 7.000000   133.1245 1.935235   131.9620   2.316267 1.162460 3.018316 
1 1 1  -20    4   19 o 204.5985 2.214327  479.0109 7.271672   466.8000 13.40000   493.5000 15.90000   201.7756 2.899852   207.4213   3.347213 -5.645691 4.428654 
1 1 1  -20    4   20 o 79.56419 1.564928  72.02250 1.938750   69.30000 3.300000   75.90000 4.700000   77.76712 1.852924   81.36127   2.522434 -3.594154 3.129856 
1 1 1  -20    4   21 o 116.4744 1.568534  155.2034 2.919492   159.5000 6.500000   151.7000 5.300000   117.9189 2.406965   115.0299   2.011893 2.888969 3.137067 
1 1 1  -20    4   22 o 27.10182 3.958997  8.947059 1.694118   6.300000 3.600000   11.30000 3.200000   22.93618 6.536351   31.26745   4.468864 -8.331274 7.917994 
1 1 1  -20    4   23 o 54.93893 2.305710  34.80000 1.898750   34.80000 3.100000   34.80000 4.900000   55.02015 2.460252   54.85771   3.900301 0.1624374 4.611420 
1 1 1  -20    4   24 o 51.80173 2.022666  30.92537 1.629851   30.80000 2.800000   31.10000 3.900000   51.73540 2.363251   51.86805   3.283253 -0.1326485 4.045332 
1 1 1  -20    4   25 o 62.10932 2.111738  44.78193 1.987952   45.10000 3.300000   44.30000 5.000000   62.53599 2.304218   61.68266   3.539539 0.8533363 4.223477 
1 1 1  -20    4   26 o 43.07799 2.940947  22.63684 1.740790   24.20000 2.700000   19.80000 4.900000   45.67283 2.581342   40.48315   5.285201 5.189678 5.881894 
1 1 1  -20    4   27 o 19.99803 3.758940  4.988000 1.232000   3.800000 2.200000   6.500000 2.800000   17.43754 5.151784   22.55851   5.475182 -5.120974 7.517879 
1 1 1  -20    4   28 o 37.25503 2.947963  17.41765 1.686765   20.70000 3.100000   13.50000 3.700000   41.67632 3.247970   32.83374   4.920634 8.842583 5.895926 
1 1 1  -20    4   29 o 30.16313 3.833712  11.75342 1.783562   6.700000 3.100000   18.60000 4.200000   22.00956 5.990044   38.31670   4.786311 -16.30714 7.667425 
1 1 1  -20    6    1 o 336.0829 2.954183  1294.702 16.07496   1263.700 32.10000   1325.800 32.20000   332.0493 4.221261   340.1166   4.133974 -8.067383 5.908365 
1 1 1  -20    6    2 o 332.9583 2.870949  1270.456 15.46591   1270.200 31.70000   1270.700 30.20000   332.9190 4.157769   332.9976   3.960095 -0.7852173E-01 5.741899 
1 1 1  -20    6    3 o 309.5034 2.718680  1097.667 13.62495   1115.900 27.30000   1079.500 27.20000   312.0708 3.819876   306.9361   3.869551 5.134674 5.437359 
1 1 1  -20    6    4 o 220.4134 2.017246  556.4500 7.198611   560.1000 14.60000   552.9000 14.20000   221.1255 2.883061   219.7013   2.822250 1.424194 4.034493 
1 1 1  -20    6    5 o 333.0580 2.939758  1270.074 15.81451   1246.400 30.20000   1296.100 33.20000   329.8116 3.998349   336.3044   4.310675 -6.492767 5.879516 
1 1 1  -20    6    6 o 178.9193 1.811906  366.5338 5.248095   355.4000 10.30000   378.1000 10.70000   176.1503 2.553252   181.6884   2.571558 -5.538086 3.623811 
1 1 1  -20    6    7 o 273.1854 2.384952  854.8901 10.54621   849.2000 20.70000   860.8000 21.50000   272.2609 3.319899   274.1098   3.424945 -1.848969 4.769903 
1 1 1  -20    6    8 o 258.1023 2.357104  763.0833 9.843656   758.6000 19.20000   767.8000 20.20000   257.3274 3.258029   258.8772   3.407198 -1.549805 4.714208 
1 1 1  -20    6    9 o 82.80911 1.213002  78.36923 1.615385   80.90000 3.500000   76.20000 3.000000   84.04737 1.818376   81.57086   1.605927 2.476509 2.426003 
1 1 1  -20    6   10 o 244.7704 2.308502  686.2697 9.145629   694.7000 18.70000   678.2000 17.90000   246.2391 3.316075   243.3016   3.212534 2.937485 4.617004 
1 1 1  -20    6   11 f 341.2214 3.654461  1334.053 19.80573   1345.100 44.80000   1325.300 35.50000   342.4309 5.712743   340.0119   4.559046 2.419067 7.308922 
1 1 1  -20    6   12 o 283.2925 3.215828  911.3055 14.02397   968.6000 35.00000   873.0000 23.40000   290.5883 5.259321   275.9968   3.702128 14.59143 6.431657 
1 1 1  -20    6   13 f 207.7186 2.582475  486.8875 8.096793   530.4000 21.20000   460.0000 13.10000   215.0693 4.304247   200.3679   2.854848 14.70139 5.164949 
1 1 1  -20    6   14 f 170.0116 2.271919  328.9415 5.853659   342.6000 15.00000   320.2000 9.600000   172.8517 3.789285   167.1714   2.507546 5.680298 4.543839 
1 1 1  -20    6   15 o 260.1882 3.211812  764.0065 12.64486   837.1000 33.00000   718.6000 20.50000   270.0157 5.336598   250.3606   3.575424 19.65517 6.423624 
1 1 1  -20    6   16 o 212.6333 2.494573  520.4692 8.234320   506.9000 19.60000   530.3000 14.20000   210.1786 4.071995   215.0881   2.882782 -4.909439 4.989145 
1 1 1  -20    6   17 f 212.6455 2.576627  515.6519 8.474074   537.4000 20.80000   500.7000 14.30000   216.3314 4.198397   208.9596   2.988226 7.371811 5.153255 
1 1 1  -20    6   18 o 76.23354 1.658330  66.93333 2.000000   69.20000 3.600000   64.10000 4.500000   77.70410 2.023011   74.76299   2.628244 2.941116 3.316661 
1 1 1  -20    6   19 f 108.9674 1.672580  136.2339 2.949153   138.2000 5.800000   134.2000 6.000000   109.7719 2.307153   108.1628   2.422217 1.609100 3.345159 
1 1 1  -20    6   20 o 58.48489 1.930264  39.27260 1.816438   39.70000 3.900000   38.90000 3.400000   58.77007 2.897665   58.19971   2.550925 0.5703506 3.860529 
1 1 1  -20    6   21 o 140.7134 1.744502  227.5730 3.974843   223.3000 7.900000   231.9000 8.000000   139.3824 2.474907   142.0444   2.459266 -2.662048 3.489005 
1 1 1  -20    6   22 o 35.06124 3.346461  14.34342 1.898684   14.10000 3.700000   14.60000 3.900000   34.76776 4.646915   35.35472   4.816781 -0.5869637 6.692922 
1 1 1  -20    6   23 o 15.96661 4.308021  2.138710 1.509677   1.300000 2.600000   3.300000 3.600000   13.84370 5.495653   18.08952   6.635810 -4.245816 8.616041 
1 1 1  -20    6   24 o 36.30531 2.723765  15.42813 1.593750   15.10000 3.000000   15.80000 3.400000   35.93761 3.645120   36.67300   4.048295 -0.7353973 5.447531 
1 1 1  -20    6   25 o 37.46873 2.728242  16.67576 1.648485   17.50000 3.200000   15.80000 3.400000   38.49898 3.629447   36.43848   4.074351 2.060501 5.456485 
1 1 1  -20    6   26 o 29.28070 4.117331  11.16000 1.800000   11.40000 3.000000   10.80000 4.500000   30.61279 4.279156   27.94860   7.035515 2.664183 8.234661 
1 1 1  -20    6   27 o 21.97258 4.324403  6.346914 2.009876  0.1000000 4.400000   11.60000 3.700000   14.57530 6.498969   29.36986   5.706597 -14.79456 8.648806 
1 1 1  -20    6   28 f 21.52341 4.393873  6.325000 1.794444   2.500000 3.400000   10.60000 3.800000   15.53783 6.245210   27.50899   6.182382 -11.97116 8.787746 
1 1 1  -20    8    1 o 135.7130 1.754273  210.6565 3.826623   206.0000 7.100000   216.1000 8.300000   134.0942 2.312001   137.3318   2.639044 -3.237564 3.508547 
1 1 1  -20    8    2 o 309.6249 2.772702  1099.026 13.88849   1088.100 27.00000   1110.600 28.60000   308.0511 3.827195   311.1988   4.012989 -3.147614 5.545403 
1 1 1  -20    8    3 o 167.0757 1.894402  319.8658 5.124878   312.9000 10.20000   326.9000 10.30000   165.2468 2.695297   168.9046   2.662781 -3.657806 3.788803 
1 1 1  -20    8    4 o 163.3446 1.767157  305.2882 4.668449   285.7000 9.000000   326.4000 9.700000   157.9084 2.488725   168.7808   2.509507 -10.87234 3.534314 
1 1 1  -20    8    5 o 65.59375 1.819433  49.29091 1.909091   49.20000 3.500000   49.40000 4.200000   65.53115 2.332169   65.65635   2.793266 -0.1251984 3.638866 
1 1 1  -20    8    6 o 104.0062 1.663790  124.0000 2.800000   118.3000 5.600000   129.7000 5.600000   101.6131 2.406456   106.3993   2.298207 -4.786133 3.327579 
1 1 1  -20    8    7 o 63.03226 1.668582  45.27353 1.676471   43.20000 3.000000   47.90000 3.800000   61.40842 2.133207   64.65611   2.566337 -3.247688 3.337164 
1 1 1  -20    8    8 o 177.4930 1.914112  361.0150 5.499546   346.3000 10.90000   376.0000 11.10000   173.8409 2.737879   181.1452   2.675691 -7.304291 3.828225 
1 1 1  -20    8    9 o 30.80281 3.312660  11.35574 1.455738   12.30000 2.400000   9.900000 3.700000   32.75901 3.199044   28.84661   5.801808 3.912401 6.625319 
1 1 1  -20    8   10 o 209.0497 2.105295  499.7733 7.093333   482.6000 13.30000   519.4000 15.20000   205.2180 2.829932   212.8815   3.117780 -7.663483 4.210589 
1 1 1  -20    8   11 o 123.3857 1.738736  174.0245 3.466187   159.4000 6.600000   190.2000 7.300000   117.9405 2.443547   128.8309   2.474245 -10.89036 3.477471 
1 1 1  -20    8   12 o 93.94347 1.660367  101.1683 2.524752   99.30000 5.100000   103.0000 5.000000   93.08279 2.392437   94.80415   2.302939 -1.721352 3.320735 
1 1 1  -20    8   13 o 103.5382 1.550393  122.7115 2.596154   127.8000 5.400000   118.0000 5.000000   105.6015 2.232870   101.4749   2.151549 4.126625 3.100786 
1 1 1  -20    8   14 o 152.9836 1.756055  268.3500 4.350000   272.5000 8.700000   264.2000 8.700000   154.1681 2.464134   151.7991   2.502590 2.369049 3.512110 
1 1 1  -20    8   15 o 52.25845 2.338901  31.71539 1.944872   35.70000 3.700000   27.30000 4.100000   55.77530 2.896673   48.74159   3.673025 7.033707 4.677802 
1 1 1  -20    8   16 o 57.81579 1.762896  37.88182 1.612121   34.70000 2.800000   42.20000 3.800000   55.00230 2.222884   60.62928   2.736786 -5.626976 3.525793 
1 1 1  -20    8   17 o 72.16763 1.712726  59.77000 1.995000   59.20000 3.800000   60.40000 4.200000   71.81435 2.310532   72.52091   2.528865 -0.7065582 3.425452 
1 1 1  -20    8   18 o 92.16397 1.423989  97.50471 2.124706   97.10000 4.300000   97.90000 4.200000   91.97183 2.041518   92.35611   1.985744 -0.3842773 2.847978 
1 1 1  -20    8   19 o 68.43854 1.620514  54.03380 1.746479   55.30000 3.100000   52.40000 4.000000   69.39655 1.950579   67.48051   2.588340 1.916039 3.241028 
1 1 1  -20    8   20 o 42.47207 2.513264  20.88551 1.715942   20.70000 3.200000   21.10000 3.700000   42.30263 3.303105   42.64151   3.788863 -0.3388748 5.026528 
1 1 1  -20    8   21 o 45.99767 2.214981  24.53030 1.648485   25.20000 3.400000   23.90000 3.200000   46.59639 3.186151   45.39894   3.077825 1.197445 4.429963 
1 1 1  -20    8   22 o 40.61047 2.356075  18.70000 1.470968   16.30000 2.400000   22.50000 3.800000   37.46301 2.797360   43.75794   3.791983 -6.294937 4.712150 
1 1 1  -20    8   23 o 37.89693 3.393444  17.47805 2.039024   19.10000 3.800000   15.60000 4.400000   40.05612 4.142422   35.73774   5.376075 4.318382 6.786888 
1 1 1  -20    8   24 o 15.48105 4.618979  1.300000 2.000000  0.3000000 4.000000   2.300000 4.000000   14.52003 6.345893   16.44207   6.713382 -1.922037 9.237957 
1 1 1  -20    8   25 o 11.90145 3.830311 -1.764179 1.671642  -4.200000 3.200000  0.9000000 3.500000   9.750730 4.713418   14.05217   6.038941 -4.301445 7.660622 
1 1 1  -20    8   26 o 35.28214 4.086369  16.72667 2.248889   13.50000 4.400000   20.10000 4.600000   31.06215 6.398286   39.50212   5.084838 -8.439962 8.172738 
1 1 1  -20   10    1 o 154.4926 1.868902  273.9572 4.668449   269.0000 9.000000   279.3000 9.700000   153.0544 2.567653   155.9309   2.716310 -2.876419 3.737804 
1 1 1  -20   10    2 o 39.23095 2.987729  17.82800 1.848000   18.40000 3.300000   17.10000 4.200000   39.98606 3.603670   38.47584   4.766514 1.510227 5.975458 
1 1 1  -20   10    3 o 55.05727 2.411565  34.58604 2.120930   32.20000 3.800000   37.60000 4.800000   52.94108 3.134227   57.17345   3.665951 -4.232365 4.823129 
1 1 1  -20   10    4 o 104.8112 1.801769  125.5262 3.009836   121.1000 5.400000   131.1000 6.800000   102.7528 2.294773   106.8695   2.778399 -4.116730 3.603538 
1 1 1  -20   10    5 o 106.3780 1.743248  129.2600 2.970000   123.5000 5.400000   136.3000 6.600000   103.7708 2.272263   108.9853   2.644331 -5.214546 3.486497 
1 1 1  -20   10    6 o 54.83379 2.384847  34.59167 2.070238   34.90000 3.700000   34.20000 4.700000   55.13489 2.930319   54.53268   3.763403 0.6022148 4.769693 
1 1 1  -20   10    7 o 31.66658 3.541389  11.27260 1.767123   9.300000 3.000000   14.10000 4.300000   28.40269 4.612129   34.93046   5.375314 -6.527771 7.082778 
1 1 1  -20   10    8 o 59.70799 2.014088  41.25394 1.835526   42.60000 3.100000   39.30000 4.500000   60.94344 2.221132   58.47253   3.360472 2.470909 4.028176 
1 1 1  -20   10    9 o 49.86626 2.108374  28.60000 1.700000   26.80000 3.400000   30.40000 3.400000   48.29009 3.074402   51.44244   2.886005 -3.152355 4.216749 
1 1 1  -20   10   10 o 108.4004 1.794174  134.8000 3.146825   128.7000 6.100000   141.3000 6.500000   105.8722 2.515867   110.9286   2.558643 -5.056374 3.588347 
1 1 1  -20   10   11 o 61.24031 1.946178  43.02727 1.909091   43.90000 4.200000   42.30000 3.500000   61.79115 2.967992   60.68947   2.518224 1.101677 3.892355 
1 1 1  -20   10   12 o 46.15153 2.805824  24.69759 2.050602   25.50000 3.700000   23.70000 4.600000   47.04390 3.434299   45.25916   4.438038 1.784737 5.611648 
1 1 1  -20   10   13 o 50.39977 2.286997  28.42000 1.800000   23.90000 3.000000   35.20000 4.500000   45.57023 2.874615   55.22930   3.557810 -9.659065 4.573994 
1 1 1  -20   10   14 o 23.35727 3.969042  6.650000 1.500000   5.100000 3.000000   8.200000 3.000000   20.63394 5.993305   26.08060   5.205140 -5.446655 7.938085 
1 1 1  -20   10   15 o 24.88099 3.887731  7.521311 1.514754   7.900000 3.300000   7.200000 2.800000   25.41150 5.798541   24.35047   5.180224 1.061024 7.775461 
1 1 1  -20   10   16 o 33.54781 3.155896  12.75000 1.580882   11.50000 2.500000   14.90000 4.300000   31.50578 3.464890   35.58984   5.275724 -4.084059 6.311792 
1 1 1  -20   10   17 f 39.68650 2.746265  18.22754 1.620290   17.70000 2.600000   19.10000 4.300000   39.10088 2.903532   40.27212   4.662337 -1.171246 5.492530 
1 1 1  -20   10   18 o 44.02861 2.787722  22.74430 1.972152   27.00000 4.100000   18.80000 3.800000   48.05592 3.725432   40.00129   4.148100 8.054630 5.575444 
1 1 1  -20   10   19 o 44.72153 2.305076  23.38485 1.612121   23.30000 2.800000   23.50000 3.800000   44.76807 2.731048   44.67499   3.714145 0.9308624E-01 4.610151 
1 1 1  -20   10   20 o 34.57657 3.213169  14.26250 1.787500   13.30000 3.300000   15.40000 3.900000   33.38518 4.316184   35.76796   4.761131 -2.382778 6.426337 
1 1 1  -20   10   21 o 19.07247 3.471174  3.867857 1.392857   9.600000 3.000000  -1.100000 2.600000   27.44611 4.955219   10.69882   4.862304 16.74729 6.942348 
1 1 1  -20   10   22 o 26.31933 4.066738  9.282353 1.627941   9.600000 2.700000   8.800000 4.100000   27.89021 4.227189   24.74845   6.948691 3.141762 8.133476 
1 1 1  -20   10   23 o 21.01048 3.504387  5.954902 1.262745   8.300000 2.300000   3.100000 2.800000   26.05031 3.855268   15.97066   5.853189 10.07965 7.008774 
1 1 1  -20   10   24 o 21.92894 5.227321  7.596591 2.171591   6.400000 3.900000   9.100000 4.900000   20.43238 6.959836   23.42551   7.801295 -2.993124 10.45464 
1 1 1  -20   12    1 o 31.20388 3.682765  11.37500 1.687500   10.10000 2.700000   13.50000 4.500000   29.37950 4.012906   33.02826   6.176377 -3.648756 7.365531 
1 1 1  -20   12    2 o 47.05873 2.657470  25.78518 2.017284   24.80000 3.800000   26.90000 4.300000   46.13951 3.596253   47.97795   3.913510 -1.838444 5.314941 
1 1 1  -20   12    3 o 24.57708 4.993065  7.411628 2.139535   4.900000 4.000000   10.30000 4.600000   20.61780 7.048375   28.53636   7.074123 -7.918562 9.986131 
1 1 1  -20   12    4 o 19.78701 4.184152  4.720339 1.474576   3.500000 3.000000   5.900000 2.900000   17.72402 6.102422   21.84999   5.726165 -4.125973 8.368304 
1 1 1  -20   12    5 o 14.81728 4.258949  1.198437 1.585938  0.7000000 2.900000   1.800000 3.500000   13.63070 5.656034   16.00385   6.368977 -2.373153 8.517898 
1 1 1  -20   12    6 o 23.22380 3.774849  6.531667 1.498333   3.100000 2.900000   10.20000 3.100000   16.98819 5.990384   29.45941   4.594914 -12.47121 7.549698 
1 1 1  -20   12    7 o 37.81165 2.812605  16.32899 1.663768   14.30000 2.800000   19.30000 4.100000   35.06857 3.486419   40.55472   4.414506 -5.486149 5.625210 
1 1 1  -20   12    8 o 21.81561 4.530557  5.780000 1.800000   7.700000 3.000000   2.900000 4.500000   25.01316 5.395630   18.61806   7.279489 6.395102 9.061113 
1 1 1  -20   12    9 o 16.36403 3.491598  1.214815 1.320370  -3.300000 2.300000   7.300000 3.100000   8.457182 4.064931   24.27087   5.678148 -15.81369 6.983197 
1 1 1  -20   12   10 o 20.67824 4.537259  5.087324 1.757746   3.000000 3.900000   6.800000 3.200000   17.98441 6.842880   23.37208   5.960021 -5.387676 9.074517 
1 1 1  -20   12   11 o 42.03965 2.746293  20.62973 1.837838   15.30000 3.400000   26.90000 4.000000   36.09193 4.113472   47.98737   3.639760 -11.89544 5.492587 
1 1 1  -20   12   12 o 44.92833 2.995217  23.85172 2.172414   21.10000 4.200000   26.80000 4.500000   42.20875 4.344967   47.64792   4.123901 -5.439171 5.990434 
1 1 1  -20   12   13 o 13.81249 4.000938      0.07 1.593846  -3.400000 3.700000   2.700000 2.800000   11.60316 5.453159   16.02182   5.856030 -4.418662 8.001877 
1 1 1  -20   12   14 o 36.66348 3.822382  16.88140 2.139535   19.30000 4.000000   14.10000 4.600000   40.16828 4.348269   33.15866   6.287684 7.009617 7.644764 
1 1 1  -20   12   15 o 12.63887 3.954010 -0.6000000 1.600000  -1.000000 3.200000 -0.2000000 3.200000   12.27201 5.501986   13.00573   5.680223 -0.7337246 7.908020 
1 1 1  -20   12   16 o 30.59584 3.867980  13.06883 1.924675   3.100000 3.800000   23.30000 3.900000   17.19063 6.698216   44.00105   3.870270 -26.81042 7.735961 
1 1 1  -20   12   17 o 31.73166 3.676505  12.68333 1.765278   7.000000 3.100000   20.20000 4.100000   22.89049 5.881860   40.57282   4.412537 -17.68233 7.353010 
1 1 1  -20   12   18 o 23.54429 4.906855  8.134884 2.120930   10.30000 3.800000   5.400000 4.800000   27.22721 6.229243   19.86137   7.583235 7.365845 9.813710 
1 1 1  -20   12   19 o 15.09477 4.305700  2.156923 1.621538   2.000000 3.400000   2.300000 3.100000   15.08140 6.177234   15.10815   5.999833 -0.2674961E-01 8.611401 
1 1 1  -20   12   20 o 15.02556 4.310464  1.300000 1.824658  -2.300000 3.600000   5.000000 3.700000   11.41938 5.370694   18.63175   6.743592 -7.212368 8.620928 
1 1 1  -20   14    1 o 16.57668 4.767965  2.735000 1.955000   4.000000 4.600000   1.800000 3.400000   18.29608 7.295133   14.85729   6.141255 3.438793 9.535931 
1 1 1  -20   14    2 o 18.63988 4.499674  4.530435 1.724638   6.600000 3.400000   2.400000 3.500000   21.63731 6.407627   15.64244   6.319066 5.994868 8.999349 
1 1 1  -20   14    3 o 15.81835 4.700237  1.843902 2.030488  0.4000000 3.700000   3.600000 4.500000   13.85039 6.076931   17.78631   7.172155 -3.935922 9.400474 
1 1 1  -20   14    4 o 14.70325 4.467355 0.9000000 1.950000 -0.6000000 3.900000   2.400000 3.900000   13.34563 6.020770   16.06087   6.601467 -2.715242 8.934710 
1 1 1  -20   14    5 o 25.38543 4.356736  8.802816 1.732394   8.000000 3.000000   9.900000 4.100000   24.43880 5.493786   26.33205   6.763351 -1.893255 8.713472 
1 1 1  -20   14    6 f 15.78155 4.495973  2.309859 1.746479   1.000000 3.100000   4.000000 4.000000   13.58504 5.755577   17.97806   6.908576 -4.393028 8.991945 
1 1 1  -20   14    7 o 14.08326 4.092402 0.9656717 1.611940   2.900000 2.700000  -1.900000 4.000000   15.58142 5.742085   12.58510   5.832621 2.996315 8.184804 
1 1 1  -20   14    8 o 17.29571 4.846965  2.114607 2.202247  -2.200000 4.000000   7.400000 4.900000   12.37806 5.769061   22.21335   7.790392 -9.835290 9.693930 
1 1 1  -20   14    9 o 13.46815 4.317194 -0.7864197 2.009876  0.3000000 4.400000  -1.700000 3.700000   14.72500 6.536253   12.21130   5.641812 2.513703 8.634388 
1 1 1  -20   14   10 o 19.56514 4.996422  4.944828 2.172414   2.100000 4.500000   7.600000 4.200000   16.36313 6.933637   22.76714   7.195943 -6.404009 9.992844 
1 1 1  -20   14   11 o 14.13006 4.210886  1.198485 1.643939   2.100000 3.500000  0.4000000 3.100000   15.31583 6.269662   12.94429   5.622953 2.371536 8.421773 
1 1 1  -20   14   12 o 16.01878 4.629454  2.381013 1.921519   3.300000 3.300000   1.100000 4.600000   16.52546 6.292912   15.51210   6.791659 1.013354 9.258907 
1 1 1  -20   14   13 o 9.684692 3.375898 -5.007353 1.627941  -6.000000 2.700000  -3.500000 4.100000   7.758352 3.860684   11.61103   5.539121 -3.852680 6.751795 
1 1 1  -20   14   14 o 19.40991 4.773445  5.644595 1.828378   5.700000 4.100000   5.600000 3.300000   19.37053 7.085296   19.44929   6.398570 -0.7876015E-01 9.546890 
1 1 1  -19    1    1 o 529.4867 5.086866  3208.423 38.34356   3186.300 59.30000   3248.900 108.5000   527.2297 4.911278   531.7438   8.909781 -4.514099 10.17373 
1 1 1  -19    1    2 o 264.2833 2.628953  797.3793 10.03356   789.8000 15.70000   810.8000 27.80000   262.5901 2.610724   265.9764   4.563956 -3.386261 5.257905 
1 1 1  -19    1    3 o 291.4311 2.839441  965.3397 11.90559   945.2000 18.50000   1001.700 33.40000   287.2558 2.812177   295.6064   4.933696 -8.350616 5.678882 
1 1 1  -19    1    4 o 462.7289 5.298180  2458.474 39.69975   2468.000 79.20000   2448.900 79.60000   463.6332 7.459167   461.8246   7.526200 1.808685 10.59636 
1 1 1  -19    1    5 o 89.53610 1.481184  90.67674 2.108140   102.3000 4.900000   81.90000 3.700000   94.50779 2.263957   84.56441   1.910530 9.943382 2.962368 
1 1 1  -19    1    6 o 82.06494 0.9993357  77.87647 1.192157   74.30000 3.200000   80.00000 1.900000   80.54662 1.734772   83.58327  0.9925992 -3.036659 1.998671 
1 1 1  -19    1    7 o 321.1238 3.135259  1174.099 14.57468   1210.600 40.40000   1153.500 22.80000   324.9295 5.429151   317.3180   3.137471 7.611481 6.270519 
1 1 1  -19    1    8 o 224.3494 2.016545  576.5594 7.322867   577.1000 14.40000   576.0000 14.90000   224.4578 2.801350   224.2410   2.901423 0.2168579 4.033090 
1 1 1  -19    1    9 o 247.7541 2.230900  702.2363 8.927374   681.2000 17.00000   725.5000 18.80000   243.8558 3.044076   251.6525   3.262093 -7.796707 4.461799 
1 1 1  -19    1   10 o 522.4237 4.308626  3129.509 36.43841   3099.700 71.60000   3160.400 74.20000   519.9012 6.013563   524.9462   6.172041 -5.044922 8.617252 
1 1 1  -19    1   11 o 682.9432 7.940042  5370.279 87.77084   5625.700 178.8000   5124.000 172.4000   698.9092 11.17086   666.9772   11.28667 31.93195 15.88008 
1 1 1  -19    1   12 o 220.6990 2.579812  559.7143 8.914286   569.4000 15.60000   546.8000 20.80000   222.9515 3.055300   218.4465   4.157746 4.505005 5.159624 
1 1 1  -19    1   13 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -19    1   14 o 151.0408 2.040727  256.0052 4.067895   247.0000 5.900000   276.0000 13.10000   146.8628 1.754203   155.2189   3.685246 -8.356064 4.081454 
1 1 1  -19    1   15 o 232.6558 2.643460  615.2273 9.328317   597.0000 15.30000   643.7000 23.90000   228.2988 2.926359   237.0128   4.403174 -8.713989 5.286919 
1 1 1  -19    1   16 o 560.7795 9.157036  3614.400 117.6000   3614.400 117.6000          ?        ?   560.7795 9.157036          ?          ?       ?       ? 
1 1 1  -19    1   17 f 139.5070 1.792171  226.7064 3.735897   240.1000 6.200000   206.4000 9.400000   144.7903 1.869786   134.2236   3.058008 10.56671 3.584343 
1 1 1  -19    1   18 o 247.9249 2.829879  705.0139 9.741340   705.8000 14.80000   703.5000 28.50000   248.2099 2.603648   247.6398   5.025324 0.5700989 5.659758 
1 1 1  -19    1   19 o 213.8519 2.289752  525.3237 7.648562   531.4000 13.30000   517.1000 18.00000   215.3452 2.696847   212.3586   3.701199 2.986588 4.579504 
1 1 1  -19    1   20 o 153.2704 1.839166  269.4933 4.303911   270.7000 7.200000   267.7000 10.70000   153.7193 2.045238   152.8215   3.057307 0.8978271 3.678331 
1 1 1  -19    1   21 o 209.0700 2.242433  505.3622 7.135135   521.7000 12.00000   481.4000 17.60000   213.3418 2.456095   204.7982   3.752548 8.543564 4.484865 
1 1 1  -19    1   22 o 128.5267 1.857033  188.8074 3.414765   187.1000 5.300000   191.9000 9.600000   127.7726 1.811247   129.2807   3.242480 -1.508041 3.714067 
1 1 1  -19    1   23 o 117.0375 1.887662  160.2540 3.249635   169.5000 5.300000   145.6000 8.400000   121.5708 1.903646   112.5042   3.260245 9.066620 3.775324 
1 1 1  -19    1   24 o 42.11018 2.381050  20.38437 1.543750   20.10000 2.600000   20.80000 3.800000   41.80129 2.715960   42.41908   3.911669 -0.6177902 4.762099 
1 1 1  -19    1   25 o 56.71613 2.372801  37.05714 1.928571   36.70000 3.000000   37.70000 5.400000   56.47997 2.319351   56.95228   4.140210 -0.4723091 4.745601 
1 1 1  -19    1   26 o 43.40504 2.702826  22.30556 1.661111   23.10000 2.600000   20.90000 4.600000   44.72288 2.538536   42.08720   4.772517 2.635674 5.405653 
1 1 1  -19    1   27 o 71.45947 1.670344  58.45714 1.870130   54.80000 3.200000   63.60000 4.500000   68.90180 2.027959   74.01715   2.654727 -5.115349 3.340687 
1 1 1  -19    1   28 o 36.83912 2.954217  15.52794 1.451470   14.20000 2.100000   18.50000 4.700000   34.89717 2.627657   38.78106   5.291976 -3.883888 5.908434 
1 1 1  -19    1   29 o 38.06747 3.625047  19.08481 1.835443   20.70000 2.900000   16.30000 5.000000   41.72183 3.035110   34.41310   6.584221 7.308727 7.250093 
1 1 1  -19    1   30 o 15.82047 4.091356  2.097015 1.644776   5.300000 2.900000  -2.100000 3.800000   19.57815 5.945191   12.06279   5.622410 7.515358 8.182713 
1 1 1  -19    3    1 f 474.3592 3.957738  2580.576 30.39474   2575.000 60.00000   2586.300 61.60000   473.8489 5.529057   474.8694   5.664299 -1.020569 7.915476 
1 1 1  -19    3    2 o 256.5648 2.280536  753.8662 9.469657   742.2000 18.50000   766.1000 19.40000   254.5339 3.173700   258.5957   3.275820 -4.061829 4.561071 
1 1 1  -19    3    3 o 303.7147 2.597384  1056.637 12.77260   1076.100 25.90000   1037.700 25.20000   306.4729 3.690179   300.9566   3.656255 5.516327 5.194768 
1 1 1  -19    3    4 o 103.3531 1.393814  121.1609 2.191304   116.7000 3.600000   128.1000 5.600000   100.9483 1.557196   105.7579   2.312145 -4.809555 2.787628 
1 1 1  -19    3    5 o 160.1584 1.860797  292.5455 4.632461   286.3000 7.900000   301.4000 11.20000   158.1077 2.181795   162.2091   3.014967 -4.101395 3.721593 
1 1 1  -19    3    6 o 210.2132 2.374576  505.3359 7.804688   500.4000 13.50000   512.1000 18.50000   209.0128 2.820334   211.4135   3.821015 -2.400665 4.749151 
1 1 1  -19    3    7 o 172.2297 2.014796  340.8380 5.370136   346.0000 9.200000   333.6000 12.90000   173.8107 2.311272   170.6488   3.300853 3.161880 4.029592 
1 1 1  -19    3    8 o 414.6760 3.517737  1969.008 23.58878   1905.400 45.40000   2037.800 49.10000   407.7219 4.862186   421.6302   5.084983 -13.90826 7.035475 
1 1 1  -19    3    9 o 510.2720 4.181457  2986.020 34.52656   3026.600 70.90000   2947.500 67.30000   513.6323 6.027451   506.9118   5.797255 6.720490 8.362914 
1 1 1  -19    3   10 o 247.7136 2.312170  702.9221 9.274394   706.4000 18.70000   699.5000 18.40000   248.3208 3.288276   247.1063   3.251425 1.214523 4.624340 
1 1 1  -19    3   11 o 520.5692 4.342021  3107.662 36.59016   3119.300 74.40000   3096.400 72.00000   521.5164 6.229377   519.6220   6.050408 1.894409 8.684042 
1 1 1  -19    3   12 o 272.6100 2.457758  851.0844 10.84424   865.1000 22.20000   837.7000 21.20000   274.8016 3.527552   270.4184   3.423256 4.383270 4.915517 
1 1 1  -19    3   13 o 291.6821 2.519870  974.2832 11.88655   962.3000 23.00000   987.1000 24.60000   289.8304 3.465163   293.5338   3.659457 -3.703461 5.039740 
1 1 1  -19    3   14 o 630.6191 10.89184  0.000000 0.000000          ?        ?   4573.800 157.3000          ?        ?   630.6191   10.89184       ?       ? 
1 1 1  -19    3   15 o 501.3732 5.874840  2886.888 47.68821   2958.700 96.90000   2817.300 93.90000   507.5056 8.337247   495.2409   8.279208 12.26468 11.74968 
1 1 1  -19    3   16 o 151.1874 1.532988  261.9500 3.750000   274.4000 7.500000   249.5000 7.500000   154.7832 2.115812   147.5916   2.218908 7.191559 3.065977 
1 1 1  -19    3   17 o 577.0439 10.26859  0.000000 0.000000          ?        ?   3841.200 135.7000          ?        ?   577.0439   10.26859       ?       ? 
1 1 1  -19    3   18 o 325.1234 4.069434  1212.400 30.30000   1212.400 30.30000          ?        ?   325.1234 4.069434          ?          ?       ?       ? 
1 1 1  -19    3   19 o 105.0737 1.603493  126.5826 2.722936   129.5000 5.300000   123.5000 5.600000   106.3218 2.176673   103.8256   2.355176 2.496246 3.206986 
1 1 1  -19    3   20 o 187.6358 2.343422  404.9635 6.108487   407.4000 9.300000   400.3000 17.80000   188.5543 2.153705   186.7173   4.162700 1.836975 4.686845 
1 1 1  -19    3   21 o 70.94322 1.573663  57.58889 1.777778   56.70000 3.200000   58.70000 4.000000   70.33655 1.986592   71.54990   2.441129 -1.213356 3.147325 
1 1 1  -19    3   22 o 150.5680 1.813703  257.9884 4.057804   251.0000 6.500000   269.6000 10.80000   147.9561 1.918316   153.1799   3.078659 -5.223785 3.627407 
1 1 1  -19    3   23 o 73.10031 1.867811  59.33793 1.965517   54.20000 3.000000   69.10000 5.700000   68.73238 1.905898   77.46823   3.212853 -8.735847 3.735622 
1 1 1  -19    3   24 o 131.2324 1.900932  199.1544 3.807595   202.8000 6.400000   193.8000 9.400000   132.8599 2.103419   129.6049   3.166985 3.254913 3.801863 
1 1 1  -19    3   25 o 74.32848 1.543380  63.64865 1.837838   64.20000 3.400000   63.00000 4.000000   74.71282 1.987117   73.94415   2.362087 0.7686768 3.086761 
1 1 1  -19    3   26 o 21.28747 5.006874  5.600000 2.400000   5.600000 2.400000          ?        ?   21.28747 5.006874          ?          ?       ?       ? 
1 1 1  -19    3   27 o 34.21778 3.062663  13.70000 2.400000   13.70000 2.400000          ?        ?   34.21778 3.062663          ?          ?       ?       ? 
1 1 1  -19    3   28 o 49.78925 2.192523  28.90000 2.500000   28.90000 2.500000          ?        ?   49.78925 2.192523          ?          ?       ?       ? 
1 1 1  -19    3   29 o 15.76029 4.537475  2.169231 1.765385   3.000000 2.700000  0.6000000 5.100000   15.73624 5.750680   15.78435   7.020284 -0.4811001E-01 9.074950 
1 1 1  -19    3   30 o 19.26578 4.643953  5.363158 1.768421   6.100000 2.800000   4.100000 4.800000   20.72550 5.714581   17.80606   7.321800 2.919439 9.287906 
1 1 1  -19    5    1 o 745.2801 12.01086  0.000000 0.000000          ?        ?   6395.100 205.0000          ?        ?   745.2801   12.01086       ?       ? 
1 1 1  -19    5    2 o 359.3399 3.076148  1479.509 17.89986   1476.400 35.90000   1482.600 35.70000   358.9626 4.367018   359.7172   4.333579 -0.7546692 6.152297 
1 1 1  -19    5    3 o 277.0673 2.396777  879.3096 10.74163   880.8000 22.10000   877.9000 20.90000   277.2930 3.480111   276.8417   3.296511 0.4513245 4.793554 
1 1 1  -19    5    4 o 346.3634 2.888380  1374.393 16.19861   1341.500 32.10000   1407.900 32.70000   342.1797 4.096287   350.5470   4.073251 -8.367279 5.776759 
1 1 1  -19    5    5 o 297.3154 2.580974  1012.754 12.42374   1018.100 24.60000   1007.300 25.10000   298.1099 3.603283   296.5208   3.696223 1.589081 5.161949 
1 1 1  -19    5    6 o 541.5039 6.112337  0.000000 0.000000          ?        ?   3362.100 75.80000          ?        ?   541.5039   6.112337       ?       ? 
1 1 1  -19    5    7 o 444.5349 3.640358  2265.035 26.19532   2247.200 53.10000   2282.400 51.70000   442.8008 5.236316   446.2689   5.058639 -3.468048 7.280716 
1 1 1  -19    5    8 o 326.2863 2.843612  1219.694 15.02496   1223.500 30.10000   1215.900 30.00000   326.7945 4.021902   325.7780   4.021048 1.016479 5.687224 
1 1 1  -19    5    9 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -19    5   10 o 566.7097 5.669887  3693.073 49.87322   3726.600 85.70000   3646.400 119.3000   570.0179 6.564958   563.4014   9.246178 6.616577 11.33977 
1 1 1  -19    5   11 o 207.4641 1.934797  493.0000 6.500000   489.1000 13.00000   496.9000 13.00000   206.6432 2.747020   208.2849   2.725368 -1.641693 3.869594 
1 1 1  -19    5   12 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -19    5   13 o 306.6685 2.703379  1077.708 13.42495   1073.200 26.90000   1082.200 26.80000   306.0273 3.838238   307.3096   3.808012 -1.282318 5.406757 
1 1 1  -19    5   14 o 228.4986 2.710491  598.6208 9.573670   599.9000 16.30000   596.8000 23.20000   228.8267 3.110432   228.1705   4.439848 0.6561279 5.420981 
1 1 1  -19    5   15 o 327.9643 3.024635  1233.169 16.01947   1230.300 30.70000   1236.300 33.50000   327.5841 4.092185   328.3445   4.455073 -0.7603760 6.049269 
1 1 1  -19    5   16 o 128.6720 1.451141  188.9612 3.008265   177.9000 5.600000   201.8000 6.500000   124.6207 1.962175   132.7233   2.138484 -8.102631 2.902282 
1 1 1  -19    5   17 o 406.4021 3.493980  1892.889 22.96076   1811.400 44.10000   1981.400 47.90000   397.3069 4.846768   415.4974   5.033927 -18.19052 6.987960 
1 1 1  -19    5   18 o 136.8121 1.739006  213.4325 3.808442   202.5000 6.900000   226.9000 8.500000   132.9314 2.266529   140.6929   2.638071 -7.761475 3.478013 
1 1 1  -19    5   19 f 199.6105 2.612985  446.9264 7.418845   422.3000 11.30000   494.0000 21.60000   191.9215 2.570956   207.2995   4.549830 -15.37804 5.225970 
1 1 1  -19    5   20 o 140.5118 2.227631  226.3269 4.620305   225.2000 7.400000   228.2000 12.30000   140.1362 2.305798   140.8874   3.812173 -0.7512817 4.455263 
1 1 1  -19    5   21 f 59.69947 3.164886  40.02203 2.576271   37.80000 3.800000   44.70000 8.000000   57.34998 2.893277   62.04897   5.629828 -4.698982 6.329772 
1 1 1  -19    5   22 o 82.10637 2.720634  78.77037 2.965926   80.40000 4.400000   75.40000 9.100000   83.65993 2.296545   80.55281   4.932878 3.107117 5.441269 
1 1 1  -19    5   23 o 23.49253 4.691339  6.682051 1.794872   7.400000 2.800000   5.400000 5.000000   24.70757 5.116819   22.27748   7.864655 2.430082 9.382677 
1 1 1  -19    5   24 o 23.76453 6.196396  5.234400 2.563200   2.700000 3.600000   11.50000 8.900000   17.27337 6.573925   30.25569   10.50547 -12.98232 12.39279 
1 1 1  -19    5   25 o 47.82187 3.013194  26.60000 3.300000   26.60000 3.300000          ?        ?   47.82187 3.013194          ?          ?       ?       ? 
1 1 1  -19    5   26 o 11.11187 5.011623 -1.100000 2.700000  -1.100000 2.700000          ?        ?   11.11187 5.011623          ?          ?       ?       ? 
1 1 1  -19    5   27 o 17.59145 5.550906  4.000000 2.500000   4.000000 2.500000          ?        ?   17.59145 5.550906          ?          ?       ?       ? 
1 1 1  -19    5   28 o 17.12119 5.993856  3.800000 2.900000   3.800000 2.900000          ?        ?   17.12119 5.993856          ?          ?       ?       ? 
1 1 1  -19    5   29 o 18.68701 5.619181  4.900000 2.600000   4.900000 2.600000          ?        ?   18.68701 5.619181          ?          ?       ?       ? 
1 1 1  -19    7    1 o 177.3861 1.853889  360.4662 5.324883   353.3000 10.60000   367.7000 10.70000   175.6141 2.635641   179.1581   2.607877 -3.543976 3.707779 
1 1 1  -19    7    2 o 161.1960 1.704445  297.3539 4.444944   286.0000 8.600000   309.5000 9.200000   158.0149 2.376513   164.3771   2.443916 -6.362213 3.408891 
1 1 1  -19    7    3 f 218.7583 2.067773  548.1741 7.324232   536.0000 14.50000   560.6000 14.80000   216.3042 2.927135   221.2124   2.921407 -4.908203 4.135546 
1 1 1  -19    7    4 o 263.9796 2.432538  797.2813 10.37596   768.2000 19.80000   829.3000 21.80000   258.9344 3.338990   269.0247   3.538376 -10.09033 4.865075 
1 1 1  -19    7    5 o 291.3511 2.761842  972.8057 13.01420   973.0000 25.30000   972.6000 26.80000   291.3880 3.791303   291.3141   4.017103 0.7385254E-01 5.523685 
1 1 1  -19    7    6 o 149.3648 1.982058  256.2253 4.686316   250.2000 10.60000   261.0000 8.400000   147.7789 3.132082   150.9507   2.429874 -3.171829 3.964117 
1 1 1  -19    7    7 o 414.1259 4.396635  1959.077 27.62219   2010.800 70.30000   1925.600 45.50000   418.4364 7.336107   409.8153   4.848003 8.621033 8.793270 
1 1 1  -19    7    8 f 254.5416 2.958548  739.8600 11.52000   756.9000 28.80000   728.5000 19.20000   256.9294 4.894613   252.1539   3.324875 4.775543 5.917097 
1 1 1  -19    7    9 o 41.67190 2.126087  19.95263 1.414035   19.30000 3.100000   20.50000 2.600000   41.04121 3.298232   42.30258   2.683775 -1.261372 4.252174 
1 1 1  -19    7   10 o 145.0475 2.184319  236.4150 4.550000   224.9000 7.000000   257.8000 13.00000   140.1226 2.181371   149.9724   3.785051 -9.849823 4.368638 
1 1 1  -19    7   11 o 322.5729 2.880946  1191.512 15.01744   1234.000 31.50000   1152.800 28.70000   328.0489 4.192872   317.0969   3.952116 10.95206 5.761892 
1 1 1  -19    7   12 o 104.8257 1.443958  125.6857 2.440816   129.4000 5.200000   122.4000 4.600000   106.2810 2.136424   103.3703   1.943129 2.910675 2.887915 
1 1 1  -19    7   13 o 272.0920 2.637955  848.0733 11.60946   819.7000 22.40000   878.6000 24.10000   267.3795 3.658135   276.8047   3.801748 -9.425201 5.275911 
1 1 1  -19    7   14 o 170.6452 1.899749  333.5624 5.248095   343.6000 10.70000   323.9000 10.30000   173.1634 2.698158   168.1271   2.675095 5.036316 3.799499 
1 1 1  -19    7   15 o 141.5446 1.756505  229.6776 4.024845   234.1000 8.000000   225.2000 8.100000   142.9182 2.444230   140.1710   2.523287 2.747253 3.513010 
1 1 1  -19    7   16 o 75.29915 1.613205  65.20513 1.929487   67.00000 3.500000   63.00000 4.300000   76.46596 1.998663   74.13233   2.532798 2.333626 3.226410 
1 1 1  -19    7   17 o 156.1196 1.779863  279.4200 4.497778   285.4000 9.200000   273.7000 8.800000   157.7504 2.546578   154.4887   2.487286 3.261749 3.559726 
1 1 1  -19    7   18 o 99.17726 1.495343  112.7750 2.395833   112.2000 4.600000   113.4000 5.000000   98.91929 2.030563   99.43523   2.195682 -0.5159454 2.990687 
1 1 1  -19    7   19 o 45.99829 1.981154  24.14237 1.454237   22.60000 2.600000   26.10000 3.300000   44.35734 2.559455   47.63925   3.024745 -3.281914 3.962309 
1 1 1  -19    7   20 o 10.27989 3.438903 -3.526230 1.514754  -2.700000 2.800000  -4.500000 3.300000   10.25853 4.796377   10.30125   4.929401 -0.4271507E-01 6.877807 
1 1 1  -19    7   21 o 87.77069 1.547391  88.40909 2.195454   95.10000 4.600000   82.30000 4.200000   90.93784 2.208782   84.60353   2.167706 6.334312 3.094781 
1 1 1  -19    7   22 f 50.37870 2.143092  29.65652 1.715942   26.60000 3.700000   32.30000 3.200000   47.86899 3.375104   52.88842   2.641978 -5.019424 4.286184 
1 1 1  -19    7   23 o 80.26931 1.637210  74.37647 2.117647   74.00000 4.000000   74.80000 4.500000   80.09133 2.180792   80.44729   2.442535 -0.3559570 3.274420 
1 1 1  -19    7   24 o 15.84646 4.562235  1.329870 1.922078   3.300000 3.700000 -0.8000000 4.000000   17.74578 6.685808   13.94714   6.209341 3.798647 9.124470 
1 1 1  -19    7   25 o 50.85608 1.957404  30.42031 1.585938   29.60000 3.500000   31.10000 2.900000   50.09592 3.050741   51.61623   2.453304 -1.520309 3.914808 
1 1 1  -19    7   26 o 55.46935 2.270782  36.72099 1.987654   37.80000 4.600000   35.90000 3.500000   55.87790 3.594657   55.06080   2.775653 0.8171043 4.541565 
1 1 1  -19    7   27 o 20.92095 4.917627  6.266666 1.917949   5.700000 3.400000   7.000000 4.400000   20.11023 6.487068   21.73166   7.392576 -1.621429 9.835255 
1 1 1  -19    9    1 o 81.12736 1.809737  75.48631 2.372632   74.30000 4.900000   76.60000 4.600000   80.50562 2.657722   81.74909   2.457053 -1.243469 3.619475 
1 1 1  -19    9    2 o 76.68667 1.675659  67.34940 2.060241   66.80000 3.800000   68.00000 4.500000   76.35067 2.173254   77.02267   2.551136 -0.6719971 3.351318 
1 1 1  -19    9    3 o 42.08965 2.495342  20.17941 1.676471   18.90000 3.000000   21.80000 3.800000   40.59478 3.226939   43.58451   3.807072 -2.989735 4.990685 
1 1 1  -19    9    4 o 53.21272 2.242225  31.93636 1.851948   29.40000 3.100000   35.70000 4.600000   50.64352 2.672868   55.78191   3.600843 -5.138386 4.484450 
1 1 1  -19    9    5 f 119.6905 1.793065  164.2094 3.474820   162.9000 7.000000   165.5000 6.900000   119.2154 2.563925   120.1656   2.507313 -0.9501801 3.586130 
1 1 1  -19    9    6 o 88.22219 1.578351  89.28889 2.245556   87.20000 4.700000   91.20000 4.300000   87.22937 2.352745   89.21501   2.104603 -1.985641 3.156701 
1 1 1  -19    9    7 o 130.5679 1.718042  195.5593 3.616552   192.1000 7.600000   198.7000 6.900000   129.4586 2.563435   131.6772   2.288117 -2.218521 3.436085 
1 1 1  -19    9    8 o 61.31086 2.064767  43.10000 2.050000   43.10000 4.100000   43.10000 4.100000   61.31086 2.920022   61.31086   2.920022 0.000000 4.129535 
1 1 1  -19    9    9 o 40.90067 2.730291  19.44225 1.757746   21.20000 3.200000   17.30000 3.900000   42.99178 3.250157   38.80957   4.387989 4.182213 5.460583 
1 1 1  -19    9   10 o 83.29396 1.778806  79.40417 2.395833   74.90000 4.600000   84.30000 5.000000   80.83387 2.484873   85.75406   2.545980 -4.920189 3.557612 
1 1 1  -19    9   11 o 84.72652 1.803426  81.90000 2.454545   76.90000 4.500000   87.90000 5.400000   81.90212 2.399148   87.55091   2.693226 -5.648788 3.606852 
1 1 1  -19    9   12 o 45.20519 2.023127  23.37288 1.454237   22.80000 2.600000   24.10000 3.300000   44.58775 2.546229   45.82263   3.144659 -1.234882 4.046253 
1 1 1  -19    9   13 o 50.77330 1.951393  29.42500 1.575000   31.00000 3.600000   28.20000 2.800000   51.96359 3.025123   49.58300   2.465840 2.380589 3.902786 
1 1 1  -19    9   14 o 60.01221 1.831636  41.25634 1.757746   40.40000 3.200000   42.30000 3.900000   59.33599 2.354895   60.68843   2.806070 -1.352440 3.663271 
1 1 1  -19    9   15 o 20.35266 4.510705  4.501449 1.707246   2.300000 3.100000   7.200000 3.800000   16.28193 6.122591   24.42339   6.625686 -8.141455 9.021410 
1 1 1  -19    9   16 o 18.89496 4.010563  4.027273 1.363636   6.100000 3.000000   2.300000 2.500000   22.44552 5.795986   15.34440   5.544820 7.101124 8.021127 
1 1 1  -19    9   17 o 70.23143 1.854246  56.83214 2.089286   57.90000 3.900000   55.60000 4.500000   70.96976 2.399557   69.49310   2.827552 1.476654 3.708493 
1 1 1  -19    9   18 o 79.67346 1.724541  72.98315 2.222472   68.20000 4.300000   78.10000 4.600000   76.97459 2.439275   82.37234   2.438462 -5.397758 3.449081 
1 1 1  -19    9   19 o 24.80512 3.281889  7.456863 1.274510   9.700000 2.600000   5.300000 2.500000   28.83541 3.937195   20.77482   5.251827 8.060587 6.563779 
1 1 1  -19    9   20 o 11.82489 3.719841 -1.252459 1.455738  0.4000000 2.400000  -3.800000 3.700000   12.17816 5.106561   11.47161   5.410351 0.7065535 7.439682 
1 1 1  -19    9   21 o 54.12247 1.998217  33.52174 1.620290   31.60000 2.600000   36.70000 4.300000   52.27853 2.171649   55.96640   3.354909 -3.687870 3.996433 
1 1 1  -19    9   22 f 30.51667 3.547902  10.58571 1.607143   7.300000 2.500000   16.50000 4.500000   24.28237 4.665142   36.75097   5.346671 -12.46860 7.095804 
1 1 1  -19    9   23 o 41.90296 2.653090  21.34085 1.766197   19.20000 3.800000   23.20000 3.300000   39.66737 4.183019   44.13855   3.264642 -4.471176 5.306179 
1 1 1  -19    9   24 o 16.71924 4.672292  2.968421 1.894737   4.600000 4.000000   1.500000 3.600000   18.66846 6.967545   14.77002   6.226924 3.898437 9.344584 
1 1 1  -19    9   25 o 20.96056 4.484136  6.067606 1.766197   3.000000 3.300000   9.600000 3.800000   16.03840 6.244017   25.88272   6.437559 -9.844316 8.968272 
1 1 1  -19   11    1 o 42.31435 2.793185  20.37895 1.867105   14.30000 3.300000   28.30000 4.300000   35.14667 4.099864   49.48202   3.794554 -14.33535 5.586370 
1 1 1  -19   11    2 o 35.56647 3.389338  14.81039 1.924675   17.90000 3.900000   11.80000 3.800000   39.30447 4.332737   31.82848   5.213237 7.475994 6.778676 
1 1 1  -19   11    3 o 114.4354 1.699548  150.3325 3.146825   143.7000 6.100000   157.4000 6.500000   111.8343 2.381742   117.0366   2.425110 -5.202347 3.399096 
1 1 1  -19   11    4 o 28.62296 4.628404  9.925000 2.041667   9.800000 3.500000   10.10000 4.900000   28.53339 5.556004   28.71252   7.404006 -0.1791344 9.256807 
1 1 1  -19   11    5 o 101.1699 1.857737  118.0273 3.008265   122.1000 5.600000   113.3000 6.500000   103.0981 2.371796   99.24166   2.859954 3.856392 3.715475 
1 1 1  -19   11    6 o 36.77450 3.064715  15.92817 1.746479   17.50000 3.100000   13.90000 4.000000   38.95917 3.474495   34.58982   5.049534 4.369343 6.129430 
1 1 1  -19   11    7 o 93.42043 1.653182  100.2270 2.499000   106.5000 5.100000   94.20000 4.900000   96.28899 2.312774   90.55186   2.362862 5.737122 3.306364 
1 1 1  -19   11    8 o 54.57371 2.012620  34.32676 1.774648   32.40000 3.600000   36.20000 3.500000   53.04965 2.963191   56.09777   2.724345 -3.048126 4.025240 
1 1 1  -19   11    9 o 59.49304 1.976211  40.79342 1.898684   42.40000 3.700000   39.10000 3.900000   60.71196 2.661136   58.27411   2.922326 2.437851 3.952421 
1 1 1  -19   11   10 o 46.94444 2.302476  25.00286 1.698571   22.60000 2.900000   28.40000 4.100000   44.30445 2.858186   49.58443   3.610590 -5.279984 4.604952 
1 1 1  -19   11   11 o 29.60876 3.792177  10.87681 1.724638   5.900000 3.400000   16.00000 3.500000   22.08479 6.370471   37.13274   4.115767 -15.04795 7.584354 
1 1 1  -19   11   12 o 49.58872 2.104393  28.30149 1.665672   36.20000 3.600000   21.50000 3.100000   56.03246 2.805450   43.14499   3.137408 12.88747 4.208786 
1 1 1  -19   11   13 o 55.66361 2.050782  35.20270 1.801351   31.60000 3.100000   40.20000 4.300000   52.36388 2.585054   58.96335   3.184388 -6.599476 4.101565 
1 1 1  -19   11   14 o 15.81281 4.539669 0.9202703 1.763514  -1.000000 2.900000   3.900000 4.500000   11.82694 5.274632   19.79868   7.390035 -7.971740 9.079337 
1 1 1  -19   11   15 o 68.63003 2.043021  54.35556 2.195555   53.30000 3.800000   55.80000 5.200000   67.95285 2.441831   69.30721   3.276157 -1.354355 4.086042 
1 1 1  -19   11   16 o 14.47412 4.093743  1.078689 1.524590 -0.7000000 3.100000   2.800000 3.000000   12.45441 5.509366   16.49382   6.056551 -4.039410 8.187486 
1 1 1  -19   11   17 o 24.57535 3.672845  7.482759 1.448276   5.600000 2.800000   9.500000 3.000000   21.01157 5.682171   28.13913   4.655329 -7.127560 7.345689 
1 1 1  -19   11   18 o 62.93861 2.122687  46.87529 2.122353   38.80000 4.400000   54.40000 4.100000   57.48309 3.342353   68.39413   2.617609 -10.91104 4.245374 
1 1 1  -19   11   19 o 28.63999 4.129164  10.80000 1.850000   11.60000 3.700000   10.00000 3.700000   29.86250 5.616373   27.41748   6.054449 2.445024 8.258328 
1 1 1  -19   11   20 o 13.98753 4.230320 0.8367647 1.686765  0.7000000 3.100000   1.000000 3.700000   13.38261 5.715373   14.59244   6.238347 -1.209834 8.460641 
1 1 1  -19   11   21 o 16.83157 3.957235  3.222951 1.475410 -0.2000000 3.600000   5.600000 2.500000   13.20063 5.882828   20.46251   5.294446 -7.261877 7.914469 
1 1 1  -19   11   22 o 27.14503 4.098812  10.25000 1.750000   11.70000 3.500000   8.800000 3.500000   29.45033 5.387959   24.83973   6.178263 4.610596 8.197624 
1 1 1  -19   13    1 o 34.56934 2.724066  14.14590 1.524590   13.90000 3.000000   14.40000 3.100000   34.27281 3.822181   34.86587   3.882405 -0.5930634 5.448132 
1 1 1  -19   13    2 o 26.18118 4.315194  8.851949 1.924675   12.80000 3.800000   4.800000 3.900000   32.44656 5.113928   19.91581   6.952075 12.53075 8.630388 
1 1 1  -19   13    3 o 19.00372 4.589137  3.491781 1.726027  0.5000000 2.800000   8.300000 4.500000   12.97946 5.482885   25.02797   7.360616 -12.04851 9.178273 
1 1 1  -19   13    4 o 39.26596 3.073722  18.39744 1.948718   20.50000 4.000000   16.40000 3.800000   41.50361 4.208369   37.02832   4.481149 4.475292 6.147444 
1 1 1  -19   13    5 f 18.39999 4.790274  3.620000 1.800000   2.900000 3.000000   4.700000 4.500000   16.52361 6.058205   20.27637   7.421930 -3.752766 9.580548 
1 1 1  -19   13    6 o 37.47189 3.091225  16.75333 1.874667   17.00000 3.700000   16.50000 3.800000   37.78405 4.275954   37.15974   4.465300 0.6243095 6.182450 
1 1 1  -19   13    7 o 20.04413 4.650132  4.847222 1.798611   3.000000 3.500000   6.800000 3.700000   17.17773 6.495293   22.91054   6.656282 -5.732805 9.300264 
1 1 1  -19   13    8 o 32.88452 3.262237  13.01015 1.707246   13.10000 3.100000   12.90000 3.800000   33.18167 4.079464   32.58737   5.091831 0.5942993 6.524475 
1 1 1  -19   13    9 o 21.16955 5.029780  5.551219 2.039024   4.300000 3.800000   7.000000 4.400000   19.17324 6.846841   23.16586   7.369906 -3.992611 10.05956 
1 1 1  -19   13   10 o 17.42216 4.526134  2.902857 1.737143  0.8000000 3.200000   5.400000 3.800000   14.06621 5.897317   20.77810   6.867693 -6.711884 9.052268 
1 1 1  -19   13   11 o 18.25938 3.844920  3.838889 1.342593   1.200000 2.500000   6.900000 2.900000   13.26413 5.346799   23.25463   5.526789 -9.990500 7.689841 
1 1 1  -19   13   12 o 16.55615 4.649590  2.210526 1.867105  0.3000000 3.300000   4.700000 4.300000   13.49461 5.831688   19.61769   7.243352 -6.123086 9.299179 
1 1 1  -19   13   13 o 18.53321 4.870530  4.223077 1.938461   3.900000 3.600000   4.600000 4.200000   17.91280 6.624869   19.15363   7.141384 -1.240826 9.741060 
1 1 1  -19   13   14 o 13.60443 4.138662 -0.2800000 1.748571   2.600000 3.600000  -3.000000 3.400000   16.25548 6.462409   10.95337   5.172174 5.302112 8.277325 
1 1 1  -19   13   15 o 25.17315 4.067807  8.616923 1.578462   8.700000 2.700000   8.500000 3.800000   25.95997 4.715172   24.38632   6.629885 1.573654 8.135614 
1 1 1  -19   13   16 o 14.24251 4.293173 0.7499999 1.800000   2.600000 3.600000  -1.100000 3.600000   15.99686 6.427482   12.48816   5.693225 3.508696 8.586346 
1 1 1  -19   13   17 o 13.05737 4.063722 -1.000000 1.798611  -4.500000 3.500000   2.700000 3.700000   10.11213 4.898078   16.00262   6.485690 -5.890486 8.127443 
1 1 1  -19   13   18 o 23.91325 4.678217  8.633333 1.866667   8.900000 4.000000   8.400000 3.500000   23.98886 6.906857   23.83765   6.311750 0.1512127 9.356435 
1 1 1  -19   15    4 o 12.80334 4.207339 -1.316279 2.009302 -0.2000000 3.200000  -3.200000 5.400000   12.21941 5.488541   13.38727   6.378300 -1.167852 8.414678 
1 1 1  -19   15    5 o 22.10758 4.374882  7.275000 1.955000   2.100000 4.600000   11.10000 3.400000   15.82860 6.862692   28.38655   5.427876 -12.55796 8.749764 
1 1 1  -19   15    6 o 18.97335 4.967837  5.322222 2.000000   4.300000 3.600000   6.600000 4.500000   17.53032 6.596751   20.41639   7.429703 -2.886074 9.935674 
1 1 1  -19   15    7 o 12.35915 3.995652 -0.8291667 1.798611 -0.1000000 3.500000  -1.600000 3.700000   12.75857 5.734620   11.95972   5.565526 0.7988434 7.991304 
1 1 1  -18    0    1 o 572.9920 6.540424  3764.800 85.80000   3764.800 85.80000   3764.800 85.80000   572.9920 6.540424   572.9920   6.540424 0.000000 0.000000 
1 1 1  -18    0    2 o 295.4831 3.518217  1000.500 23.80000   1000.500 23.80000   1000.500 23.80000   295.4831 3.518217   295.4831   3.518217 -0.000000 0.000000 
1 1 1  -18    0    3 o 35.30667 0.8669078  14.30000 0.7000000   14.30000 0.7000000   14.30000 0.7000000   35.30667 0.8669078   35.30667  0.8669078 -0.000000 0.000000 
1 1 1  -18    0    4 o 26.55819 0.8238696  8.100000 0.5000000   8.100000 0.5000000   8.100000 0.5000000   26.55819 0.8238696   26.55819  0.8238696 -0.000000 0.000000 
1 1 1  -18    0    5 o 159.8607 2.049369  292.8000 7.500000   292.8000 7.500000   292.8000 7.500000   159.8607 2.049369   159.8607   2.049369 0.000000 0.000000 
1 1 1  -18    0    6 o 161.6492 2.134834  299.4000 7.900000   299.4000 7.900000   299.4000 7.900000   161.6492 2.134834   161.6492   2.134834 0.000000 0.000000 
1 1 1  -18    0    7 o 343.2702 5.982725  1351.700 47.00000   1351.700 47.00000   1351.700 47.00000   343.2702 5.982725   343.2702   5.982725 -0.000000 0.000000 
1 1 1  -18    0    8 o 153.8991 2.157295  271.4000 7.600000   271.4000 7.600000   271.4000 7.600000   153.8991 2.157295   153.8991   2.157295 0.000000 0.000000 
1 1 1  -18    0    9 o 304.9864 3.895721  1066.000 27.20000   1066.000 27.20000   1066.000 27.20000   304.9864 3.895721   304.9864   3.895721 -0.000000 0.000000 
1 1 1  -18    0   10 o 660.4021 7.725169  5002.600 116.8000   5002.600 116.8000   5002.600 116.8000   660.4021 7.725169   660.4021   7.725169 0.000000 0.000000 
1 1 1  -18    0   11 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -18    0   12 o 218.0045 2.865360  544.6000 14.30000   544.6000 14.30000   544.6000 14.30000   218.0045 2.865360   218.0045   2.865360 -0.000000 0.000000 
1 1 1  -18    0   13 o 252.1617 3.256729  728.6000 18.80000   728.6000 18.80000   728.6000 18.80000   252.1617 3.256729   252.1617   3.256729 -0.000000 0.000000 
1 1 1  -18    0   14 o 511.1176 5.939307  2994.600 69.50000   2994.600 69.50000   2994.600 69.50000   511.1176 5.939307   511.1176   5.939307 -0.000000 0.000000 
1 1 1  -18    0   15 o 144.8964 2.231238  240.6000 7.400000   240.6000 7.400000   240.6000 7.400000   144.8964 2.231238   144.8964   2.231238 0.000000 0.000000 
1 1 1  -18    0   16 o 350.5904 4.460475  1408.700 35.80000   1408.700 35.80000   1408.700 35.80000   350.5904 4.460475   350.5904   4.460475 0.000000 0.000000 
1 1 1  -18    0   17 o 329.0092 3.863310  1240.500 29.10000   1240.500 29.10000   1240.500 29.10000   329.0092 3.863310   329.0092   3.863310 0.000000 0.000000 
1 1 1  -18    0   18 o 415.5747 4.961032  1980.000 47.20000   1980.000 47.20000   1980.000 47.20000   415.5747 4.961032   415.5747   4.961032 -0.000000 0.000000 
1 1 1  -18    0   19 o 287.6532 3.735688  948.6000 24.60000   948.6000 24.60000   948.6000 24.60000   287.6532 3.735688   287.6532   3.735688 0.000000 0.000000 
1 1 1  -18    0   20 o 70.50789 2.172222  57.10000 3.500000   57.10000 3.500000   57.10000 3.500000   70.50789 2.172222   70.50789   2.172222 0.000000 0.000000 
1 1 1  -18    0   21 f 35.97240 4.428580  15.50000 3.500000   15.50000 3.500000   15.50000 3.500000   35.97240 4.428580   35.97240   4.428580 -0.000000 0.000000 
1 1 1  -18    0   22 o 21.36766 6.742567  6.600000 2.900000   6.600000 2.900000   6.600000 2.900000   21.36766 6.742567   21.36766   6.742567 0.000000 0.000000 
1 1 1  -18    0   23 o 95.00069 2.532058  103.7000 5.500000   103.7000 5.500000   103.7000 5.500000   95.00069 2.532058   95.00069   2.532058 -0.000000 0.000000 
1 1 1  -18    0   24 o 29.77479 4.573825  10.90000 2.900000   10.90000 2.900000   10.90000 2.900000   29.77479 4.573825   29.77479   4.573825 0.000000 0.000000 
1 1 1  -18    0   25 o 81.19248 2.479130  75.90000 4.600000   75.90000 4.600000   75.90000 4.600000   81.19248 2.479130   81.19248   2.479130 0.000000 0.000000 
1 1 1  -18    0   26 o 41.95886 3.055190  20.60000 2.900000   20.60000 2.900000   20.60000 2.900000   41.95886 3.055190   41.95886   3.055190 0.000000 0.000000 
1 1 1  -18    0   27 o 112.2251 2.610089  145.4000 6.700000   145.4000 6.700000   145.4000 6.700000   112.2251 2.610089   112.2251   2.610089 0.000000 0.000000 
1 1 1  -18    0   28 o 51.57154 2.726852  31.00000 3.200000   31.00000 3.200000   31.00000 3.200000   51.57154 2.726852   51.57154   2.726852 -0.000000 0.000000 
1 1 1  -18    0   29 o 6.165581 4.449160 -5.500000 3.200000  -5.500000 3.200000  -5.500000 3.200000   6.165581 4.449160   6.165581   4.449160 0.000000 0.000000 
1 1 1  -18    0   30 o 20.59465 6.707041  6.600000 2.800000   6.600000 2.800000   6.600000 2.800000   20.59465 6.707041   20.59465   6.707041 0.000000 0.000000 
1 1 1  -18    2    1 o 509.9883 4.717466  2986.904 35.22991   2995.200 56.10000   2972.900 94.70000   511.1838 4.792095   508.7928   8.127346 2.391083 9.434932 
1 1 1  -18    2    2 o 410.5684 3.377323  1932.379 22.44599   1945.600 44.30000   1918.800 45.50000   411.9992 4.695124   409.1376   4.856034 2.861572 6.754647 
1 1 1  -18    2    3 o 318.3404 2.740191  1159.659 14.08779   1124.700 26.80000   1198.400 29.70000   313.2977 3.735230   323.3832   4.010317 -10.08551 5.480382 
1 1 1  -18    2    4 o 234.1566 2.036976  627.6116 7.718447   603.0000 15.00000   653.7000 15.90000   229.4321 2.854807   238.8810   2.906399 -9.448837 4.073951 
1 1 1  -18    2    5 o 302.8169 2.523840  1050.518 12.36889   1058.900 25.30000   1042.500 24.20000   303.9950 3.634074   301.6389   3.503223 2.356110 5.047679 
1 1 1  -18    2    6 o 336.2482 2.777798  1295.663 15.12463   1298.300 30.10000   1293.000 30.40000   336.5936 3.904814   335.9028   3.951844 0.6908264 5.555595 
1 1 1  -18    2    7 o 281.8970 2.420551  910.3073 11.04796   896.3000 21.80000   924.7000 22.40000   279.6996 3.403333   284.0944   3.442905 -4.394836 4.841102 
1 1 1  -18    2    8 o 268.5596 2.335101  825.8744 10.13005   816.7000 19.40000   835.9000 21.20000   267.0045 3.172655   270.1147   3.427104 -3.110199 4.670201 
1 1 1  -18    2    9 o 207.6968 1.902631  493.6152 6.390234   510.5000 13.30000   478.0000 12.30000   211.1105 2.750942   204.2831   2.629133 6.827499 3.805262 
1 1 1  -18    2   10 o 390.7174 3.430480  1749.594 21.68606   1743.600 42.30000   1755.900 44.50000   390.0396 4.735560   391.3952   4.964600 -1.355530 6.860960 
1 1 1  -18    2   11 o 203.8418 1.946439  475.3008 6.408560   491.9000 13.50000   460.3000 12.20000   207.2225 2.844701   200.4610   2.657477 6.761475 3.892879 
1 1 1  -18    2   12 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -18    2   13 o 360.9104 3.096847  1492.450 18.09503   1517.000 36.80000   1468.700 35.60000   363.8273 4.416642   357.9935   4.342247 5.833832 6.193693 
1 1 1  -18    2   14 o 562.7614 4.655386  3631.815 42.42487   3640.500 84.70000   3623.100 85.00000   563.4379 6.564127   562.0849   6.603234 1.353027 9.310772 
1 1 1  -18    2   15 o 95.31886 1.297355  104.0525 1.995000   104.1000 3.800000   104.0000 4.200000   95.34236 1.740353   95.29537   1.924497 0.4698944E-01 2.594709 
1 1 1  -18    2   16 o 361.0910 3.710460  1496.791 19.41290   1501.800 30.60000   1488.100 53.10000   362.0362 3.690704   360.1458   6.438072 1.890350 7.420921 
1 1 1  -18    2   17 o 514.3597 4.733068  3065.869 36.71587   3174.500 61.10000   2902.300 92.00000   526.1558 5.070684   502.5637   7.993490 23.59216 9.466136 
1 1 1  -18    2   18 o 356.8448 3.456465  1475.835 18.50233   1529.800 30.60000   1393.300 46.80000   365.3249 3.657480   348.3647   5.866127 16.96017 6.912930 
1 1 1  -18    2   19 o 113.3020 1.817684  144.6891 2.899225   139.3000 4.400000   155.1000 8.500000   110.2795 1.742198   116.3245   3.190711 -6.044945 3.635367 
1 1 1  -18    2   20 o 167.2161 1.970018  318.8375 4.875000   313.7000 7.800000   327.4000 13.00000   165.4692 2.058340   168.9630   3.359631 -3.493744 3.940036 
1 1 1  -18    2   21 o 33.93626 2.537494  13.54630 1.342593   16.00000 2.500000   10.70000 2.900000   37.35151 2.922614   30.52101   4.148956 6.830507 5.074989 
1 1 1  -18    2   22 o 231.6158 2.471811  613.3200 8.292480   605.1000 13.00000   627.8000 22.90000   229.6815 2.471479   233.5500   4.281494 -3.868500 4.943622 
1 1 1  -18    2   23 o 78.36642 1.632871  71.20000 1.972839   74.60000 3.400000   66.50000 4.700000   80.65242 1.840777   76.08042   2.697520 4.571999 3.265742 
1 1 1  -18    2   24 o 64.77008 1.882897  48.67692 1.938461   52.60000 3.600000   44.10000 4.200000   67.65767 2.323406   61.88250   2.963611 5.775169 3.765794 
1 1 1  -18    2   25 o 120.5309 1.769184  167.7800 3.240000   169.7000 5.400000   164.9000 8.100000   121.5309 1.940201   119.5309   2.958998 2.000023 3.538368 
1 1 1  -18    2   26 o 60.00730 1.814842  41.81857 1.744286   44.60000 3.300000   38.70000 3.700000   62.18405 2.317259   57.83055   2.793728 4.353500 3.629684 
1 1 1  -18    2   27 o 15.74131 4.089895  1.700000 1.552941   4.100000 2.400000  -2.700000 4.400000   18.15132 5.385357   13.33131   6.156858 4.820012 8.179790 
1 1 1  -18    2   28 o 25.33104 4.435134  8.363013 1.673972   7.900000 2.600000   9.200000 4.700000   25.04691 4.705495   25.61518   7.519308 -0.5682697 8.870269 
1 1 1  -18    2   29 f 32.17288 4.139785  12.84268 1.737805   10.80000 2.500000   17.50000 5.700000   29.79449 3.663901   34.55127   7.424763 -4.756775 8.279570 
1 1 1  -18    2   30 o 25.11839 4.096772  8.896970 1.643939   10.40000 3.100000   7.200000 3.500000   28.01955 5.015182   22.21722   6.479362 5.802334 8.193544 
1 1 1  -18    4    1 o 308.8590 3.176570  1090.077 15.23567   1074.800 26.00000   1111.700 36.80000   306.2908 3.706628   311.4272   5.159778 -5.136353 6.353141 
1 1 1  -18    4    2 o 352.1129 3.561402  1424.581 19.47187   1440.200 33.50000   1402.900 46.50000   354.4960 4.126417   349.7297   5.805775 4.766357 7.122804 
1 1 1  -18    4    3 o 121.1165 1.251103  167.9449 2.440816   167.1000 4.600000   168.9000 5.200000   120.7932 1.662858   121.4398   1.869744 -0.6465759 2.502207 
1 1 1  -18    4    4 o 186.0625 1.792177  396.4417 5.398148   390.7000 10.60000   402.4000 11.00000   184.6906 2.506114   187.4344   2.562614 -2.743774 3.584354 
1 1 1  -18    4    5 o 313.0469 2.693063  1122.902 13.64707   1119.300 27.70000   1126.400 26.90000   312.5488 3.869917   313.5449   3.746210 -0.9960938 5.386126 
1 1 1  -18    4    6 o 70.57947 1.007598  57.10000 1.150000   53.60000 2.300000   60.60000 2.300000   68.41412 1.467986   72.74483   1.380592 -4.330711 2.015197 
1 1 1  -18    4    7 o 152.9293 1.545794  268.0176 3.823529   261.9000 7.800000   273.9000 7.500000   151.2153 2.252363   154.6432   2.117728 -3.427811 3.091588 
1 1 1  -18    4    8 o 371.2241 3.127937  1579.588 18.79521   1574.000 38.20000   1585.000 37.00000   370.5715 4.501229   371.8767   4.344526 -1.305267 6.255875 
1 1 1  -18    4    9 o 435.8339 3.655553  2177.188 25.79961   2161.300 51.40000   2193.200 51.80000   434.2375 5.168630   437.4302   5.170835 -3.192688 7.311106 
1 1 1  -18    4   10 o 93.02676 1.211141  98.94932 1.821918   93.10000 3.500000   105.3000 3.800000   90.16397 1.695020   95.88955   1.730422 -5.725578 2.422282 
1 1 1  -18    4   11 o 270.4410 2.420400  837.7967 10.59906   832.2000 21.00000   843.5000 21.40000   269.5298 3.402140   271.3522   3.443659 -1.822327 4.840800 
1 1 1  -18    4   12 o 82.29554 1.200415  77.48750 1.598437   74.00000 3.100000   81.20000 3.300000   80.38567 1.683925   84.20541   1.711251 -3.819748 2.400830 
1 1 1  -18    4   13 o 577.8615 9.415297  3836.100 124.6000   3836.100 124.6000          ?        ?   577.8615 9.415297          ?          ?       ?       ? 
1 1 1  -18    4   14 o 117.3572 1.433601  157.5064 2.719266   164.2000 5.700000   151.4000 5.200000   119.7375 2.078664   114.9769   1.974842 4.760612 2.867202 
1 1 1  -18    4   15 o 246.6321 2.247078  696.1663 8.959332   675.9000 17.20000   718.2000 18.70000   242.8931 3.092096   250.3711   3.261348 -7.478012 4.494157 
1 1 1  -18    4   16 o 322.5369 2.790648  1191.763 14.55952   1169.900 28.20000   1215.100 30.10000   319.4877 3.854204   325.5861   4.036829 -6.098419 5.581296 
1 1 1  -18    4   17 o 250.3205 2.251865  718.2526 9.121644   723.5000 17.90000   712.8000 18.60000   251.2581 3.110805   249.3830   3.256760 1.875031 4.503731 
1 1 1  -18    4   18 o 138.7622 1.617743  220.7800 3.611034   223.5000 6.800000   217.7000 7.700000   139.6790 2.125777   137.8454   2.439149 1.833603 3.235486 
1 1 1  -18    4   19 o 109.5269 1.624479  137.1270 2.848696   133.6000 5.200000   141.4000 6.300000   107.9803 2.102803   111.0735   2.476680 -3.093170 3.248957 
1 1 1  -18    4   20 o 66.60476 1.993341  50.84651 2.148837   53.20000 4.400000   48.60000 4.200000   68.11028 2.820848   65.09924   2.817170 3.011047 3.986682 
1 1 1  -18    4   21 o 110.7572 1.505161  140.1907 2.685185   133.2000 5.000000   148.3000 5.800000   107.7912 2.025473   113.7231   2.226993 -5.931946 3.010322 
1 1 1  -18    4   22 o 41.85250 2.158954  20.02069 1.406897   19.40000 2.400000   20.90000 3.400000   41.10012 2.549810   42.60487   3.484651 -1.504753 4.317908 
1 1 1  -18    4   23 o 42.66399 2.928638  20.52839 1.935802   18.00000 3.200000   24.40000 4.900000   39.48838 3.538510   45.83959   4.667616 -6.351208 5.857276 
1 1 1  -18    4   24 o 31.55388 3.225199  11.44091 1.625758   9.200000 2.900000   14.30000 3.700000   28.09524 4.507180   35.01252   4.614430 -6.917276 6.450398 
1 1 1  -18    4   25 o 55.58102 2.333892  36.81392 1.835443   39.20000 2.900000   32.70000 5.000000   58.32538 2.171102   52.83667   4.132133 5.488705 4.667783 
1 1 1  -18    4   26 o 37.34283 3.420940  17.48000 1.800000   19.60000 3.000000   14.30000 4.500000   40.95921 3.198227   33.72644   6.048361 7.232777 6.841881 
1 1 1  -18    4   27 o 27.30430 3.876139  9.840000 1.560000   11.60000 2.600000   7.200000 3.900000   31.28904 3.628447   23.31956   6.850707 7.969482 7.752278 
1 1 1  -18    4   28 o 36.51858 2.922354  15.10571 1.577143   11.30000 2.400000   22.40000 4.600000   30.69726 3.413904   42.33989   4.744034 -11.64263 5.844707 
1 1 1  -18    4   29 o 23.99708 4.294563  8.127778 1.631944   9.100000 2.500000   6.300000 4.700000   27.16461 4.018613   20.82954   7.591036 6.335073 8.589126 
1 1 1  -18    6    1 o 454.8498 3.668973  2371.191 27.01980   2342.100 53.30000   2401.100 54.80000   452.0244 5.148787   457.6751   5.228330 -5.650696 7.337946 
1 1 1  -18    6    2 o 541.2371 4.486891  3359.256 39.32232   3354.000 78.00000   3364.600 79.30000   540.8161 6.297740   541.6581   6.392749 -0.8419800 8.973783 
1 1 1  -18    6    3 o 427.0007 3.656348  2090.282 25.27082   2064.100 51.20000   2115.800 49.90000   424.3518 5.268460   429.6496   5.071377 -5.297821 7.312696 
1 1 1  -18    6    4 o 230.9131 2.693159  610.2438 9.459746   607.7000 15.70000   614.1000 23.80000   230.3331 2.976343   231.4932   4.489298 -1.160049 5.386317 
1 1 1  -18    6    5 o 275.8187 2.930543  872.6321 12.62321   877.8000 21.90000   865.6000 29.80000   276.8113 3.454617   274.8261   4.734759 1.985199 5.861085 
1 1 1  -18    6    6 o 193.4867 1.835418  428.7800 5.749565   442.7000 11.60000   415.1000 11.40000   196.6006 2.576397   190.3728   2.614807 6.227844 3.670836 
1 1 1  -18    6    7 o 122.1558 1.428084  170.8805 2.824779   173.1000 5.700000   168.7000 5.600000   122.9420 2.024483   121.3695   2.014735 1.572495 2.856167 
1 1 1  -18    6    8 o 458.5873 3.747029  2410.626 27.82318   2413.800 55.20000   2407.400 56.10000   458.8959 5.252482   458.2788   5.345309 0.6170959 7.494058 
1 1 1  -18    6    9 o 176.9550 1.765236  358.7961 5.037624   355.7000 10.60000   361.6000 9.600000   176.2249 2.626505   177.6852   2.359173 -1.460205 3.530471 
1 1 1  -18    6   10 o 240.8386 2.167202  664.0320 8.435503   675.8000 17.60000   653.2000 16.20000   242.8832 3.164134   238.7940   2.962316 4.089218 4.334404 
1 1 1  -18    6   11 o 301.7364 3.331507  1046.383 15.67601   1061.000 27.20000   1026.500 37.00000   304.2825 3.903298   299.1902   5.400003 5.092224 6.663015 
1 1 1  -18    6   12 o 383.5922 4.113018  1687.785 24.34483   1686.800 41.30000   1689.200 59.30000   383.5786 4.701488   383.6057   6.750086 -0.2713013E-01 8.226035 
1 1 1  -18    6   13 f 82.04468 1.853951  74.76666 2.133333   69.70000 3.200000   84.90000 6.400000   78.01118 1.791154   86.07816   3.246584 -8.066978 3.707903 
1 1 1  -18    6   14 o 127.6099 2.060446  184.4736 3.611043   180.2000 5.400000   193.1000 10.90000   125.4297 1.879892   129.7900   3.667118 -4.360268 4.120892 
1 1 1  -18    6   15 o 207.3801 2.801882  484.5022 8.465218   460.9000 13.20000   526.7000 23.60000   200.5422 2.874139   214.2180   4.810561 -13.67580 5.603764 
1 1 1  -18    6   16 o 72.46080 1.561840  60.12603 1.808219   59.90000 3.300000   60.40000 4.000000   72.31327 1.992671   72.60832   2.405544 -0.2950516 3.123680 
1 1 1  -18    6   17 o 179.4278 1.867073  368.9968 5.423963   365.2000 10.70000   372.9000 11.00000   178.4935 2.617587   180.3621   2.663098 -1.868576 3.734146 
1 1 1  -18    6   18 o 33.82109 4.719551  14.19684 2.088421   15.60000 3.100000   11.30000 6.400000   36.86213 3.672154   30.78005   8.695511 6.082083 9.439101 
1 1 1  -18    6   19 o 98.34940 1.524880  110.9155 2.418557   111.2000 4.600000   110.6000 5.100000   98.48908 2.039433   98.20972   2.267542 0.2793655 3.049760 
1 1 1  -18    6   20 o 83.13800 1.708487  79.35001 2.300000   80.40000 4.600000   78.30000 4.600000   83.68948 2.400085   82.58652   2.432139 1.102959 3.416974 
1 1 1  -18    6   21 f 75.34102 1.626350  65.24430 1.959494   64.70000 4.300000   65.70000 3.600000   75.03065 2.502473   75.65138   2.077903 -0.6207275 3.252700 
1 1 1  -18    6   22 o 54.32178 1.905939  33.92537 1.665672   35.00000 3.600000   33.00000 3.100000   55.10129 2.852860   53.54226   2.528161 1.559025 3.811877 
1 1 1  -18    6   23 o 52.71256 1.789186  32.05738 1.521312   32.20000 2.900000   31.90000 3.200000   52.85574 2.395772   52.56938   2.658011 0.2863617 3.578373 
1 1 1  -18    6   24 o 20.38924 4.315299  4.712121 1.625758   1.900000 2.900000   8.300000 3.700000   15.11670 5.862188   25.66179   6.334190 -10.54509 8.630597 
1 1 1  -18    6   25 o 16.20334 4.326615  1.742857 1.748571   4.900000 3.400000  -1.600000 3.600000   19.82430 6.493484   12.58238   5.719533 7.241920 8.653230 
1 1 1  -18    6   26 o 16.32631 4.290275  2.780000 1.560000   3.900000 2.600000   1.100000 3.900000   17.51776 5.675075   15.13485   6.435787 2.382906 8.580549 
1 1 1  -18    6   27 f 24.04984 4.726759  7.505195 1.688312   5.200000 2.500000   12.30000 5.200000   19.66304 5.390790   28.43664   7.765848 -8.773594 9.453518 
1 1 1  -18    6   28 o 62.42078 2.127733  44.61279 1.982558   37.80000 3.100000   56.70000 5.500000   56.62502 2.390524   68.21655   3.520567 -11.59153 4.255467 
1 1 1  -18    8    1 o 190.5762 2.065865  416.1004 6.370196   410.8000 12.40000   421.7000 13.10000   189.3319 2.859812   191.8205   2.982057 -2.488602 4.131730 
1 1 1  -18    8    2 o 99.28401 2.089592  111.3774 3.166917   121.0000 8.100000   105.2000 5.200000   102.7419 3.442524   95.82610   2.369514 6.915825 4.179183 
1 1 1  -18    8    3 o 144.2197 2.220302  235.8146 4.974757   253.7000 12.20000   223.5000 8.400000   148.7702 3.580828   139.6691   2.626144 9.101105 4.440604 
1 1 1  -18    8    4 o 214.2703 2.689873  524.9734 8.885869   533.8000 21.80000   518.9000 15.00000   215.7444 4.412216   212.7962   3.077990 2.948196 5.379746 
1 1 1  -18    8    5 o 135.6102 1.673087  210.1633 3.661225   221.2000 7.800000   200.4000 6.900000   138.9553 2.451090   132.2651   2.277946 6.690170 3.346174 
1 1 1  -18    8    6 o 148.5810 1.663678  253.0394 3.999375   245.8000 8.100000   260.1000 7.900000   146.4789 2.414624   150.6831   2.289298 -4.204178 3.327355 
1 1 1  -18    8    7 o 188.1229 1.920475  405.1248 5.839316   395.6000 11.20000   415.5000 12.20000   185.8183 2.631899   190.4275   2.797498 -4.609222 3.840949 
1 1 1  -18    8    8 o 224.7763 2.274756  579.3495 8.274321   562.7000 16.70000   595.7000 16.40000   221.5691 3.291145   227.9836   3.141087 -6.414505 4.549513 
1 1 1  -18    8    9 o 81.76539 1.548396  76.54634 2.048780   72.40000 4.000000   80.90000 4.200000   79.49670 2.197104   84.03408   2.182396 -4.537384 3.096792 
1 1 1  -18    8   10 o 142.3801 1.779187  231.7390 4.078049   224.0000 7.600000   240.7000 8.800000   139.8259 2.373372   144.9344   2.651252 -5.108521 3.558374 
1 1 1  -18    8   11 o 160.3217 1.810861  294.5500 4.700000   302.7000 9.400000   286.4000 9.400000   162.5415 2.525244   158.1019   2.596153 4.439514 3.621722 
1 1 1  -18    8   12 o 116.6827 1.679819  155.6701 3.165354   148.3000 6.000000   163.9000 6.700000   113.7680 2.302877   119.5974   2.446205 -5.829369 3.359637 
1 1 1  -18    8   13 o 266.4531 2.578382  814.6279 11.12494   804.8000 22.20000   824.5000 22.30000   264.8401 3.660235   268.0660   3.632476 -3.225952 5.156763 
1 1 1  -18    8   14 o 116.7754 1.658291  156.4296 3.108800   158.1000 5.800000   154.5000 6.700000   117.4564 2.156210   116.0944   2.520016 1.362000 3.316583 
1 1 1  -18    8   15 o 234.7445 2.479820  631.7971 9.395756   613.1000 17.80000   652.7000 19.90000   231.0978 3.363287   238.3912   3.645042 -7.293442 4.959640 
1 1 1  -18    8   16 o 171.6325 1.934234  338.0139 5.372093   339.6000 11.00000   336.5000 10.50000   172.0181 2.792275   171.2469   2.677357 0.7712250 3.868468 
1 1 1  -18    8   17 o 70.09190 1.676016  56.43684 1.898684   55.00000 3.900000   57.80000 3.700000   69.21530 2.460380   70.96851   2.276542 -1.753212 3.352031 
1 1 1  -18    8   18 o 128.5946 1.624180  189.8800 3.360000   190.2000 7.200000   189.6000 6.300000   128.6719 2.443365   128.5173   2.140516 0.1545715 3.248360 
1 1 1  -18    8   19 o 71.70644 1.657735  59.08701 1.924675   58.10000 3.800000   60.10000 3.900000   71.10094 2.333716   72.31193   2.355019 -1.210983 3.315470 
1 1 1  -18    8   20 o 34.49720 3.476165  14.49296 1.766197   7.800000 3.300000   22.20000 3.800000   25.24088 5.826908   43.75353   3.792366 -18.51265 6.952330 
1 1 1  -18    8   21 o 18.52271 4.042212  4.023636 1.374545   2.600000 2.700000   5.500000 2.800000   15.93534 5.761734   21.11009   5.671008 -5.174756 8.084424 
1 1 1  -18    8   22 o 74.75435 1.714097  64.64337 2.074699   64.10000 4.100000   65.20000 4.200000   74.44238 2.404935   75.06633   2.443114 -0.6239548 3.428195 
1 1 1  -18    8   23 f 70.61278 1.969052  57.77778 2.222222   54.40000 4.000000   62.00000 5.000000   68.40537 2.553345   72.82018   2.998182 -4.414803 3.938104 
1 1 1  -18    8   24 o 27.82618 4.319976  10.30395 1.898684   12.10000 3.900000   8.600000 3.700000   30.42480 5.809159   25.22756   6.395503 5.197235 8.639953 
1 1 1  -18    8   25 o 29.85033 3.313447  11.13125 1.575000   10.30000 2.800000   12.20000 3.600000   28.83338 4.240355   30.86727   5.092652 -2.033888 6.626893 
1 1 1  -18    8   26 o 24.42433 5.006842  8.858824 2.117647   9.800000 4.000000   7.800000 4.500000   26.10379 6.667241   22.74488   7.471395 3.358908 10.01368 
1 1 1  -18   10    1 o 40.50353 3.140872  18.95000 2.050000   21.10000 4.100000   16.80000 4.100000   42.82138 4.180833   38.18568   4.688382 4.635700 6.281743 
1 1 1  -18   10    2 o 42.48885 3.105649  20.55294 2.058824   19.40000 3.500000   22.20000 5.000000   41.08723 3.719640   43.89048   4.974384 -2.803257 6.211298 
1 1 1  -18   10    3 o 174.5217 1.997714  349.7258 5.592889   345.8000 12.10000   353.1000 10.40000   173.5830 3.043813   175.4604   2.588176 -1.877441 3.995429 
1 1 1  -18   10    4 o 88.09352 1.684675  88.78333 2.383333   86.40000 4.400000   91.60000 5.200000   86.81452 2.213095   89.37252   2.540616 -2.557999 3.369350 
1 1 1  -18   10    5 o 21.07852 4.311736  4.939726 1.747945   7.800000 2.900000  0.6000000 4.400000   25.57223 5.130307   16.58481   6.931392 8.987423 8.623471 
1 1 1  -18   10    6 o 53.81681 2.344263  33.30000 1.920000   33.50000 3.200000   33.00000 4.800000   54.04632 2.585375   53.58731   3.911281 0.4590149 4.688527 
1 1 1  -18   10    7 o 120.1999 1.621202  165.8778 3.149206   157.7000 6.400000   173.8000 6.200000   117.2731 2.382985   123.1267   2.198766 -5.853638 3.242405 
1 1 1  -18   10    8 o 28.29205 3.818560  9.000000 1.552941   7.800000 2.400000   11.20000 4.400000   26.04421 4.023831   30.53989   6.491100 -4.495674 7.637120 
1 1 1  -18   10    9 o 27.86908 3.408465  9.113334 1.498333   9.500000 2.900000   8.700000 3.100000   28.72438 4.408462   27.01377   5.199616 1.710604 6.816931 
1 1 1  -18   10   10 o 69.58984 1.963297  55.81591 2.195454   59.30000 4.200000   52.00000 4.600000   71.88790 2.551133   67.29178   2.984939 4.596123 3.926594 
1 1 1  -18   10   11 o 21.39322 4.230624  5.381967 1.491803   4.700000 2.600000   6.300000 3.500000   19.84784 5.519647   22.93859   6.412972 -3.090748 8.461247 
1 1 1  -18   10   12 o 66.38077 2.046671  50.65000 2.200000   50.20000 4.400000   51.10000 4.400000   66.08475 2.907308   66.67678   2.881494 -0.5920258 4.093342 
1 1 1  -18   10   13 o 53.91809 2.263486  33.47468 1.974684   35.50000 4.000000   31.50000 3.900000   55.53408 3.145141   52.30210   3.256006 3.231979 4.526973 
1 1 1  -18   10   14 o 27.73189 3.334932  9.250000 1.335714   9.800000 2.200000   8.400000 3.400000   29.15407 3.295059   26.30971   5.799109 2.844362 6.669863 
1 1 1  -18   10   15 o 20.24007 4.455373  4.750000 1.650000   3.400000 3.300000   6.100000 3.300000   18.06074 6.387849   22.41940   6.212629 -4.358658 8.910746 
1 1 1  -18   10   16 o 38.96004 2.585812  17.61692 1.624615   15.50000 3.200000   19.80000 3.300000   36.55737 3.822212   41.36272   3.483731 -4.805351 5.171623 
1 1 1  -18   10   17 o 40.50836 2.481921  18.84923 1.606154   24.00000 3.600000   14.70000 2.900000   45.45654 3.458166   35.56019   3.561014 9.896351 4.963842 
1 1 1  -18   10   18 f 42.62908 3.556725  22.12857 2.074725   19.60000 5.900000   23.50000 3.200000   40.25356 6.400110   45.00460   3.104794 -4.751041 7.113449 
1 1 1  -18   10   19 o 38.42979 3.260872  17.89610 1.807792   16.40000 4.800000   18.80000 2.900000   36.71976 5.707962   40.13983   3.154730 -3.420063 6.521745 
1 1 1  -18   10   20 o 18.99418 5.000937  2.909091 2.290909  -2.500000 6.300000   6.000000 3.600000   16.35336 7.484417   21.63499   6.634830 -5.281630 10.00187 
1 1 1  -18   10   21 o 16.10892 3.916357  1.111428 1.698571  -5.800000 4.100000   6.000000 2.900000   10.88004 5.277439   21.33780   5.787924 -10.45776 7.832715 
1 1 1  -18   10   22 o 22.02813 5.577869  6.815094 2.616038   4.700000 5.900000   8.500000 4.700000   19.97809 8.154835   24.07817   7.612435 -4.100075 11.15574 
1 1 1  -18   10   23 o 22.85627 5.151916  7.686517 2.202247   6.200000 4.900000   8.900000 4.000000   20.84051 7.724768   24.87203   6.818865 -4.031527 10.30383 
1 1 1  -18   10   24 o 26.47725 4.503460  10.30909 1.870130   9.900000 4.500000   10.60000 3.200000   24.97054 7.365418   27.98395   5.184133 -3.013403 9.006921 
1 1 1  -18   12    1 o 31.65355 3.173396  11.73692 1.624615   10.90000 3.200000   12.60000 3.300000   30.49209 4.582500   32.81501   4.391179 -2.322927 6.346791 
1 1 1  -18   12    2 o 15.41788 4.467667 0.9805555 1.794444   2.300000 3.800000 -0.2000000 3.400000   17.12870 6.691535   13.70705   5.921447 3.421655 8.935333 
1 1 1  -18   12    3 o 34.46697 2.742167  13.82459 1.521312   14.30000 2.900000   13.30000 3.200000   35.12428 3.605208   33.80966   4.132843 1.314621 5.484334 
1 1 1  -18   12    4 o 40.15155 2.653209  18.67826 1.721739   19.20000 3.600000   18.20000 3.300000   40.67297 3.864883   39.63014   3.636035 1.042831 5.306417 
1 1 1  -18   12    5 o 52.37811 2.151026  31.63014 1.821918   33.40000 3.800000   30.00000 3.500000   53.77733 3.085489   50.97888   2.997902 2.798450 4.302053 
1 1 1  -18   12    6 o 47.92164 2.515684  26.58312 1.870130   26.50000 3.200000   26.70000 4.500000   47.92139 2.915817   47.92189   4.100325 -0.4997253E-03 5.031367 
1 1 1  -18   12    7 o 48.93818 2.846456  27.88333 2.245556   27.10000 4.700000   28.60000 4.300000   48.23569 4.254702   49.64067   3.782427 -1.404987 5.692911 
1 1 1  -18   12    8 o 11.14356 3.820488 -6.566667 2.080952  -7.200000 3.800000  -5.800000 4.600000   10.02415 4.909719   12.26297   5.854843 -2.238816 7.640977 
1 1 1  -18   12    9 o 37.06864 2.910403  16.18696 1.721739   14.10000 3.600000   18.10000 3.300000   34.68197 4.532506   39.45531   3.652147 -4.773335 5.820807 
1 1 1  -18   12   10 o 44.92326 2.386711  23.39130 1.695652   23.00000 3.000000   23.90000 3.900000   44.57064 2.939085   45.27589   3.761294 -0.7052536 4.773422 
1 1 1  -18   12   11 o 38.31404 2.813173  17.04203 1.707246   23.10000 3.800000   12.10000 3.100000   44.50159 3.728616   32.12648   4.213454 12.37511 5.626346 
1 1 1  -18   12   12 o 25.89541 4.047862  8.943836 1.767123   13.30000 3.000000   2.700000 4.300000   33.71120 3.885857   18.07962   7.102174 15.63158 8.095724 
1 1 1  -18   12   13 o 11.92957 3.734491 -1.332203 1.464407   1.000000 3.200000  -3.300000 2.700000   14.40174 5.955825   9.457388   4.507089 4.944357 7.468983 
1 1 1  -18   12   14 o 12.05963 3.792204 -2.500000 1.680000  -7.900000 4.200000   1.100000 2.800000   10.37878 5.099291   13.74049   5.614309 -3.361709 7.584407 
1 1 1  -18   12   15 o 16.72722 4.385702  2.450000 1.700000   4.900000 3.400000   0.000000 3.400000   19.85840 6.492941   13.59605   5.897393 6.262351 8.771404 
1 1 1  -18   12   16 o 17.11500 4.216444  3.148276 1.339655   1.700000 2.100000   5.700000 3.700000   13.29144 5.029921   20.93856   6.768567 -7.647118 8.432888 
1 1 1  -18   12   17 o 12.78645 4.070054 -1.091305 1.620290  -2.900000 2.600000   1.900000 4.300000   9.281947 4.423302   16.29095   6.833429 -7.009002 8.140108 
1 1 1  -18   12   18 o 21.32282 4.914072  6.389744 1.917949   5.300000 3.400000   7.800000 4.400000   19.61882 6.496748   23.02682   7.374596 -3.407995 9.828143 
1 1 1  -18   12   19 o 14.66588 4.351186  1.448571 1.744286   2.400000 3.700000  0.6000000 3.300000   15.86730 6.465204   13.46446   5.825155 2.402843 8.702373 
1 1 1  -18   12   20 o 23.19345 3.704792  6.883099 1.771831 -0.3000000 3.400000   14.70000 3.700000   12.60383 5.659591   33.78308   4.782359 -21.17925 7.409584 
1 1 1  -18   14    1 o 27.10530 4.444962  10.12078 1.924675   8.500000 3.900000   11.70000 3.800000   24.58025 6.730701   29.63037   5.807617 -5.050119 8.889924 
1 1 1  -18   14    2 o 14.12029 4.225977 0.9402985 1.674627  0.3000000 3.300000   1.600000 3.400000   13.36456 5.803506   14.87601   6.144498 -1.511447 8.451955 
1 1 1  -18   14    3 o 18.56032 4.640069  2.979546 2.159091  -3.100000 5.000000   7.600000 3.800000   13.66157 6.394440   23.45906   6.725483 -9.797485 9.280139 
1 1 1  -18   14    4 o 9.922116 3.364909 -3.271429 1.431746  -1.700000 2.200000  -6.200000 4.100000   9.193565 4.282713   10.65067   5.191226 -1.457102 6.729818 
1 1 1  -18   14    5 o 26.60492 4.515560  9.161446 2.007229   4.000000 3.400000   16.60000 4.900000   17.95959 6.469766   35.25025   6.301053 -17.29066 9.031120 
1 1 1  -18   14    6 o 18.33904 4.722689  4.062162 1.848649   2.700000 3.600000   5.500000 3.800000   16.41130 6.481949   20.26678   6.870190 -3.855486 9.445378 
1 1 1  -18   14    7 o 31.88881 3.854285  13.03247 1.898701   13.20000 4.300000   12.90000 3.400000   31.44154 6.192128   32.33607   4.591254 -0.8945313 7.708570 
1 1 1  -18   14    8 o 18.07210 4.607152  2.821177 2.089412   7.000000 3.700000  -2.600000 4.800000   22.52339 6.687616   13.62081   6.338706 8.902583 9.214304 
1 1 1  -18   14    9 o 17.57935 4.178655  3.200000 1.615385 -0.4000000 3.000000   7.400000 3.500000   12.07379 5.376223   23.08492   6.398503 -11.01113 8.357309 
1 1 1  -18   14   10 o 17.63874 4.430627  3.611111 1.777778   6.100000 3.200000  0.5000000 4.000000   20.91408 6.221542   14.36341   6.309854 6.550669 8.861255 
1 1 1  -18   14   11 o 17.24937 4.511560  2.226744 2.075581   6.500000 3.500000  -4.000000 5.100000   21.42698 6.536830   13.07176   6.219853 8.355220 9.023121 
1 1 1  -18   14   12 o 15.98677 4.485572  2.575000 1.731945   3.300000 2.900000   1.500000 4.300000   16.35035 5.962179   15.62318   6.703272 0.7271633 8.971145 
1 1 1  -18   14   13 o 16.58920 4.646099  3.086667 1.834667   3.300000 3.200000   2.800000 4.300000   16.45183 6.213130   16.72658   6.909555 -0.2747478 9.292198 
1 1 1  -18   14   14 o 12.91638 3.849070 -0.3625000 1.593750   3.200000 3.000000  -4.400000 3.400000   15.93307 6.016171   9.899688   4.802816 6.033383 7.698140 
1 1 1  -17    1    1 o 468.6858 4.421580  2516.935 30.05027   2508.000 47.30000   2532.500 82.40000   467.7755 4.415331   469.5961   7.662006 -1.820526 8.843161 
1 1 1  -17    1    2 o 201.8495 2.180560  467.4757 6.151470   469.1000 9.400000   464.4000 17.80000   202.3835 2.028114   201.3156   3.860845 1.067978 4.361120 
1 1 1  -17    1    3 o 159.9778 1.854313  293.0543 4.487234   292.7000 7.400000   293.6000 11.40000   159.8655 2.021235   160.0902   3.109423 -0.2247009 3.708625 
1 1 1  -17    1    4 o 534.1689 5.985375  3277.899 51.77064   3229.200 102.6000   3327.500 104.5000   530.1674 8.450336   538.1703   8.478836 -8.002930 11.97075 
1 1 1  -17    1    5 o 295.7425 3.024962  1012.815 14.01582   929.0000 31.90000   1078.500 25.00000   284.6765 4.893041   306.8085   3.558053 -22.13202 6.049925 
1 1 1  -17    1    6 o 476.6343 4.777191  2591.948 34.67223   2533.700 57.30000   2681.200 87.80000   470.0843 5.322536   483.1843   7.934535 -13.10001 9.554382 
1 1 1  -17    1    7 o 276.4691 3.364130  875.7000 21.30000   875.7000 21.30000          ?        ?   276.4691 3.364130          ?          ?       ?       ? 
1 1 1  -17    1    8 o 164.5034 1.576834  309.8965 4.197619   307.7000 8.200000   312.2000 8.600000   163.9071 2.184519   165.0997   2.274532 -1.192566 3.153667 
1 1 1  -17    1    9 o 446.8887 3.799680  2288.882 27.47955   2353.600 56.50000   2227.600 53.50000   453.0266 5.445835   440.7509   5.300297 12.27567 7.599360 
1 1 1  -17    1   10 o 311.6087 2.821764  1112.818 14.20176   1116.800 27.30000   1108.500 29.60000   312.1992 3.818305   311.0183   4.155713 1.180908 5.643527 
1 1 1  -17    1   11 o 261.1240 2.423867  780.6035 10.23805   801.7000 21.20000   760.9000 19.80000   264.5309 3.499446   257.7172   3.354760 6.813629 4.847735 
1 1 1  -17    1   12 f 640.6618 6.308028  4720.085 62.34734   4736.700 105.9000   4696.300 151.6000   642.4272 7.197998   638.8964   10.36116 3.530884 12.61606 
1 1 1  -17    1   13 o 283.6300 2.802756  912.9761 11.58842   889.0000 18.20000   955.0000 31.90000   278.5927 2.852603   288.6674   4.825394 -10.07468 5.605513 
1 1 1  -17    1   14 o 318.3162 3.389173  1155.899 15.28199   1143.100 23.50000   1179.700 43.70000   315.8885 3.248432   320.7438   5.949258 -4.855316 6.778347 
1 1 1  -17    1   15 o 555.3704 5.496367  3557.967 47.67550   3660.300 83.40000   3421.400 111.3000   564.9388 6.446209   545.8019   8.904302 19.13690 10.99273 
1 1 1  -17    1   16 o 538.7464 5.017022  3326.900 61.90000   3326.900 61.90000          ?        ?   538.7464 5.017022          ?          ?       ?       ? 
1 1 1  -17    1   17 o 462.1463 4.714642  2428.637 30.78816   2376.100 47.10000   2527.800 88.90000   455.2869 4.517264   469.0057   8.276818 -13.71878 9.429284 
1 1 1  -17    1   18 o 525.8486 5.059507  3142.895 37.97060   3059.900 58.50000   3296.400 108.2000   516.5230 4.945451   535.1743   8.828191 -18.65131 10.11901 
1 1 1  -17    1   19 o 189.5216 2.386402  409.7617 6.806969   402.8000 11.10000   420.8000 17.60000   187.4940 2.585088   191.5491   4.012104 -4.055145 4.772804 
1 1 1  -17    1   20 f 336.2535 3.254537  1303.797 16.16982   1324.000 26.10000   1270.900 42.50000   339.8549 3.353410   332.6520   5.578771 7.202972 6.509074 
1 1 1  -17    1   21 o 191.5512 2.174958  421.7466 6.183206   424.8000 10.00000   416.8000 16.20000   192.5287 2.268006   190.5736   3.711863 1.955109 4.349916 
1 1 1  -17    1   22 o 158.4058 2.220762  289.3566 5.077626   292.9000 8.000000   283.2000 13.90000   159.8400 2.185467   156.9716   3.866636 2.868301 4.441525 
1 1 1  -17    1   23 o 47.54234 2.812024  26.46667 2.041667   28.30000 3.500000   23.90000 4.900000   49.61337 3.080414   45.47132   4.705419 4.142052 5.624048 
1 1 1  -17    1   24 o 59.36083 2.067795  41.38572 1.885714   45.50000 3.300000   35.90000 4.400000   62.93393 2.289649   55.78773   3.443925 7.146191 4.135591 
1 1 1  -17    1   25 o 92.81799 1.779024  99.59320 2.398058   100.7000 3.800000   97.70000 6.500000   93.64889 1.771824   91.98710   3.085504 1.661789 3.558047 
1 1 1  -17    1   26 o 89.13551 1.904432  92.85094 2.514151   96.10000 4.100000   87.70000 6.500000   91.37564 1.959265   86.89539   3.266302 4.480247 3.808864 
1 1 1  -17    1   27 o 21.89952 4.327270  5.852308 1.578462   3.900000 2.700000   8.600000 3.800000   17.94435 5.780047   25.85470   6.441436 -7.910353 8.654539 
1 1 1  -17    1   28 o 23.46677 5.034335  7.350000 2.062500   8.100000 3.300000   6.100000 5.500000   24.94236 5.874154   21.99118   8.177557 2.951176 10.06867 
1 1 1  -17    1   29 o 24.49689 3.992121  8.841892 1.714865   12.60000 2.700000   2.300000 4.700000   32.21692 3.659481   16.77688   7.096218 15.44004 7.984241 
1 1 1  -17    1   30 o 27.98944 4.453470  11.04000 1.920000   11.40000 3.200000   10.50000 4.800000   29.92142 4.669899   26.05745   7.584565 3.863974 8.906940 
1 1 1  -17    3    1 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -17    3    2 f 399.4666 3.351519  1827.098 21.62169   1784.900 41.20000   1873.700 45.50000   394.6328 4.558728   404.3004   4.914134 -9.667511 6.703037 
1 1 1  -17    3    3 o 171.7323 1.663068  337.7335 4.623784   341.9000 9.400000   333.7000 9.100000   172.7741 2.375685   170.6906   2.327939 2.083588 3.326136 
1 1 1  -17    3    4 o 74.09138 0.9593030  62.90000 1.150000   59.90000 2.300000   65.90000 2.300000   72.32334 1.388638   75.85944   1.323908 -3.536095 1.918606 
1 1 1  -17    3    5 o 223.6965 1.994604  573.2166 7.224914   582.9000 14.50000   563.6000 14.40000   225.5799 2.806773   221.8131   2.834751 3.766785 3.989209 
1 1 1  -17    3    6 o 197.9477 1.918501  447.7459 6.123984   429.0000 11.50000   469.1000 13.10000   193.5291 2.594724   202.3662   2.826657 -8.837021 3.837002 
1 1 1  -17    3    7 o 195.8446 1.797286  439.2838 5.699562   431.8000 11.30000   446.9000 11.50000   194.1618 2.541291   197.5275   2.542202 -3.365707 3.594572 
1 1 1  -17    3    8 o 178.8182 1.701873  366.3503 4.921828   370.2000 9.600000   362.3000 10.10000   179.7839 2.331633   177.8525   2.479712 1.931427 3.403745 
1 1 1  -17    3    9 f 296.3912 2.609665  1005.904 12.51058   986.1000 24.20000   1027.100 25.90000   293.3769 3.601880   299.4056   3.777284 -6.028687 5.219330 
1 1 1  -17    3   10 o 72.74488 1.440617  0.000000 0.000000          ?        ?   60.60000 2.400000          ?        ?   72.74488   1.440617       ?       ? 
1 1 1  -17    3   11 o 124.7229 1.423882  177.6200 2.857391   170.2000 5.300000   186.3000 6.200000   121.9065 1.898404   127.5393   2.122693 -5.632813 2.847765 
1 1 1  -17    3   12 o 82.29579 1.261632  77.75671 1.671642   81.10000 3.200000   74.10000 3.500000   84.15333 1.660422   80.43825   1.899963 3.715080 2.523264 
1 1 1  -17    3   13 o 469.1763 3.883816  2523.523 29.49314   2544.400 58.10000   2502.000 59.90000   471.1566 5.384564   467.1960   5.598445 3.960632 7.767633 
1 1 1  -17    3   14 o 166.2820 1.690279  316.4583 4.541209   311.2000 8.700000   322.2000 9.500000   164.8393 2.304615   167.7247   2.473241 -2.885406 3.380557 
1 1 1  -17    3   15 o 530.3870 6.194179  3229.633 53.14568   3296.400 109.8000   3167.000 103.0000   535.6600 8.950615   525.1140   8.564921 10.54602 12.38836 
1 1 1  -17    3   16 o 275.2331 3.569617  868.0000 22.50000   868.0000 22.50000          ?        ?   275.2331 3.569617          ?          ?       ?       ? 
1 1 1  -17    3   17 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -17    3   18 o 266.4697 2.583812  812.4704 11.11211   781.3000 21.00000   847.5000 23.60000   261.0647 3.512456   271.8747   3.790382 -10.80997 5.167624 
1 1 1  -17    3   19 o 253.3692 2.785604  730.2825 10.26194   714.4000 16.10000   758.2000 28.30000   249.6882 2.815578   257.0501   4.807378 -7.361893 5.571208 
1 1 1  -17    3   20 o 138.4114 1.847547  219.5455 4.090909   219.0000 7.500000   220.2000 9.000000   138.2353 2.369093   138.5875   2.835686 -0.3522491 3.695093 
1 1 1  -17    3   21 o 56.58344 2.222973  35.50610 1.971951   27.90000 3.300000   46.80000 4.900000   49.31512 2.921955   63.85175   3.350912 -14.53663 4.445946 
1 1 1  -17    3   22 f 35.49580 3.287812  13.90526 1.815789   9.800000 3.000000   20.20000 4.600000   29.15465 4.493173   41.83696   4.801064 -12.68231 6.575623 
1 1 1  -17    3   23 o 24.24745 3.633686  6.596552 1.387931   3.900000 2.300000   10.70000 3.500000   18.12923 5.242503   30.36567   5.032977 -12.23644 7.267372 
1 1 1  -17    3   24 o 70.24481 1.801048  57.47250 1.955000   61.00000 3.400000   52.70000 4.600000   72.87370 2.037266   67.61594   2.970629 5.257759 3.602096 
1 1 1  -17    3   25 o 67.56389 2.007284  54.25000 2.041667   60.50000 3.500000   45.50000 4.900000   72.50526 2.107843   62.62251   3.416688 9.882755 4.014568 
1 1 1  -17    3   26 o 52.07629 2.599330  31.40000 3.100000   31.40000 3.100000          ?        ?   52.07629 2.599330          ?          ?       ?       ? 
1 1 1  -17    3   27 o 75.50565 1.984786  66.69575 2.221277   67.50000 3.600000   65.40000 5.800000   76.41039 2.057263   74.60091   3.394874 1.809479 3.969571 
1 1 1  -17    3   28 o 32.31549 3.845875  12.81026 1.794872   10.80000 2.800000   16.40000 5.000000   29.78590 4.104753   34.84508   6.504922 -5.059179 7.691750 
1 1 1  -17    3   29 o 27.34510 4.385869  10.61026 1.867949   12.20000 3.100000   8.200000 4.700000   31.32862 4.320760   23.36157   7.633767 7.967047 8.771737 
1 1 1  -17    3   30 o 27.63453 4.405037  12.13614 1.855422   14.70000 2.800000   7.100000 5.500000   34.51291 3.542552   20.75615   8.066457 13.75676 8.810074 
1 1 1  -17    5    1 o 691.2565 7.900423  5497.108 88.26384   5376.200 169.3000   5628.800 184.4000   683.4413 10.81672   699.0717   11.51805 -15.63037 15.80085 
1 1 1  -17    5    2 o 484.4549 3.996123  2690.507 31.34490   2667.800 61.90000   2713.800 63.50000   482.3895 5.603153   486.5204   5.699181 -4.130859 7.992245 
1 1 1  -17    5    3 o 463.2809 3.842283  2459.798 28.81353   2488.000 58.80000   2432.700 56.50000   465.8772 5.511193   460.6847   5.355307 5.192444 7.684566 
1 1 1  -17    5    4 o 315.5216 2.916081  1139.434 14.87164   1175.700 31.10000   1106.200 28.50000   320.3219 4.239489   310.7213   4.005102 9.600647 5.832161 
1 1 1  -17    5    5 o 319.6667 2.803972  1169.153 14.43103   1144.900 27.00000   1197.000 31.00000   316.1215 3.729490   323.2119   4.188071 -7.090424 5.607944 
1 1 1  -17    5    6 o 178.6847 1.812036  366.0158 5.198086   370.1000 9.700000   361.3000 11.20000   179.7630 2.356194   177.6064   2.753589 2.156586 3.624073 
1 1 1  -17    5    7 o 113.1910 1.282381  146.7500 2.350000   150.5000 4.700000   143.0000 4.700000   114.6376 1.790236   111.7443   1.836589 2.893280 2.564763 
1 1 1  -17    5    8 o 253.9240 2.334738  738.4161 9.593490   749.6000 19.70000   727.8000 18.70000   255.7952 3.362897   252.0527   3.239589 3.742508 4.669477 
1 1 1  -17    5    9 o 177.0718 1.666190  359.2602 4.774869   370.7000 9.500000   347.7000 9.600000   179.9079 2.305754   174.2357   2.405879 5.672180 3.332380 
1 1 1  -17    5   10 o 200.5339 2.210374  462.4820 6.926502   448.4000 16.20000   473.0000 12.10000   197.8469 3.575408   203.2210   2.599899 -5.374161 4.420748 
1 1 1  -17    5   11 o 393.6652 3.400069  1776.102 21.67497   1774.400 43.40000   1777.800 43.30000   393.4762 4.816272   393.8541   4.800563 -0.3779297 6.800138 
1 1 1  -17    5   12 o 512.1046 4.204091  3001.899 34.80387   3167.400 72.90000   2850.700 66.60000   525.5756 6.056644   498.6335   5.832201 26.94217 8.408181 
1 1 1  -17    5   13 o 343.6720 3.848228  1331.939 19.57313   1446.600 53.10000   1265.000 31.00000   355.0922 6.529699   332.2518   4.074123 22.84039 7.696456 
1 1 1  -17    5   14 o 65.73628 1.385552  49.47797 1.474576   48.20000 2.900000   50.80000 3.000000   64.87299 1.951973   66.59959   1.966932 -1.726601 2.771105 
1 1 1  -17    5   15 o 306.0463 2.779446  1073.542 13.77459   1063.000 27.40000   1084.200 27.70000   304.5355 3.928731   307.5570   3.932728 -3.021484 5.558892 
1 1 1  -17    5   16 o 100.2015 1.525245  114.8455 2.468687   111.0000 4.700000   119.1000 5.200000   98.43862 2.084836   101.9644   2.226868 -3.525780 3.050489 
1 1 1  -17    5   17 o 175.5838 1.846183  352.9024 5.242381   341.6000 10.10000   365.1000 10.90000   172.6661 2.554195   178.5015   2.666394 -5.835373 3.692366 
1 1 1  -17    5   18 o 334.9617 2.908509  1287.434 15.76355   1272.400 30.70000   1303.300 32.40000   332.9690 4.026005   336.9543   4.198689 -3.985321 5.817018 
1 1 1  -17    5   19 o 62.85622 1.843808  45.23333 1.866667   44.30000 3.500000   46.30000 4.000000   62.16653 2.458392   63.54593   2.748603 -1.379398 3.687616 
1 1 1  -17    5   20 o 147.8855 1.785623  250.8790 4.273684   252.5000 8.400000   249.2000 8.700000   148.3770 2.472022   147.3940   2.577385 0.9830780 3.571247 
1 1 1  -17    5   21 o 21.01131 4.124609  5.285000 1.485000   6.500000 2.700000   3.800000 3.300000   23.24281 5.202195   18.77982   6.402092 4.462996 8.249219 
1 1 1  -17    5   22 f 35.60429 2.919647  14.85000 1.650000   18.20000 3.300000   11.50000 3.300000   39.71278 3.628468   31.49580   4.575104 8.216982 5.839294 
1 1 1  -17    5   23 o 123.0642 1.719007  174.3066 3.424818   168.4000 6.800000   180.3000 6.900000   120.9575 2.454798   125.1708   2.407054 -4.213226 3.438014 
1 1 1  -17    5   24 o 43.54644 2.493929  22.07143 1.737143   22.30000 3.200000   21.80000 3.800000   43.85431 3.186232   43.23857   3.837532 0.6157379 4.987858 
1 1 1  -17    5   25 o 29.35572 3.023325  10.06491 1.371930   9.500000 2.300000   10.90000 3.400000   28.49371 3.524670   30.21773   4.913114 -1.724014 6.046650 
1 1 1  -17    5   26 o 48.15345 2.359099  26.19178 1.673972   23.20000 2.600000   31.60000 4.700000   44.68757 2.540542   51.61933   3.975806 -6.931763 4.718197 
1 1 1  -17    5   27 o 32.25937 3.293234  13.10000 1.650000   10.60000 3.300000   15.60000 3.300000   28.67583 5.217216   35.84291   4.020224 -7.167086 6.586467 
1 1 1  -17    5   28 o 22.55335 4.847429  7.245783 1.886747   7.700000 2.900000   6.400000 5.400000   23.99659 5.406676   21.11011   8.047244 2.886480 9.694859 
1 1 1  -17    5   29 o 53.26294 2.530076  35.41905 2.023810   37.20000 3.400000   32.80000 5.000000   55.80228 2.660521   50.72359   4.304272 5.078697 5.060151 
1 1 1  -17    7    1 o 204.5731 2.145101  479.7260 7.096831   490.2000 13.90000   468.8000 14.50000   206.8590 2.934135   202.2871   3.129965 4.571915 4.290202 
1 1 1  -17    7    2 o 526.7841 5.474618  3170.434 44.06329   3104.200 73.20000   3270.600 110.7000   520.1902 6.144528   533.3778   9.062591 -13.18756 10.94924 
1 1 1  -17    7    3 o 398.8910 3.417590  1823.989 22.07429   1817.000 44.40000   1830.900 43.90000   398.1277 4.869679   399.6542   4.796449 -1.526550 6.835181 
1 1 1  -17    7    4 o 305.9536 2.786329  1072.901 13.79982   1100.700 27.50000   1044.900 27.70000   309.9362 3.874360   301.9709   4.005477 7.965302 5.572658 
1 1 1  -17    7    5 o 94.16054 1.688604  101.5843 2.501961   101.8000 4.400000   101.3000 5.800000   94.27972 2.037859   94.04135   2.693078 0.2383652 3.377208 
1 1 1  -17    7    6 o 328.0446 3.573208  1227.822 17.73342   1206.300 29.10000   1261.400 45.40000   324.4586 3.916277   331.6306   5.977795 -7.171936 7.146416 
1 1 1  -17    7    7 o 460.2453 4.740820  2425.931 33.74699   2403.200 57.30000   2458.500 82.10000   457.7934 5.465436   462.6972   7.747935 -4.903809 9.481640 
1 1 1  -17    7    8 o 207.4137 2.470940  489.4317 7.887805   474.3000 13.20000   511.9000 19.60000   203.4804 2.832638   211.3469   4.049486 -7.866501 4.941879 
1 1 1  -17    7    9 o 126.6279 2.206475  183.5238 4.518232   177.9000 8.700000   189.6000 9.400000   124.6132 3.048561   128.6426   3.190675 -4.029419 4.412951 
1 1 1  -17    7   10 o 122.5788 1.485946  171.6237 2.936441   180.7000 6.300000   163.7000 5.500000   125.6047 2.190153   119.5530   2.008825 6.051727 2.971893 
1 1 1  -17    7   11 o 186.1648 1.909233  397.1909 5.743043   393.0000 11.90000   401.1000 11.10000   185.2118 2.805551   187.1178   2.590285 -1.906082 3.818467 
1 1 1  -17    7   12 o 191.0052 2.046174  418.2281 6.324111   428.9000 12.50000   407.3000 12.80000   193.4757 2.821131   188.5348   2.964546 4.940964 4.092348 
1 1 1  -17    7   13 o 160.6054 1.797797  295.5556 4.673797   295.9000 9.200000   295.2000 9.500000   160.7022 2.499803   160.5085   2.584432 0.1936493 3.595595 
1 1 1  -17    7   14 o 308.2989 2.844254  1089.959 14.19930   1102.900 28.60000   1077.200 28.20000   310.1156 4.027004   306.4822   4.017756 3.633423 5.688509 
1 1 1  -17    7   15 o 69.96942 1.614748  55.96389 1.731945   56.80000 4.300000   55.40000 2.900000   70.39721 2.667182   69.54163   1.820928 0.8555832 3.229496 
1 1 1  -17    7   16 o 89.34306 1.770397  91.61765 2.534314   93.00000 4.700000   90.00000 5.500000   90.08322 2.278209   88.60290   2.710532 1.480324 3.540794 
1 1 1  -17    7   17 o 85.66191 1.641509  84.18242 2.274725   87.10000 4.500000   81.20000 4.600000   87.16677 2.254246   84.15706   2.386750 3.009712 3.283017 
1 1 1  -17    7   18 o 72.71578 1.486132  60.51571 1.744286   58.30000 3.300000   63.00000 3.700000   71.31016 2.020702   74.12141   2.179705 -2.811249 2.972264 
1 1 1  -17    7   19 o 112.8274 1.644816  146.2817 2.996667   142.2000 6.200000   150.1000 5.800000   111.2895 2.432636   114.3653   2.214489 -3.075745 3.289632 
1 1 1  -17    7   20 o 42.91647 2.375626  21.15454 1.636364   20.20000 3.000000   22.30000 3.600000   41.87520 3.128269   43.95773   3.576077 -2.082527 4.751252 
1 1 1  -17    7   21 o 61.00944 2.099111  42.73856 2.060241   46.10000 4.500000   39.90000 3.800000   63.18927 3.109631   58.82961   2.820508 4.359657 4.198222 
1 1 1  -17    7   22 o 45.92405 2.627870  24.57692 1.948718   23.50000 4.000000   25.60000 3.800000   44.90675 3.889449   46.94134   3.534824 -2.034588 5.255739 
1 1 1  -17    7   23 o 69.84099 1.686291  56.49737 1.898684   60.10000 3.700000   52.70000 3.900000   72.17020 2.238636   67.51177   2.522463 4.658432 3.372582 
1 1 1  -17    7   24 o 39.89944 2.862045  18.88784 1.844595   17.80000 3.500000   20.10000 3.900000   38.72407 3.946633   41.07480   4.145996 -2.350735 5.724089 
1 1 1  -17    7   25 o 81.10802 1.827598  76.70416 2.383333   72.90000 4.400000   81.20000 5.200000   79.02280 2.431308   83.19324   2.729323 -4.170448 3.655197 
1 1 1  -17    7   26 o 22.15133 5.206388  7.130337 2.224719   8.900000 4.500000   5.400000 4.400000   24.47560 7.399893   19.82706   7.325811 4.648535 10.41278 
1 1 1  -17    7   27 o 15.53553 4.360488  2.339130 1.695652  0.7000000 3.900000   3.600000 3.000000   14.31409 6.260707   16.75698   6.071160 -2.442890 8.720977 
1 1 1  -17    9    1 o 182.7176 2.408921  382.6320 6.811388   384.1000 16.50000   381.6000 11.60000   182.9709 3.937690   182.4642   2.776003 0.5066986 4.817842 
1 1 1  -17    9    2 o 146.8309 1.903066  247.0409 4.524862   248.7000 9.100000   245.4000 9.000000   147.3210 2.697221   146.3408   2.685449 0.9801941 3.806131 
1 1 1  -17    9    3 o 84.12898 1.670785  80.70000 2.252747   76.60000 4.100000   85.70000 5.000000   81.77168 2.189378   86.48628   2.524425 -4.714607 3.341571 
1 1 1  -17    9    4 o 66.79314 2.263732  50.89796 2.433674   47.50000 4.500000   54.90000 5.300000   64.37939 3.052146   69.20688   3.344000 -4.827484 4.527464 
1 1 1  -17    9    5 o 264.2796 2.535348  800.6475 10.84793   804.5000 22.00000   796.9000 21.40000   264.9032 3.626395   263.6561   3.544179 1.247131 5.070695 
1 1 1  -17    9    6 o 334.1890 3.025653  1280.401 16.36397   1310.000 33.60000   1252.300 31.90000   337.9440 4.341444   330.4340   4.215466 7.509979 6.051305 
1 1 1  -17    9    7 o 247.4755 2.450560  702.2592 9.763265   699.5000 20.80000   704.7000 18.40000   246.9993 3.677116   247.9518   3.240338 -0.9524689 4.901120 
1 1 1  -17    9    8 o 77.03320 1.583226  67.97848 1.974684   69.70000 4.000000   66.30000 3.900000   77.99626 2.239370   76.07015   2.238670 1.926109 3.166453 
1 1 1  -17    9    9 o 55.98023 2.486317  36.03034 2.177528   36.50000 3.800000   35.40000 5.100000   56.42348 2.940786   55.53698   4.009845 0.8865013 4.972633 
1 1 1  -17    9   10 o 132.9284 1.848721  202.4509 3.962264   200.8000 7.500000   204.3000 8.400000   132.3615 2.474226   133.4953   2.747597 -1.133865 3.697443 
1 1 1  -17    9   11 o 72.29855 1.836497  59.27558 2.108140   54.50000 3.700000   65.60000 4.900000   68.95792 2.342919   75.63919   2.828713 -6.681267 3.672994 
1 1 1  -17    9   12 o 135.5595 1.753786  210.5961 3.847403   214.7000 7.900000   206.7000 7.500000   136.8437 2.520822   134.2754   2.438959 2.568237 3.507572 
1 1 1  -17    9   13 o 107.7933 1.748335  133.2582 3.046721   133.0000 6.300000   133.5000 5.900000   107.6868 2.554571   107.8999   2.387650 -0.2131577 3.496670 
1 1 1  -17    9   14 o 85.36581 1.736281  83.58750 2.398958   84.20000 4.900000   83.00000 4.700000   85.66943 2.497525   85.06219   2.412687 0.6072388 3.472563 
1 1 1  -17    9   15 o 54.52926 1.840186  34.14000 1.624615   34.80000 3.300000   33.50000 3.200000   55.04732 2.617685   54.01120   2.587056 1.036125 3.680372 
1 1 1  -17    9   16 o 23.79892 4.403324  6.862319 1.724638   6.000000 3.500000   7.700000 3.400000   22.39425 6.464559   25.20359   5.980511 -2.809345 8.806647 
1 1 1  -17    9   17 o 37.45001 3.174785  16.24545 1.922078   14.90000 3.700000   17.70000 4.000000   35.83676 4.508299   39.06327   4.471272 -3.226509 6.349570 
1 1 1  -17    9   18 o 53.50948 1.960792  32.91177 1.694118   30.70000 3.200000   35.40000 3.600000   51.61309 2.707259   55.40586   2.837177 -3.792774 3.921585 
1 1 1  -17    9   19 o 14.08620 3.732116  1.800000 1.147826   1.800000 2.200000   1.800000 2.400000   13.91935 5.172743   14.25305   5.381217 -0.3337049 7.464232 
1 1 1  -17    9   20 o 51.17855 2.243057  30.51351 1.848649   32.80000 3.600000   28.10000 3.800000   53.20251 2.954677   49.15459   3.375664 4.047928 4.486115 
1 1 1  -17    9   21 o 62.81492 2.014685  45.74878 2.039024   43.20000 3.800000   48.70000 4.400000   60.97717 2.721173   64.65268   2.971706 -3.675514 4.029369 
1 1 1  -17    9   22 o 24.59647 4.123898  7.159702 1.567164   4.100000 2.500000   12.30000 4.200000   18.16039 5.521154   31.03255   6.127233 -12.87216 8.247795 
1 1 1  -17    9   23 o 26.56425 4.478290  9.586843 1.898684   9.100000 3.700000   10.10000 3.900000   25.87464 6.302434   27.25386   6.363933 -1.379227 8.956579 
1 1 1  -17    9   24 o 12.51455 3.751135 -1.106250 1.575000  -6.000000 3.600000   2.700000 2.800000   9.678943 4.748463   15.35015   5.808282 -5.671207 7.502269 
1 1 1  -17    9   25 o 22.92850 4.154702  7.338709 1.548387   7.700000 3.200000   7.000000 3.000000   23.43452 5.951382   22.42248   5.798901 1.012045 8.309403 
1 1 1  -17   11    1 o 14.48729 4.457545 -0.8012658 1.972152  -2.100000 3.800000  0.6000000 4.100000   13.02365 5.903056   15.95093   6.680777 -2.927272 8.915091 
1 1 1  -17   11    2 o 77.29433 1.879818  68.58936 2.340425   69.60000 5.000000   67.70000 4.400000   77.81406 2.805767   76.77460   2.502504 1.039467 3.759635 
1 1 1  -17   11    3 o 29.36339 3.918678  11.20411 1.821918   18.30000 3.500000   3.500000 3.800000   39.84019 3.836068   18.88659   6.834378 20.95360 7.837356 
1 1 1  -17   11    4 o 70.72000 2.099379  57.48750 2.390625   57.30000 4.500000   57.70000 5.100000   70.61431 2.782656   70.82570   3.144264 -0.2113876 4.198758 
1 1 1  -17   11    5 o 61.39176 2.187748  43.34023 2.174713   42.50000 4.300000   44.20000 4.400000   60.79028 3.088688   61.99325   3.099189 -1.202972 4.375496 
1 1 1  -17   11    6 o 62.08680 2.139177  43.96000 2.040000   42.40000 3.400000   46.30000 5.100000   60.76687 2.443159   63.40673   3.512162 -2.639854 4.278353 
1 1 1  -17   11    7 o 25.12340 4.468098  7.630137 1.783562   7.800000 3.100000   7.400000 4.200000   25.44194 5.482177   24.80486   7.057005 0.6370811 8.936195 
1 1 1  -17   11    8 o 50.62162 2.292469  29.50000 1.866667   29.50000 4.000000   29.50000 3.500000   50.60362 3.451581   50.63961   3.017987 -0.3598785E-01 4.584938 
1 1 1  -17   11    9 o 21.25105 4.336004  5.390476 1.571429   5.600000 3.300000   5.200000 3.000000   21.64912 6.285158   20.85297   5.974991 0.7961426 8.672009 
1 1 1  -17   11   10 o 24.30110 3.389929  7.100000 1.300000   9.100000 2.600000   5.100000 2.600000   28.04951 4.047508   20.55268   5.439133 7.496838 6.779859 
1 1 1  -17   11   11 o 96.33960 2.997245  108.7028 4.028248   103.7000 11.50000   111.4000 6.200000   94.28953 5.325668   98.38968   2.751578 -4.100151 5.994491 
1 1 1  -17   11   12 o 78.84494 2.390680  71.36066 3.009836   76.60000 6.800000   67.20000 5.400000   81.36710 3.649218   76.32278   3.089437 5.044319 4.781361 
1 1 1  -17   11   13 o 44.64114 3.075813  23.13636 2.144318   23.60000 5.100000   22.80000 3.700000   44.91708 4.957907   44.36520   3.641657 0.5518799 6.151627 
1 1 1  -17   11   14 o 29.54929 5.392794  10.58679 2.573585   15.50000 6.200000   7.100000 4.400000   35.02479 7.915809   24.07380   7.325905 10.95099 10.78559 
1 1 1  -17   11   15 o 100.4541 2.370331  116.3676 3.342567   120.3000 9.700000   114.3000 5.100000   101.3288 4.180023   99.57937   2.236354 1.749405 4.740662 
1 1 1  -17   11   16 o 33.03556 4.677752  13.98105 2.258947   11.60000 5.800000   15.50000 3.700000   29.81969 8.225754   36.25142   4.456730 -6.431734 9.355505 
1 1 1  -17   11   17 o 16.17911 4.395017  1.128571 1.885714   4.600000 3.300000  -3.500000 4.400000   19.45252 6.398519   12.90571   6.026911 6.546817 8.790034 
1 1 1  -17   11   18 o 43.71602 2.471311  22.72941 1.647059   23.80000 2.800000   21.20000 4.000000   45.21657 2.703959   42.21547   4.137405 3.001099 4.942622 
1 1 1  -17   11   19 o 38.65960 2.582494  17.95000 1.600000   20.80000 3.200000   15.10000 3.200000   41.87865 3.336545   35.44056   3.942658 6.438091 5.164987 
1 1 1  -17   11   20 o 18.74466 4.422884  4.585714 1.571429   4.300000 3.000000   4.900000 3.300000   18.23003 6.104692   19.25930   6.401589 -1.029272 8.845768 
1 1 1  -17   11   21 o 18.48386 4.018894  4.552631 1.403509   6.000000 2.500000   2.700000 3.200000   21.23856 5.185084   15.72915   6.141737 5.509404 8.037787 
1 1 1  -17   11   22 o 28.59321 3.751984  10.91791 1.665672   9.900000 3.100000   12.10000 3.600000   27.24132 5.157910   29.94510   5.450274 -2.703779 7.503967 
1 1 1  -17   13    1 o 18.15080 4.413016  2.900000 1.714286   7.300000 4.000000 -0.4000000 3.000000   23.81152 6.921686   12.49009   5.476231 11.32144 8.826032 
1 1 1  -17   13    2 o 18.78341 4.320366  4.234426 1.521312   4.900000 2.900000   3.500000 3.200000   19.84996 5.926774   17.71686   6.287734 2.133097 8.640732 
1 1 1  -17   13    3 o 65.14267 1.996588  49.20476 2.080952   48.30000 3.800000   50.30000 4.600000   64.56150 2.570098   65.72383   3.056150 -1.162331 3.993176 
1 1 1  -17   13    4 o 39.21819 2.794873  18.09718 1.774648   18.30000 3.600000   17.90000 3.500000   39.42558 3.987164   39.01080   3.917625 0.4147797 5.589746 
1 1 1  -17   13    5 o 54.20534 2.654207  34.46774 2.322581   30.50000 4.500000   38.70000 4.800000   50.94584 3.856946   57.46485   3.647361 -6.519012 5.308415 
1 1 1  -17   13    6 o 17.71702 4.619920  3.240000 1.737143   2.600000 3.200000   4.000000 3.800000   16.43822 6.211890   18.99581   6.840108 -2.557589 9.239841 
1 1 1  -17   13    7 o 16.39206 4.411747  2.492308 1.615385   1.800000 3.000000   3.300000 3.500000   15.05348 5.926223   17.73064   6.537120 -2.677161 8.823494 
1 1 1  -17   13    8 o 16.89864 4.492314  2.786567 1.665672   2.000000 3.100000   3.700000 3.600000   15.44698 6.041292   18.35030   6.650288 -2.903322 8.984628 
1 1 1  -17   13    9 o 16.54204 4.485958  2.127397 1.797260   4.100000 3.200000 -0.4000000 4.100000   18.56284 6.304460   14.52123   6.383499 4.041605 8.971916 
1 1 1  -17   13   10 o 24.36984 4.146217  7.587692 1.621538   6.300000 3.100000   9.000000 3.400000   22.15404 5.973675   26.58564   5.751492 -4.431601 8.292434 
1 1 1  -17   13   11 o 18.44626 4.733785  3.628000 1.872000   1.900000 3.600000   5.500000 3.900000   15.93900 6.419283   20.95352   6.958999 -5.014512 9.467569 
1 1 1  -17   13   12 o 19.50146 4.103768  3.683562 1.816438  -2.300000 3.900000   8.900000 3.400000   12.62749 5.819396   26.37542   5.787770 -13.74792 8.207536 
1 1 1  -17   13   13 o 24.57890 4.165102  8.011111 1.798611   3.900000 3.700000   11.90000 3.500000   18.15058 6.715566   31.00722   4.928843 -12.85664 8.330205 
1 1 1  -17   13   14 o 28.19448 4.351325  10.61538 1.938461   7.800000 3.600000   13.90000 4.200000   23.88348 6.436337   32.50548   5.857448 -8.622005 8.702650 
1 1 1  -17   13   15 o 36.58459 3.991636  18.20465 2.148837   24.70000 4.200000   11.40000 4.400000   44.84029 4.089975   28.32889   6.856000 16.51139 7.983272 
1 1 1  -17   13   16 o 16.86681 4.935810  2.739773 2.189773   2.600000 4.100000   2.900000 4.700000   16.45750 6.767038   17.27612   7.187217 -0.8186207 9.871620 
1 1 1  -17   13   17 o 21.49298 4.909636  6.354430 1.883544   4.000000 3.100000   10.00000 4.800000   17.42995 6.188409   25.55600   7.623760 -8.126055 9.819273 
1 1 1  -17   13   18 f 19.76044 4.299114  5.677049 1.521312   5.100000 3.200000   6.200000 2.900000   18.73070 6.304738   20.79019   5.846351 -2.059492 8.598228 
1 1 1  -17   15    1 f 16.68723 4.060038  2.051515 1.612121  -2.700000 2.800000   8.500000 3.800000   9.632972 4.590498   23.74149   6.697981 -14.10851 8.120075 
1 1 1  -17   15    2 o 14.54163 4.436609 0.1470588 2.101177  -4.000000 4.700000   3.500000 3.800000   12.25150 5.867960   16.83175   6.655902 -4.580250 8.873218 
1 1 1  -17   15    3 o 18.55721 4.399232  4.004938 1.935802  -1.500000 4.900000   7.600000 3.200000   13.91273 6.450605   23.20168   5.983534 -9.288944 8.798465 
1 1 1  -17   15    4 o 21.22254 4.649316  6.150704 1.588732   4.900000 2.400000   8.600000 4.700000   18.98159 5.311767   23.46349   7.632148 -4.481897 9.298632 
1 1 1  -17   15    5 o 15.17031 4.463840  1.166667 1.948718  -2.000000 3.800000   4.500000 4.000000   12.05603 5.620313   18.28458   6.936537 -6.228551 8.927680 
1 1 1  -17   15    6 o 15.43439 4.359705  2.105556 1.765278   4.000000 3.100000 -0.4000000 4.100000   17.27805 6.182644   13.59074   6.148416 3.687318 8.719410 
1 1 1  -17   15    7 o 13.11160 4.126012 0.1861111 1.661111  0.8000000 2.600000 -0.9000000 4.600000   12.36915 5.257149   13.85405   6.360683 -1.484900 8.252025 
1 1 1  -17   15    8 o 16.18628 4.636865  2.677215 1.974684  0.5000000 4.000000   4.800000 3.900000   14.00616 6.223908   18.36640   6.874958 -4.360238 9.273730 
1 1 1  -17   15    9 o 15.68494 4.455330  2.272973 1.848649   5.200000 3.800000 -0.5000000 3.600000   18.76565 6.827663   12.60423   5.725633 6.161421 8.910660 
1 1 1  -16    0    1 o 223.7972 2.869216  573.9000 14.70000   573.9000 14.70000   573.9000 14.70000   223.7972 2.869216   223.7972   2.869216 0.000000 0.000000 
1 1 1  -16    0    2 o 487.1738 5.504895  2720.600 61.40000   2720.600 61.40000   2720.600 61.40000   487.1738 5.504895   487.1738   5.504895 -0.000000 0.000000 
1 1 1  -16    0    3 o 587.5950 9.175199  3963.500 123.4000   3963.500 123.4000   3963.500 123.4000   587.5950 9.175199   587.5950   9.175199 0.000000 0.000000 
1 1 1  -16    0    4 o 124.5076 1.543643  177.6000 4.400000   177.6000 4.400000   177.6000 4.400000   124.5076 1.543643   124.5076   1.543643 0.000000 0.000000 
1 1 1  -16    0    5 o 225.8829 2.765280  584.6000 14.30000   584.6000 14.30000   584.6000 14.30000   225.8829 2.765280   225.8829   2.765280 0.000000 0.000000 
1 1 1  -16    0    6 o 9.917985 3.024354  1.400000 0.6000000   1.400000 0.6000000   1.400000 0.6000000   9.917985 3.024354   9.917985   3.024354 -0.000000 0.000000 
1 1 1  -16    0    7 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -16    0    8 o 361.4050 4.484046  1497.000 37.10000   1497.000 37.10000   1497.000 37.10000   361.4050 4.484046   361.4050   4.484046 0.000000 0.000000 
1 1 1  -16    0    9 o 320.6382 3.937040  1178.200 28.90000   1178.200 28.90000   1178.200 28.90000   320.6382 3.937040   320.6382   3.937040 0.000000 0.000000 
1 1 1  -16    0   10 o 179.4904 2.604284  369.2000 10.70000   369.2000 10.70000   369.2000 10.70000   179.4904 2.604284   179.4904   2.604284 -0.000000 0.000000 
1 1 1  -16    0   11 o 379.3645 4.536481  1649.400 39.40000   1649.400 39.40000   1649.400 39.40000   379.3645 4.536481   379.3645   4.536481 0.000000 0.000000 
1 1 1  -16    0   12 o 260.8406 3.232005  779.6000 19.30000   779.6000 19.30000   779.6000 19.30000   260.8406 3.232005   260.8406   3.232005 -0.000000 0.000000 
1 1 1  -16    0   13 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -16    0   14 o 373.0570 4.496119  1595.000 38.40000   1595.000 38.40000   1595.000 38.40000   373.0570 4.496119   373.0570   4.496119 0.000000 0.000000 
1 1 1  -16    0   15 o 474.7724 5.602834  2583.500 60.90000   2583.500 60.90000   2583.500 60.90000   474.7724 5.602834   474.7724   5.602834 0.000000 0.000000 
1 1 1  -16    0   16 o 5.899651 4.110674 -1.900000 2.000000  -1.900000 2.000000  -1.900000 2.000000   5.899651 4.110674   5.899651   4.110674 -0.000000 0.000000 
1 1 1  -16    0   17 o 232.3515 2.876309  618.6000 15.30000   618.6000 15.30000   618.6000 15.30000   232.3515 2.876309   232.3515   2.876309 -0.000000 0.000000 
1 1 1  -16    0   18 f 42.23249 2.820493  20.70000 2.700000   20.70000 2.700000   20.70000 2.700000   42.23249 2.820493   42.23249   2.820493 0.000000 0.000000 
1 1 1  -16    0   19 o 48.57701 2.808045  27.30000 3.100000   27.30000 3.100000   27.30000 3.100000   48.57701 2.808045   48.57701   2.808045 -0.000000 0.000000 
1 1 1  -16    0   20 o 566.8161 9.373438  3696.700 121.6000   3696.700 121.6000   3696.700 121.6000   566.8161 9.373438   566.8161   9.373438 0.000000 0.000000 
1 1 1  -16    0   21 o 25.83272 6.847460  9.100000 3.500000   9.100000 3.500000   9.100000 3.500000   25.83272 6.847460   25.83272   6.847460 -0.000000 0.000000 
1 1 1  -16    0   22 o 265.6983 3.518328  810.0000 21.40000   810.0000 21.40000   810.0000 21.40000   265.6983 3.518328   265.6983   3.518328 -0.000000 0.000000 
1 1 1  -16    0   23 o 48.21803 2.644382  26.90000 2.900000   26.90000 2.900000   26.90000 2.900000   48.21803 2.644382   48.21803   2.644382 0.000000 0.000000 
1 1 1  -16    0   24 o 98.57423 2.217393  111.6000 5.000000   111.6000 5.000000   111.6000 5.000000   98.57423 2.217393   98.57423   2.217393 0.000000 0.000000 
1 1 1  -16    0   25 o 9.353772 5.811092 0.7000000 2.500000  0.7000000 2.500000  0.7000000 2.500000   9.353772 5.811092   9.353772   5.811092 -0.000000 0.000000 
1 1 1  -16    0   26 o 76.46582 2.633904  67.50000 4.600000   67.50000 4.600000   67.50000 4.600000   76.46582 2.633904   76.46582   2.633904 -0.000000 0.000000 
1 1 1  -16    0   27 f 55.28450 3.183492  35.70000 4.000000   35.70000 4.000000   35.70000 4.000000   55.28450 3.183492   55.28450   3.183492 -0.000000 0.000000 
1 1 1  -16    0   28 o 60.29663 3.207118  42.60000 4.400000   42.60000 4.400000   42.60000 4.400000   60.29663 3.207118   60.29663   3.207118 -0.000000 0.000000 
1 1 1  -16    0   29 o 19.56903 7.385187  6.400000 3.100000   6.400000 3.100000   6.400000 3.100000   19.56903 7.385187   19.56903   7.385187 0.000000 0.000000 
1 1 1  -16    0   30 o 14.28792 8.758141  3.600000 5.500000   3.600000 5.500000   3.600000 5.500000   14.28792 8.758141   14.28792   8.758141 0.000000 0.000000 
1 1 1  -16    2    1 o 448.2435 3.764464  2303.851 27.32479   2321.900 54.80000   2285.900 54.50000   449.9952 5.317559   446.4917   5.329946 3.503571 7.528928 
1 1 1  -16    2    2 o 244.4061 2.141501  683.4094 8.453688   663.7000 16.10000   705.2000 17.80000   240.7042 2.920666   248.1080   3.132700 -7.403824 4.283001 
1 1 1  -16    2    3 o 284.2190 2.406345  925.3926 11.07223   918.7000 21.80000   932.3000 22.50000   283.1767 3.361543   285.2613   3.444129 -2.084564 4.812691 
1 1 1  -16    2    4 f 294.2084 2.535035  991.6006 12.06625   997.3000 24.80000   986.2000 23.50000   295.0274 3.670532   293.3894   3.497544 1.638000 5.070071 
1 1 1  -16    2    5 o 94.20290 1.049221  101.6500 1.600000   104.8000 3.200000   98.50000 3.200000   95.66301 1.460648   92.74278   1.506640 2.920227 2.098442 
1 1 1  -16    2    6 o 405.1496 3.349463  1881.565 21.97474   1877.100 44.10000   1886.000 43.80000   404.6685 4.758596   405.6307   4.715014 -0.9621277 6.698925 
1 1 1  -16    2    7 f 137.9336 1.455727  217.9031 3.246923   218.0000 6.300000   217.8000 6.700000   137.9661 1.993921   137.9011   2.121519 0.6500244E-01 2.911454 
1 1 1  -16    2    8 o 198.0594 1.847334  449.2607 5.924051   438.4000 11.70000   460.4000 12.00000   195.6351 2.611432   200.4837   2.613616 -4.848587 3.694667 
1 1 1  -16    2    9 f 436.9097 3.692816  2188.947 26.12440   2209.100 52.00000   2168.600 52.50000   438.9363 5.172988   434.8830   5.271408 4.053375 7.385631 
1 1 1  -16    2   10 o 219.2152 2.091511  550.3353 7.422896   537.8000 14.60000   563.3000 15.10000   216.6769 2.942253   221.7534   2.973352 -5.076538 4.183022 
1 1 1  -16    2   11 o 450.1948 3.720325  2321.462 27.08995   2253.400 52.30000   2394.600 56.20000   443.3659 5.150852   457.0237   5.369543 -13.65778 7.440650 
1 1 1  -16    2   12 o 444.0901 3.896991  2261.745 28.02498   2267.200 56.10000   2256.300 56.00000   444.6253 5.509452   443.5548   5.512904 1.070496 7.793983 
1 1 1  -16    2   13 f 363.3985 3.213591  1508.015 18.75595   1444.400 34.50000   1583.800 41.10000   355.0473 4.242996   371.7498   4.827594 -16.70251 6.427183 
1 1 1  -16    2   14 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -16    2   15 o 640.7451 7.550998  4721.006 78.26180   4738.900 161.1000   4704.100 152.2000   641.8521 10.95974   639.6381   10.39011 2.213989 15.10200 
1 1 1  -16    2   16 o 57.96369 1.684782  37.60645 1.419355   35.30000 2.200000   41.80000 4.000000   55.51933 1.730287   60.40805   2.891378 -4.888721 3.369564 
1 1 1  -16    2   17 f 268.2474 2.826718  819.9608 10.84557   808.3000 16.80000   841.2000 30.60000   265.6326 2.761643   270.8622   4.933019 -5.229553 5.653437 
1 1 1  -16    2   18 o 129.2734 1.784992  191.8483 3.413793   193.1000 5.500000   189.8000 9.000000   129.8442 1.849609   128.7025   3.053480 1.141632 3.569985 
1 1 1  -16    2   19 o 97.97948 1.682381  109.1755 2.573585   104.9000 4.400000   115.2000 6.200000   95.69376 2.007746   100.2652   2.700108 -4.571434 3.364763 
1 1 1  -16    2   20 o 33.66042 2.454188  13.05660 1.313208   13.60000 2.400000   12.40000 2.900000   34.44340 3.042601   32.87743   3.851588 1.565964 4.908375 
1 1 1  -16    2   21 o 185.6608 2.045635  390.3273 5.702479   373.6000 9.200000   417.6000 15.00000   180.5504 2.224996   190.7713   3.433348 -10.22098 4.091269 
1 1 1  -16    2   22 o 149.1500 1.805734  257.3329 4.099412   266.1000 6.900000   244.5000 10.10000   152.3602 1.977504   145.9398   3.021950 6.420319 3.611468 
1 1 1  -16    2   23 o 128.2061 1.679882  188.7000 3.148148   188.7000 5.000000   188.7000 8.500000   128.2868 1.701875   128.1255   2.896831 0.1613770 3.359763 
1 1 1  -16    2   24 o 40.70438 2.311857  18.97869 1.514754   16.50000 2.800000   21.90000 3.300000   37.83128 3.231817   43.57748   3.306675 -5.746208 4.623715 
1 1 1  -16    2   25 o 37.07584 2.453057  16.27544 1.424561   20.50000 2.800000   11.90000 2.900000   42.14694 2.900892   32.00474   3.956611 10.14220 4.906114 
1 1 1  -16    2   26 o 15.32544 4.326193 0.8090909 1.431818  -1.100000 2.100000   4.900000 4.500000   9.700023 4.393186   20.95085   7.454105 -11.25083 8.652386 
1 1 1  -16    2   27 o 71.36821 2.078681  59.22747 2.010989   58.70000 3.000000   60.30000 6.100000   71.31835 1.836791   71.41808   3.729592 -0.9972382E-01 4.157362 
1 1 1  -16    2   28 o 49.13880 2.764222  28.24353 1.877647   26.30000 2.800000   32.20000 5.700000   47.36741 2.581179   50.91019   4.888885 -3.542774 5.528443 
1 1 1  -16    2   29 o 29.36274 3.731129  11.12464 1.681159   10.20000 2.900000   12.40000 4.000000   28.57355 4.431733   30.15192   6.003753 -1.578377 7.462259 
1 1 1  -16    2   30 o 23.24747 4.444457  7.707246 1.681159   5.900000 2.900000   10.20000 4.000000   20.32216 5.889641   26.17278   6.657695 -5.850613 8.888913 
1 1 1  -16    4    1 o 128.5310 1.454473  189.1835 3.019835   188.8000 5.800000   189.6000 6.300000   128.3960 1.972496   128.6660   2.138043 -0.2699738 2.908947 
1 1 1  -16    4    2 o 337.2994 2.856282  1303.718 15.59984   1278.300 31.10000   1329.300 31.30000   333.9991 4.065883   340.5998   4.012727 -6.600739 5.712564 
1 1 1  -16    4    3 o 427.8714 3.554102  2098.667 24.62477   2071.600 49.10000   2125.900 49.40000   425.1021 5.043453   430.6407   5.009007 -5.538574 7.108204 
1 1 1  -16    4    4 o 268.5379 2.385798  825.9268 10.37012   838.8000 21.20000   813.6000 20.30000   270.5838 3.421164   266.4920   3.326225 4.091797 4.771596 
1 1 1  -16    4    5 o 192.0475 1.793563  422.6094 5.574888   409.3000 11.20000   435.8000 11.10000   189.0347 2.587118   195.0604   2.484812 -6.025772 3.587126 
1 1 1  -16    4    6 o 232.7126 2.104630  619.4331 7.890221   635.8000 16.90000   605.1000 14.80000   235.5868 3.132387   229.8384   2.811764 5.748413 4.209260 
1 1 1  -16    4    7 o 181.0881 1.756496  375.5942 5.148058   375.3000 10.10000   375.9000 10.50000   181.0167 2.436365   181.1595   2.530858 -0.1428070 3.512993 
1 1 1  -16    4    8 o 366.6288 3.221397  1540.319 19.12340   1576.800 38.60000   1504.500 37.90000   370.9315 4.543948   362.3260   4.567509 8.605408 6.442794 
1 1 1  -16    4    9 o 229.4775 2.133219  603.2710 7.921136   602.3000 16.20000   604.2000 15.50000   229.2946 3.085041   229.6605   2.947034 -0.3658905 4.266438 
1 1 1  -16    4   10 o 93.33856 1.272713  99.38312 1.916883   90.50000 3.600000   109.5000 4.100000   88.89517 1.768333   97.78196   1.830901 -8.886787 2.545427 
1 1 1  -16    4   11 o 392.9546 3.398457  1769.829 21.62474   1761.500 43.40000   1778.100 43.10000   392.0310 4.834027   393.8782   4.778098 -1.847168 6.796914 
1 1 1  -16    4   12 o 313.0242 3.429564  1114.252 16.19561   1162.900 41.90000   1083.600 26.40000   318.4995 5.744404   307.5488   3.748259 10.95071 6.859127 
1 1 1  -16    4   13 o 67.15686 1.241847  51.63333 1.348148   51.20000 2.600000   52.10000 2.800000   66.86456 1.697919   67.44917   1.812680 -0.5846024 2.483695 
1 1 1  -16    4   14 o 299.8762 3.963595  1031.893 19.22237   1073.500 38.00000   989.3000 38.90000   306.0107 5.422339   293.7416   5.782610 12.26913 7.927190 
1 1 1  -16    4   15 o 133.2558 1.529207  203.3349 3.299242   207.7000 6.700000   199.1000 6.500000   134.6643 2.172511   131.8472   2.152694 2.817139 3.058413 
1 1 1  -16    4   16 o 204.9134 2.058257  478.4597 6.747985   453.3000 12.20000   509.6000 15.10000   198.9252 2.677995   210.9015   3.126345 -11.97633 4.116515 
1 1 1  -16    4   17 o 45.33630 1.738163  23.56079 1.274510   23.00000 2.600000   24.10000 2.500000   44.80613 2.533819   45.86646   2.380042 -1.060322 3.476325 
1 1 1  -16    4   18 o 152.6723 1.799765  266.7388 4.441011   258.0000 8.500000   276.3000 9.300000   150.0597 2.473401   155.2849   2.615131 -5.225220 3.599531 
1 1 1  -16    4   19 f 271.0707 3.576104  842.9000 22.20000   842.9000 22.20000          ?        ?   271.0707 3.576104          ?          ?       ?       ? 
1 1 1  -16    4   20 o 120.1227 1.588548  164.9488 3.029268   169.1000 6.900000   161.7000 5.400000   121.4543 2.480709   118.7911   1.984950 2.663261 3.177097 
1 1 1  -16    4   21 o 162.4988 1.871530  302.8873 4.923858   295.6000 9.700000   310.4000 10.00000   160.5151 2.638733   164.4824   2.654729 -3.967300 3.743060 
1 1 1  -16    4   22 o 67.49332 1.988166  52.48000 2.040000   53.00000 3.400000   51.70000 5.100000   67.96008 2.184564   67.02657   3.322484 0.9335098 3.976332 
1 1 1  -16    4   23 o 51.81673 1.930410  31.10635 1.507936   31.90000 2.500000   29.90000 3.800000   52.70819 2.071103   50.92527   3.258292 1.782925 3.860820 
1 1 1  -16    4   24 o 53.43296 2.238749  31.90000 1.710526   29.30000 2.600000   36.90000 5.000000   50.47169 2.249392   56.39424   3.871462 -5.922550 4.477498 
1 1 1  -16    4   25 o 32.01298 3.835752  14.74615 1.421538   18.30000 2.100000   7.300000 4.400000   39.83558 2.301907   24.19037   7.318006 15.64521 7.671505 
1 1 1  -16    4   26 o 37.51083 2.365417  16.91818 1.338182   18.80000 2.300000   14.30000 3.200000   40.26048 2.494529   34.76117   4.019715 5.499306 4.730833 
1 1 1  -16    4   27 o 63.73054 1.908013  47.82078 1.870130   49.40000 3.200000   45.60000 4.500000   65.24960 2.141469   62.21148   3.158506 3.038113 3.816025 
1 1 1  -16    4   28 o 23.14564 4.706636  7.500000 1.781818   7.500000 2.800000   7.500000 4.900000   23.79922 5.275799   22.49205   7.795874 1.307175 9.413273 
1 1 1  -16    4   29 o 14.70499 4.306430 0.6875000 1.875000   3.500000 3.000000  -4.000000 5.000000   16.58227 6.061462   12.82772   6.118827 3.754542 8.612861 
1 1 1  -16    6    1 o 374.5823 3.210332  1606.992 19.46085   1649.200 40.00000   1567.000 37.90000   379.3660 4.604064   369.7986   4.475213 9.567413 6.420664 
1 1 1  -16    6    2 o 600.5908 6.943276  4136.700 95.50000   4136.700 95.50000          ?        ?   600.5908 6.943276          ?          ?       ?       ? 
1 1 1  -16    6    3 o 201.4925 2.360469  468.4960 7.436304   442.1000 17.20000   488.6000 13.10000   196.4442 3.823218   206.5408   2.769523 -10.09668 4.720938 
1 1 1  -16    6    4 o 290.1974 2.955063  965.2931 13.41129   962.3000 31.60000   967.5000 23.30000   289.7801 4.761658   290.6147   3.500886 -0.8345947 5.910126 
1 1 1  -16    6    5 f 122.3323 1.685413  172.4015 3.262879   163.0000 7.300000   180.0000 5.900000   119.2957 2.672007   125.3688   2.054955 -6.073021 3.370825 
1 1 1  -16    6    6 o 281.0660 3.030737  909.1672 13.25783   930.6000 23.00000   880.0000 31.30000   285.0217 3.523625   277.1104   4.932092 7.911224 6.061473 
1 1 1  -16    6    7 o 77.59517 1.155200  69.00000 1.450000   72.70000 2.900000   65.30000 2.900000   79.67728 1.589290   75.51305   1.676933 4.164238 2.310400 
1 1 1  -16    6    8 o 447.9478 3.735411  2298.102 27.07638   2404.400 55.80000   2197.900 52.60000   457.9991 5.319972   437.8965   5.245102 20.10257 7.470823 
1 1 1  -16    6    9 o 279.4673 2.568136  893.2512 11.59656   934.6000 24.40000   855.8000 22.10000   285.6165 3.730321   273.3182   3.530722 12.29834 5.136272 
1 1 1  -16    6   10 o 260.5084 2.459631  777.4783 10.37349   779.8000 20.50000   775.1000 21.00000   260.9037 3.430941   260.1131   3.525306 0.7906494 4.919262 
1 1 1  -16    6   11 o 334.1274 3.559345  1267.200 18.27192   1347.200 45.80000   1214.100 30.40000   342.7517 5.834794   325.5031   4.078103 17.24863 7.118690 
1 1 1  -16    6   12 o 252.2346 2.412176  729.0018 9.845939   731.5000 19.30000   726.4000 20.10000   252.6790 3.335245   251.7901   3.485757 0.8889618 4.824351 
1 1 1  -16    6   13 o 169.9123 1.771752  330.6908 4.874872   332.5000 9.800000   328.9000 9.700000   170.3746 2.511661   169.4500   2.499595 0.9245453 3.543503 
1 1 1  -16    6   14 o 112.1788 1.431196  144.0990 2.599039   141.5000 5.100000   146.8000 5.300000   111.1479 2.003589   113.2097   2.044241 -2.061768 2.862393 
1 1 1  -16    6   15 o 291.1660 2.703835  971.4086 12.74039   1016.000 26.20000   929.2000 24.80000   297.6634 3.843400   284.6685   3.804100 12.99490 5.407670 
1 1 1  -16    6   16 o 287.3782 2.594989  946.8536 12.07246   946.6000 24.50000   947.1000 23.80000   287.3350 3.723208   287.4214   3.615743 -0.8639526E-01 5.189979 
1 1 1  -16    6   17 o 201.2758 2.733498  464.4000 12.60000   464.4000 12.60000          ?        ?   201.2758 2.733498          ?          ?       ?       ? 
1 1 1  -16    6   18 o 77.41699 1.654514  68.51807 2.067470   64.90000 3.900000   72.60000 4.400000   75.25008 2.263067   79.58391   2.414166 -4.333832 3.309028 
1 1 1  -16    6   19 o 101.6265 1.474838  118.3433 2.418557   119.5000 5.100000   117.3000 4.600000   102.0931 2.181290   101.1599   1.985589 0.9332657 2.949676 
1 1 1  -16    6   20 o 46.56996 2.023018  24.74918 1.504918   23.20000 2.700000   26.70000 3.400000   44.94739 2.623004   48.19254   3.080625 -3.245144 4.046035 
1 1 1  -16    6   21 o 37.15224 2.907339  16.25000 1.700000   20.60000 3.400000   11.90000 3.400000   42.26487 3.512685   32.03961   4.633737 10.22525 5.814677 
1 1 1  -16    6   22 o 18.97869 4.907290  3.517722 1.972152   2.700000 3.800000   4.400000 4.100000   17.70190 6.749980   20.25548   7.124867 -2.553572 9.814579 
1 1 1  -16    6   23 o 23.75282 4.770453  6.968831 1.922078   7.800000 4.000000   6.200000 3.700000   25.01701 6.802439   22.48864   6.689971 2.528372 9.540907 
1 1 1  -16    6   24 o 34.69283 2.879926  14.22031 1.585938   14.90000 2.900000   13.40000 3.500000   35.72009 3.545073   33.66558   4.539643 2.054512 5.759852 
1 1 1  -16    6   25 o 66.16252 1.867093  50.94375 1.998750   51.20000 4.100000   50.70000 3.900000   66.30032 2.700275   66.02473   2.579275 0.2755890 3.734186 
1 1 1  -16    6   26 o 17.69835 4.489345  3.325352 1.771831   6.400000 3.700000  0.5000000 3.400000   21.64608 6.741024   13.75062   5.930891 7.895452 8.978689 
1 1 1  -16    6   27 o 13.93818 4.052619 0.9609374 1.585938   3.000000 2.900000  -1.500000 3.500000   15.87499 5.931134   12.00137   5.524179 3.873620 8.105239 
1 1 1  -16    6   28 o 36.18263 4.004697  18.52279 1.744304   20.30000 2.600000   14.90000 5.300000   41.25508 2.751919   31.11018   7.521791 10.14490 8.009394 
1 1 1  -16    8    1 o 79.39308 1.841380  71.67979 2.281915   68.90000 3.900000   75.60000 5.500000   77.55696 2.195753   81.22919   2.956584 -3.672234 3.682760 
1 1 1  -16    8    2 o 297.2326 3.354118  1002.395 15.08491   963.6000 24.60000   1063.900 39.00000   289.9608 3.704550   304.5044   5.592561 -14.54358 6.708236 
1 1 1  -16    8    3 o 122.0369 2.161573  169.1619 3.985119   163.9000 6.500000   177.5000 10.30000   119.6190 2.372756   124.4548   3.613809 -4.835869 4.323145 
1 1 1  -16    8    4 o 289.3632 3.447294  953.6838 15.03233   931.0000 24.50000   989.7000 38.90000   285.0228 3.753412   293.7035   5.783359 -8.680756 6.894588 
1 1 1  -16    8    5 o 147.0150 1.669963  247.3579 3.967296   253.1000 8.300000   242.1000 7.600000   148.6465 2.438166   145.3835   2.282643 3.262909 3.339927 
1 1 1  -16    8    6 f 168.6762 1.886436  326.0500 5.150000   338.4000 10.30000   313.7000 10.30000   171.8733 2.616788   165.4792   2.717901 6.394150 3.772872 
1 1 1  -16    8    7 o 224.4156 2.148274  577.2503 7.791987   583.3000 15.10000   570.8000 16.10000   225.6360 2.922189   223.1951   3.149785 2.440918 4.296549 
1 1 1  -16    8    8 f 212.0086 2.025916  515.1611 6.944245   520.6000 13.50000   509.4000 14.30000   213.1656 2.765390   210.8516   2.961412 2.313995 4.051832 
1 1 1  -16    8    9 o 208.3391 2.127746  497.1010 7.160279   490.8000 13.70000   504.0000 15.00000   206.9627 2.890469   209.7156   3.123203 -2.752930 4.255491 
1 1 1  -16    8   10 o 221.2817 2.079347  561.2000 7.450000   550.3000 14.90000   572.1000 14.90000   219.1308 2.969084   223.4326   2.911919 -4.301788 4.158694 
1 1 1  -16    8   11 o 34.03780 3.125965  13.57910 1.665672   15.80000 3.100000   11.00000 3.600000   37.12136 3.646511   30.95423   5.078344 6.167130 6.251929 
1 1 1  -16    8   12 o 118.2125 1.671705  160.1000 3.200000   161.8000 6.400000   158.4000 6.400000   118.8405 2.351556   117.5846   2.376672 1.255898 3.343409 
1 1 1  -16    8   13 o 233.4500 2.301530  624.9778 8.699713   620.1000 17.50000   629.8000 17.30000   232.5409 3.286082   234.3591   3.223324 -1.818161 4.603059 
1 1 1  -16    8   14 o 118.4234 1.592752  159.4705 2.997541   150.0000 5.300000   171.8000 6.900000   114.4167 2.022675   122.4300   2.460940 -8.013252 3.185504 
1 1 1  -16    8   15 o 43.08089 2.365901  21.29697 1.648485   21.20000 3.200000   21.40000 3.400000   42.98247 3.250860   43.17930   3.438294 -0.1968307 4.731803 
1 1 1  -16    8   16 o 121.6192 1.587967  169.5960 3.120000   169.7000 6.500000   169.5000 6.000000   121.6485 2.333170   121.5899   2.154733 0.5856323E-01 3.175934 
1 1 1  -16    8   17 o 112.8585 1.642418  146.1483 2.999167   137.2000 5.900000   155.4000 6.100000   109.3417 2.356167   116.3753   2.288804 -7.033661 3.284836 
1 1 1  -16    8   18 o 111.7310 1.561164  143.2159 2.823009   138.3000 5.500000   148.4000 5.800000   109.7648 2.187959   113.6972   2.227501 -3.932335 3.122327 
1 1 1  -16    8   19 o 149.7901 1.907189  258.1768 4.623784   256.5000 9.400000   259.8000 9.100000   149.2975 2.749254   150.2827   2.644065 -0.9851990 3.814378 
1 1 1  -16    8   20 o 73.10028 1.753889  61.31807 2.060241   58.80000 3.800000   64.30000 4.500000   71.49081 2.320989   74.70974   2.630117 -3.218925 3.507777 
1 1 1  -16    8   21 o 68.69408 1.860218  53.73012 2.038554   46.40000 3.600000   63.30000 4.700000   63.40485 2.479247   73.98332   2.773983 -10.57848 3.720436 
1 1 1  -16    8   22 o 56.06996 1.985579  36.41667 1.787500   35.50000 3.300000   37.50000 3.900000   55.35501 2.603135   56.78491   2.998965 -1.429901 3.971159 
1 1 1  -16    8   23 o 50.68089 2.253051  30.03378 1.844595   32.30000 3.900000   28.00000 3.500000   52.46811 3.245704   48.89367   3.125756 3.574436 4.506101 
1 1 1  -16    8   24 o 36.13566 2.837296  15.82121 1.648485   18.50000 3.400000   13.30000 3.200000   39.21604 3.785776   33.05527   4.227162 6.160767 5.674592 
1 1 1  -16    8   25 o 36.97027 2.456062  16.23051 1.440678   13.90000 2.500000   19.40000 3.400000   34.03948 3.206984   39.90106   3.720782 -5.861580 4.912124 
1 1 1  -16    8   26 o 16.93561 4.730650  2.244828 2.172414   6.300000 4.200000  -2.100000 4.500000   20.74128 7.215958   13.12993   6.119327 7.611350 9.461301 
1 1 1  -16   10    1 o 32.86698 3.916499  12.62222 2.000000   12.40000 3.600000   12.90000 4.500000   32.82898 4.788339   32.90499   6.199006 -0.7601166E-01 7.832998 
1 1 1  -16   10    2 o 105.9022 1.677763  128.2478 2.857391   124.1000 5.300000   133.1000 6.200000   104.0556 2.224078   107.7487   2.512576 -3.693085 3.355527 
1 1 1  -16   10    3 o 118.3465 1.958065  160.5800 3.744000   160.1000 7.200000   161.1000 7.800000   118.1686 2.660542   118.5244   2.873602 -0.3558197 3.916130 
1 1 1  -16   10    4 o 54.48630 2.887833  34.19802 2.495049   35.00000 4.500000   33.20000 5.600000   55.22474 3.558103   53.74786   4.549530 1.476875 5.775666 
1 1 1  -16   10    5 o 161.9792 1.995135  301.2024 5.222010   311.5000 10.20000   290.4000 10.70000   164.8287 2.702135   159.1298   2.936108 5.698959 3.990271 
1 1 1  -16   10    6 o 216.4130 2.190238  537.1912 7.674267   521.1000 15.20000   553.6000 15.50000   213.1380 3.114028   219.6880   3.080810 -6.550095 4.380475 
1 1 1  -16   10    7 o 175.7527 1.906411  354.2166 5.423963   353.0000 11.00000   355.4000 10.70000   175.4511 2.737640   176.0542   2.653854 -0.6031342 3.812822 
1 1 1  -16   10    8 o 79.37634 1.769945  72.20219 2.272527   70.80000 4.400000   73.70000 4.700000   78.58218 2.444941   80.17049   2.559900 -1.588303 3.539890 
1 1 1  -16   10    9 o 68.08870 1.908233  53.25238 2.098809   55.40000 4.100000   51.00000 4.300000   69.50236 2.575871   66.67505   2.816079 2.827309 3.816466 
1 1 1  -16   10   10 o 67.46733 1.973745  52.02325 2.120930   50.30000 3.800000   54.20000 4.800000   66.22170 2.505665   68.71295   3.050298 -2.491249 3.947490 
1 1 1  -16   10   11 o 102.8348 1.727690  121.3844 2.874783   125.3000 5.700000   117.4000 5.800000   104.5137 2.381449   101.1558   2.503668 3.357849 3.455381 
1 1 1  -16   10   12 o 97.60658 1.818599  109.1826 2.869565   101.1000 5.500000   118.0000 6.000000   93.83788 2.559318   101.3753   2.584394 -7.537422 3.637197 
1 1 1  -16   10   13 o 109.0038 1.749713  136.4992 3.050406   135.9000 6.700000   137.0000 5.600000   108.7555 2.690069   109.2522   2.238193 -0.4967346 3.499426 
1 1 1  -16   10   14 o 74.73471 1.858901  64.04000 2.240000   61.10000 4.200000   67.40000 4.800000   72.91418 2.515226   76.55525   2.737827 -3.641075 3.717803 
1 1 1  -16   10   15 o 63.36222 1.960564  46.39250 1.995000   49.10000 3.800000   43.40000 4.200000   65.34232 2.539387   61.38212   2.987770 3.960197 3.921129 
1 1 1  -16   10   16 o 59.25915 2.957116  41.97547 2.437736   44.70000 3.800000   37.10000 6.800000   62.28493 2.664037   56.23337   5.280251 6.051559 5.914232 
1 1 1  -16   10   17 o 15.71586 4.258942  1.150000 1.687500   3.700000 2.700000  -3.100000 4.500000   17.85764 5.782973   13.57409   6.253925 4.283549 8.517884 
1 1 1  -16   10   18 o 29.95331 4.560897  12.43667 2.090000   16.80000 3.300000   4.900000 5.700000   37.93719 3.798293   21.96943   8.293378 15.96777 9.121795 
1 1 1  -16   10   19 o 15.61985 4.845651 -1.597222 2.432407   2.000000 3.700000  -8.500000 7.100000   16.33334 6.532554   14.90637   7.158706 1.426969 9.691301 
1 1 1  -16   10   20 o 47.31452 3.779995  24.62000 2.353044   20.00000 3.300000   36.10000 8.200000   41.20925 3.496705   53.41979   6.702725 -12.21054 7.559991 
1 1 1  -16   10   21 o 14.63317 4.937328 -2.776991 2.376991  -3.800000 3.400000 -0.4000000 7.900000   10.55466 5.037656   18.71169   8.492988 -8.157034 9.874656 
1 1 1  -16   10   22 o 19.82220 5.526094  4.603636 2.269091   4.400000 3.200000   5.100000 7.800000   18.35511 6.303534   21.28929   9.078343 -2.934179 11.05219 
1 1 1  -16   10   23 o 28.99139 4.868063  13.41428 2.367857   17.30000 3.400000   4.500000 7.800000   37.55148 3.953589   20.43130   8.897264 17.12018 9.736127 
1 1 1  -16   10   24 o 16.55941 4.896928  3.045455 2.036364   2.500000 3.200000   4.000000 5.600000   15.05856 6.056569   18.06025   7.696595 -3.001694 9.793856 
1 1 1  -16   12    1 o 29.13353 3.815314  10.09565 1.643478   10.40000 4.200000   9.900000 2.700000   29.07160 6.474520   29.19547   4.038202 -0.1238670 7.630629 
1 1 1  -16   12    2 o 51.98051 2.314247  31.50389 1.922078   35.30000 3.700000   27.40000 4.000000   55.31717 2.920663   48.64386   3.590639 6.673317 4.628494 
1 1 1  -16   12    3 o 32.83744 3.317765  12.95970 1.671642   15.30000 3.200000   10.40000 3.500000   36.32894 3.846245   29.34593   5.407092 6.983011 6.635529 
1 1 1  -16   12    4 o 25.53695 4.334875  7.878873 1.746479   9.400000 4.000000   6.700000 3.100000   27.65782 6.436022   23.41608   5.808802 4.241735 8.669749 
1 1 1  -16   12    5 o 59.04181 2.239635  39.37907 2.093023   33.10000 3.600000   48.10000 5.000000   53.57515 2.934126   64.50848   3.384487 -10.93333 4.479269 
1 1 1  -16   12    6 o 35.45303 4.450573  16.07634 2.227957   11.50000 5.600000   19.10000 3.700000   30.33569 7.960641   40.57036   3.982287 -10.23467 8.901147 
1 1 1  -16   12    7 o 61.37736 2.516410  42.67143 2.250000   47.30000 6.300000   40.10000 3.500000   63.75103 4.315122   59.00369   2.590172 4.747337 5.032819 
1 1 1  -16   12    8 o 34.11574 4.040070  14.58293 2.006098   10.80000 4.700000   17.40000 3.500000   29.51341 7.050384   38.71807   3.947245 -9.204659 8.080139 
1 1 1  -16   12    9 o 23.35840 5.136758  5.532609 2.143478   11.90000 5.800000   1.800000 3.400000   30.76409 8.115274   15.95272   6.299799 14.81137 10.27352 
1 1 1  -16   12   10 o 33.94991 4.684383  14.25600 2.496000   16.80000 4.800000   11.50000 5.200000   37.68404 5.561904   30.21577   7.539165 7.468271 9.368767 
1 1 1  -16   12   11 o 50.81092 2.419468  30.07403 1.807792   30.30000 2.900000   29.70000 4.800000   51.24269 2.471188   50.37915   4.160352 0.8635406 4.838936 
1 1 1  -16   12   12 o 53.85441 2.112787  33.81781 1.816438   31.20000 3.900000   36.10000 3.400000   51.82454 3.286010   55.88428   2.656617 -4.059742 4.225574 
1 1 1  -16   12   13 o 26.53192 4.370020  8.818919 1.844595   10.40000 3.900000   7.400000 3.500000   28.82672 6.097964   24.23712   6.261242 4.589594 8.740041 
1 1 1  -16   12   14 o 47.90021 2.548574  26.69359 1.867949   25.70000 3.100000   28.20000 4.700000   47.00045 2.880046   48.79996   4.205504 -1.799511 5.097149 
1 1 1  -16   12   15 o 17.76310 4.200492  1.159740 1.924675  -5.700000 3.800000   8.200000 3.900000   10.50811 5.093229   25.01809   6.680984 -14.50998 8.400984 
1 1 1  -16   12   16 o 16.21007 4.597261  1.521519 1.959494   3.800000 3.600000  -1.200000 4.300000   18.29221 6.647063   14.12793   6.352623 4.164280 9.194523 
1 1 1  -16   12   17 o 28.06284 4.138795  10.68904 1.783562   12.60000 3.100000   8.100000 4.200000   32.13091 4.212873   23.99478   7.125321 8.136137 8.277590 
1 1 1  -16   12   18 o 15.37315 4.221034  1.423437 1.473437  -1.200000 2.300000   6.100000 4.100000   9.841147 4.510675   20.90515   7.135987 -11.06400 8.442068 
1 1 1  -16   12   19 o 15.87982 4.360398  2.225714 1.748571   4.800000 3.400000 -0.5000000 3.600000   18.80795 6.495330   12.95170   5.819189 5.856246 8.720796 
1 1 1  -16   12   20 o 31.74855 3.957619  13.39487 1.867949   12.60000 3.100000   14.60000 4.700000   31.67013 4.274167   31.82697   6.662018 -0.1568413 7.915238 
1 1 1  -16   14    1 o 16.17014 4.255977  2.247826 1.695652   4.900000 3.000000  -1.200000 3.900000   19.23654 6.081858   13.10374   5.955196 6.132795 8.511953 
1 1 1  -16   14    2 o 38.04618 3.435755  17.89286 2.089286   13.90000 3.900000   22.50000 4.500000   33.33469 5.108670   42.75768   4.595557 -9.422981 6.871510 
1 1 1  -16   14    3 o 17.45175 4.584370  3.456522 1.681159   2.700000 2.900000   4.500000 4.000000   15.78507 5.924524   19.11843   6.997556 -3.333359 9.168739 
1 1 1  -16   14    4 o 57.88272 2.123456  39.42405 1.967089   30.90000 3.700000   49.10000 4.200000   51.12366 3.160236   64.64178   2.837107 -13.51812 4.246912 
1 1 1  -16   14    5 o 17.34456 5.065610  2.034043 2.323404 -0.2000000 4.200000   4.800000 5.200000   14.48394 6.409680   20.20519   7.845866 -5.721251 10.13122 
1 1 1  -16   14    6 o 30.32311 3.649112  11.66522 1.721739   8.700000 3.300000   14.90000 3.600000   25.75193 5.741924   34.89429   4.504928 -9.142357 7.298223 
1 1 1  -16   14    7 o 21.27243 4.756289  5.771429 1.885714   2.900000 3.300000   9.600000 4.400000   16.39312 6.280839   26.15173   7.144240 -9.758608 9.512577 
1 1 1  -16   14    8 o 19.36085 4.683047  4.808108 1.714865   5.100000 2.700000   4.300000 4.700000   19.63055 5.681110   19.09116   7.446388 0.5393925 9.366094 
1 1 1  -16   14    9 o 19.01768 4.551115  1.804301 2.318280   9.800000 4.400000  -7.100000 4.900000   26.39333 7.116867   11.64202   5.674575 14.75131 9.102230 
1 1 1  -16   14   10 o 10.48924 3.465335 -4.473846 1.621538  -9.600000 3.400000  0.2000000 3.100000   8.081037 4.065789   12.89745   5.612803 -4.816416 6.930671 
1 1 1  -16   14   11 o 19.95035 4.593200  5.471831 1.771831   3.700000 3.700000   7.100000 3.400000   17.40916 6.655257   22.49155   6.332259 -5.082390 9.186400 
1 1 1  -16   14   12 o 21.22339 4.643598  5.755000 1.980000   1.300000 3.600000   11.20000 4.400000   14.57264 6.189698   27.87415   6.923846 -13.30151 9.287195 
1 1 1  -16   14   13 o 11.76060 3.954205 -2.862500 1.875000  -2.300000 3.000000  -3.800000 5.000000   10.48467 4.921979   13.03654   6.190077 -2.551876 7.908409 
1 1 1  -16   14   14 o 17.35441 4.564911  2.518987 1.949367  -2.000000 3.500000   8.200000 4.400000   11.55223 5.388278   23.15659   7.370219 -11.60436 9.129823 
1 1 1  -16   14   15 o 19.92602 4.655939  5.131579 2.235790   9.300000 3.600000  -1.700000 5.900000   25.19259 6.265831   14.65944   6.888427 10.53315 9.311877 
1 1 1  -15    1    1 o 124.7744 1.500710  178.9975 2.959167   183.9000 5.300000   172.8000 6.700000   126.7195 1.826300   122.8293   2.381839 3.890198 3.001421 
1 1 1  -15    1    2 o 570.6248 6.489326  3717.415 59.53469   4084.600 130.9000   3411.100 109.2000   596.2310 9.586605   545.0186   8.748851 51.21234 12.97865 
1 1 1  -15    1    3 o 340.9518 5.891210  0.000000 0.000000          ?        ?   1332.700 46.00000          ?        ?   340.9518   5.891210       ?       ? 
1 1 1  -15    1    4 o 364.8380 4.373170  1526.272 25.80736   1532.700 50.30000   1519.500 53.00000   365.6400 6.006950   364.0359   6.357279 1.604004 8.746340 
1 1 1  -15    1    5 o 244.6802 2.668304  687.7976 10.03614   675.4000 24.50000   696.4000 17.00000   242.7860 4.406382   246.5744   3.010514 -3.788437 5.336609 
1 1 1  -15    1    6 o 307.7223 2.599204  1083.975 12.92664   1107.900 27.00000   1062.000 24.80000   310.9725 3.791242   304.4721   3.556672 6.500366 5.198407 
1 1 1  -15    1    7 o 226.4945 2.030648  585.9258 7.416443   619.7000 15.90000   556.4000 13.90000   232.5909 2.984998   220.3981   2.753890 12.19279 4.061296 
1 1 1  -15    1    8 o 117.8819 1.309686  159.1500 2.500000   160.9000 5.000000   157.4000 5.000000   118.5302 1.841962   117.2337   1.862332 1.296455 2.619372 
1 1 1  -15    1    9 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -15    1   10 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -15    1   11 o 133.5558 1.907718  202.1565 3.737888   196.0000 5.900000   212.8000 10.20000   130.8204 1.969319   136.2912   3.267925 -5.470779 3.815436 
1 1 1  -15    1   12 o 186.3438 2.010491  397.1233 5.543644   395.2000 8.900000   400.3000 14.70000   185.7607 2.092068   186.9268   3.433883 -1.166031 4.020983 
1 1 1  -15    1   13 f 623.1092 5.988173  4483.015 54.50356   4542.700 86.90000   4382.600 146.2000   629.2656 6.030114   616.9528   10.34749 12.31287 11.97635 
1 1 1  -15    1   14 o 405.7685 4.159902  1867.775 23.11005   1827.200 34.50000   1950.100 70.00000   399.3425 3.772362   412.1945   7.415417 -12.85199 8.319803 
1 1 1  -15    1   15 f 266.8799 3.099741  817.3110 12.69354   822.6000 21.40000   809.6000 31.20000   267.9737 3.487075   265.7860   5.125806 2.187683 6.199482 
1 1 1  -15    1   16 f 65.39326 1.546418  47.13906 1.410937   43.30000 2.100000   55.00000 4.300000   61.49086 1.491243   69.29566   2.709581 -7.804806 3.092836 
1 1 1  -15    1   17 o 256.8565 2.610507  763.6155 9.913604   787.9000 16.10000   724.7000 25.80000   262.2663 2.680545   251.4468   4.480363 10.81944 5.221013 
1 1 1  -15    1   18 o 444.4630 4.235644  2249.125 27.35600   2200.500 42.90000   2334.700 75.50000   438.1270 4.275599   450.7990   7.313138 -12.67194 8.471289 
1 1 1  -15    1   19 o 127.4209 1.779976  187.7901 3.369718   193.6000 5.500000   178.6000 8.700000   130.0072 1.847290   124.8346   3.043153 5.172531 3.559952 
1 1 1  -15    1   20 o 155.7765 1.831180  280.9789 4.357778   293.6000 7.400000   262.9000 10.60000   160.0958 2.018327   151.4572   3.056016 8.638580 3.662359 
1 1 1  -15    1   21 o 112.0146 2.087309  141.4592 3.330612   135.7000 5.100000   152.3000 9.600000   108.8247 2.046361   115.2045   3.638659 -6.379829 4.174618 
1 1 1  -15    1   22 o 114.3887 1.845347  146.3248 2.977444   137.9000 4.500000   162.8000 8.800000   109.6962 1.791268   119.0812   3.226852 -9.385033 3.690693 
1 1 1  -15    1   23 o 218.4955 2.487793  549.7075 8.202035   550.1000 13.50000   549.1000 20.90000   218.8371 2.693720   218.1539   4.183339 0.6832275 4.975585 
1 1 1  -15    1   24 o 59.19058 2.023487  39.07631 1.710526   36.10000 2.600000   44.80000 5.000000   56.07526 2.024612   62.30591   3.504132 -6.230656 4.046973 
1 1 1  -15    1   25 o 67.79416 2.143635  53.75652 2.260870   57.80000 4.000000   48.50000 5.200000   70.85771 2.464975   64.73060   3.507788 6.127113 4.287270 
1 1 1  -15    1   26 o 43.75747 2.599136  23.89403 1.644776   30.30000 2.900000   15.50000 3.800000   51.23037 2.471782   36.28457   4.573000 14.94579 5.198273 
1 1 1  -15    1   27 o 27.87028 4.148002  10.64658 1.726027   13.60000 2.800000   5.900000 4.500000   33.97779 3.598343   21.76276   7.474998 12.21503 8.296003 
1 1 1  -15    1   28 o 22.10617 4.523601  6.514102 1.698718   7.700000 2.500000   4.000000 5.300000   24.76433 4.576702   19.44801   7.804209 5.316320 9.047202 
1 1 1  -15    1   29 o 38.69387 2.864065  18.51408 1.757746   19.10000 3.200000   17.80000 3.900000   39.71256 3.518534   37.67518   4.520109 2.037380 5.728130 
1 1 1  -15    1   30 o 15.87959 4.047152 0.3348834 1.922093   6.000000 2.900000  -10.80000 5.700000   20.56899 5.868222   11.19018   5.575100 9.378806 8.094304 
1 1 1  -15    3    1 o 142.7461 1.438943  233.4384 3.324812   238.5000 6.600000   228.3000 6.700000   144.3064 1.997092   141.1858   2.072161 3.120590 2.877886 
1 1 1  -15    3    2 o 376.9409 3.219602  1628.366 19.63970   1638.800 40.20000   1618.400 38.40000   378.1139 4.642406   375.7679   4.462222 2.345978 6.439205 
1 1 1  -15    3    3 o 351.6174 3.051653  1416.990 17.37410   1411.400 35.00000   1422.500 34.50000   350.9260 4.355041   352.3089   4.275975 -1.382904 6.103306 
1 1 1  -15    3    4 o 429.7379 3.549629  2117.105 24.69504   2114.000 48.70000   2120.300 50.10000   429.4250 4.952008   430.0508   5.086953 -0.6257324 7.099258 
1 1 1  -15    3    5 o 123.7682 1.286166  175.5447 2.572816   178.7000 5.000000   172.2000 5.300000   124.9154 1.747809   122.6210   1.887342 2.294334 2.572333 
1 1 1  -15    3    6 o 112.1862 1.169685  144.1141 2.124706   141.1000 4.200000   147.2000 4.300000   110.9993 1.652224   113.3732   1.656143 -2.373917 2.339370 
1 1 1  -15    3    7 o 126.1057 1.347292  181.9345 2.741818   186.1000 5.800000   178.2000 5.200000   127.4722 1.986791   124.7392   1.820288 2.733002 2.694585 
1 1 1  -15    3    8 o 520.7866 4.262789  3111.337 35.94993   3102.100 71.80000   3120.600 72.00000   520.0123 6.029073   521.5609   6.027916 -1.548523 8.525578 
1 1 1  -15    3    9 o 477.8557 4.012419  2617.809 31.03841   2575.100 60.90000   2662.200 63.30000   473.8894 5.611513   481.8219   5.736631 -7.932434 8.024837 
1 1 1  -15    3   10 o 54.28759 1.055775  33.75406 0.9189189   33.70000 2.000000   33.80000 1.700000   54.24694 1.609883   54.32823   1.366354 -0.8128738E-01 2.111551 
1 1 1  -15    3   11 o 621.2656 5.076595  4428.194 51.06001   4359.000 100.4000   4499.800 103.9000   616.3405 7.112999   626.1908   7.245171 -9.850342 10.15319 
1 1 1  -15    3   12 o 348.8110 3.000711  1394.082 16.94764   1371.600 33.50000   1417.100 34.30000   345.9662 4.228154   351.6558   4.259082 -5.689575 6.001422 
1 1 1  -15    3   13 o 190.7690 1.991023  416.9000 6.150000   424.5000 12.30000   409.3000 12.30000   192.5085 2.789940   189.0294   2.841290 3.479156 3.982046 
1 1 1  -15    3   14 o 474.7655 5.739118  2584.000 62.40000   2584.000 62.40000          ?        ?   474.7655 5.739118          ?          ?       ?       ? 
1 1 1  -15    3   15 o 451.8751 3.887930  2340.790 28.44991   2346.400 57.00000   2335.200 56.80000   452.4153 5.501451   451.3348   5.495273 1.080475 7.775859 
1 1 1  -15    3   16 o 149.1505 2.371374  0.000000 0.000000          ?        ?   254.8000 8.100000          ?        ?   149.1505   2.371374       ?       ? 
1 1 1  -15    3   17 o 326.7299 2.858110  1221.425 15.08529   1276.300 31.80000   1171.900 28.70000   333.6903 4.161244   319.7695   3.919084 13.92081 5.716220 
1 1 1  -15    3   18 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -15    3   19 o 256.0529 2.854590  754.4275 10.51648   761.1000 16.50000   742.7000 29.00000   257.7201 2.795602   254.3858   4.977885 3.334335 5.709179 
1 1 1  -15    3   20 o 52.00018 1.928154  31.07813 1.560938   31.50000 2.700000   30.50000 3.700000   52.42903 2.248701   51.57132   3.132804 0.8577118 3.856308 
1 1 1  -15    3   21 o 199.9111 2.260381  457.6453 6.707368   454.5000 10.80000   462.8000 17.70000   199.1069 2.368521   200.7153   3.850637 -1.608398 4.520763 
1 1 1  -15    3   22 o 59.96830 2.446733  41.31087 2.143478   41.20000 3.400000   41.50000 5.800000   59.91996 2.477691   60.01664   4.219841 -0.9667587E-01 4.893466 
1 1 1  -15    3   23 o 52.68986 2.021784  32.27015 1.611940   33.60000 2.700000   30.30000 4.000000   54.09993 2.179248   51.27979   3.406070 2.820148 4.043567 
1 1 1  -15    3   24 o 80.20041 1.601349  73.20975 1.951220   70.40000 3.200000   77.60000 5.000000   78.31044 1.784309   82.09037   2.659607 -3.779930 3.202697 
1 1 1  -15    3   25 o 42.43462 2.408732  22.46000 1.473333   28.70000 2.600000   14.30000 3.400000   49.90852 2.274774   34.96072   4.246571 14.94781 4.817464 
1 1 1  -15    3   26 o 77.23323 2.130397  70.45000 2.408823   73.70000 3.900000   65.20000 6.300000   79.90467 2.131239   74.56180   3.689469 5.342873 4.260794 
1 1 1  -15    3   27 o 19.72289 4.659705  4.684932 1.747945   5.400000 2.900000   3.600000 4.400000   20.61491 5.863682   18.83088   7.243524 1.784037 9.319410 
1 1 1  -15    3   28 o 59.28014 2.515693  41.65263 2.258947   39.90000 3.700000   44.40000 5.800000   58.21203 2.775420   60.34826   4.196651 -2.136234 5.031385 
1 1 1  -15    3   29 o 35.27956 2.964610  15.65385 1.578462   16.90000 2.700000   13.90000 3.800000   37.57897 3.137319   32.98014   5.031191 4.598831 5.929220 
1 1 1  -15    5    1 o 254.8490 2.319835  743.4990 9.563969   767.9000 19.80000   720.7000 18.50000   258.8878 3.339592   250.8102   3.220818 8.077560 4.639670 
1 1 1  -15    5    2 f 413.7149 3.406816  1961.468 22.81511   1927.000 44.70000   1997.400 46.60000   410.0092 4.760512   417.4207   4.874743 -7.411530 6.813633 
1 1 1  -15    5    3 o 444.6213 3.732513  2265.935 26.86977   2233.100 53.00000   2299.700 54.50000   441.3582 5.243537   447.8845   5.313372 -6.526306 7.465025 
1 1 1  -15    5    4 o 434.8321 3.617822  2167.396 25.47498   2170.900 51.00000   2163.900 50.90000   435.1831 5.117264   434.4811   5.115482 0.7020264 7.235645 
1 1 1  -15    5    5 o 279.8996 2.548233  897.5537 11.54978   886.9000 23.00000   908.3000 23.20000   278.2310 3.609624   281.5682   3.597858 -3.337219 5.096466 
1 1 1  -15    5    6 o 229.9616 2.000007  604.7375 7.433557   577.1000 14.20000   635.1000 15.60000   224.4589 2.762430   235.4644   2.892938 -11.00549 4.000014 
1 1 1  -15    5    7 o 132.5420 1.374457  201.2000 2.950000   199.8000 5.900000   202.6000 5.900000   132.0807 1.950528   133.0032   1.937000 -0.9224548 2.748914 
1 1 1  -15    5    8 o 203.9273 1.952680  475.7039 6.440310   451.0000 12.40000   502.4000 13.40000   198.4270 2.728730   209.4276   2.793899 -11.00055 3.905360 
1 1 1  -15    5    9 o 271.6155 2.432665  845.1269 10.69977   850.1000 21.50000   840.2000 21.30000   272.4107 3.446307   270.8203   3.434299 1.590424 4.865330 
1 1 1  -15    5   10 o 267.1292 3.375422  813.1801 14.44589   873.5000 32.20000   764.1000 26.20000   276.0442 5.093507   258.2142   4.430583 17.83002 6.750844 
1 1 1  -15    5   11 o 658.4573 7.558462  4979.032 80.50617   4848.300 155.7000   5119.000 166.7000   649.5635 10.46663   667.3511   10.90739 -17.78760 15.11692 
1 1 1  -15    5   12 o 184.7582 1.907476  391.2127 5.699562   418.5000 11.50000   364.4000 11.30000   191.1507 2.627009   178.3656   2.766349 12.78508 3.814953 
1 1 1  -15    5   13 o 306.5786 2.821079  1077.271 13.99839   1097.700 27.70000   1056.400 28.30000   309.5219 3.907763   303.6353   4.069808 5.886566 5.642158 
1 1 1  -15    5   14 o 195.7549 1.928869  438.1885 6.050410   448.0000 13.30000   430.0000 11.10000   197.7559 2.936716   193.7539   2.501567 4.001953 3.857737 
1 1 1  -15    5   15 o 463.2805 3.907667  2456.343 29.22933   2588.800 62.00000   2338.200 55.30000   475.0445 5.698979   451.5164   5.347998 23.52808 7.815334 
1 1 1  -15    5   16 o 306.7905 2.772732  1078.957 13.77387   1057.900 27.30000   1100.400 27.80000   303.7693 3.924266   309.8116   3.918202 -6.042297 5.545464 
1 1 1  -15    5   17 o 267.0081 2.411606  817.4417 10.42446   804.6000 21.00000   830.1000 20.70000   264.9207 3.461330   269.0954   3.358952 -4.174622 4.823212 
1 1 1  -15    5   18 o 277.7346 2.619942  884.5236 11.75159   878.6000 22.50000   891.0000 24.60000   276.7812 3.549650   278.6881   3.854397 -1.906860 5.239885 
1 1 1  -15    5   19 o 103.6197 1.670447  123.1500 2.800000   129.7000 5.600000   116.6000 5.600000   106.3799 2.298625   100.8595   2.424437 5.520378 3.340894 
1 1 1  -15    5   20 o 108.4167 1.727975  134.8149 3.008265   135.0000 5.600000   134.6000 6.500000   108.5096 2.253510   108.3238   2.620167 0.1857529 3.455949 
1 1 1  -15    5   21 o 63.33913 1.803680  45.92973 1.844595   41.20000 3.500000   51.20000 3.900000   59.90156 2.551347   66.77671   2.550230 -6.875149 3.607360 
1 1 1  -15    5   22 o 44.29059 2.542727  22.53562 1.816438   20.30000 3.400000   25.10000 3.900000   41.94797 3.539221   46.63321   3.651817 -4.685242 5.085455 
1 1 1  -15    5   23 o 49.81263 2.397474  29.07368 1.894737   33.10000 3.600000   24.60000 4.000000   53.56360 2.934759   46.06166   3.791929 7.501942 4.794949 
1 1 1  -15    5   24 o 101.4387 1.691700  118.3073 2.676364   116.3000 4.600000   121.1000 6.400000   100.5243 1.998142   102.3531   2.730353 -1.828758 3.383400 
1 1 1  -15    5   25 o 41.27871 3.015864  20.96400 1.778667   23.40000 2.900000   17.10000 4.600000   44.88012 2.821524   37.67730   5.331111 7.202824 6.031728 
1 1 1  -15    5   26 o 24.02771 4.361842  7.217391 1.565217   6.800000 2.400000   8.000000 4.500000   23.43986 4.635139   24.61556   7.390410 -1.175699 8.723684 
1 1 1  -15    5   27 o 41.12425 2.444028  20.83387 1.524194   24.10000 2.700000   16.60000 3.500000   45.31711 2.601604   36.93139   4.138206 8.385727 4.888057 
1 1 1  -15    5   28 o 22.26438 5.060690  6.912048 1.966265   5.100000 3.200000   9.800000 5.100000   19.27710 6.298894   25.25166   7.922517 -5.974556 10.12138 
1 1 1  -15    7    1 o 239.5107 2.236598  656.8680 8.669164   670.0000 17.80000   644.4000 16.90000   241.8417 3.213871   237.1796   3.111351 4.662125 4.473196 
1 1 1  -15    7    2 o 224.9810 2.031133  579.4023 7.391554   593.1000 15.30000   566.6000 14.30000   227.5502 2.935986   222.4117   2.807489 5.138474 4.062266 
1 1 1  -15    7    3 o 382.0411 3.313685  1672.620 20.49951   1699.400 41.20000   1646.100 40.80000   385.0855 4.671751   378.9966   4.700721 6.088928 6.627371 
1 1 1  -15    7    4 o 218.6955 2.168459  548.0961 7.674267   562.9000 15.20000   533.0000 15.50000   221.6812 2.994018   215.7098   3.137629 5.971436 4.336918 
1 1 1  -15    7    5 o 154.8989 1.665709  274.7707 4.167665   275.5000 8.700000   274.1000 8.000000   155.0949 2.449409   154.7029   2.258038 0.3919983 3.331417 
1 1 1  -15    7    6 o 159.2218 1.774453  290.1437 4.568306   297.1000 9.500000   283.7000 8.800000   161.0578 2.575619   157.3858   2.441500 3.671982 3.548906 
1 1 1  -15    7    7 f 223.3940 2.118714  571.5160 7.617320   573.7000 16.30000   569.6000 14.30000   223.7895 3.180443   222.9985   2.800102 0.7910004 4.237427 
1 1 1  -15    7    8 o 330.0309 3.597893  1243.073 18.30145   1279.200 45.10000   1218.400 30.80000   333.9851 5.896430   326.0767   4.124494 7.908447 7.195786 
1 1 1  -15    7    9 o 398.9795 3.563723  1824.960 23.02476   1837.300 46.20000   1812.700 45.90000   400.3241 5.039297   397.6349   5.040433 2.689148 7.127446 
1 1 1  -15    7   10 o 282.2851 2.567065  912.7273 11.69680   920.7000 24.60000   905.5000 22.30000   283.4510 3.789630   281.1192   3.463810 2.331818 5.134129 
1 1 1  -15    7   11 o 247.0738 2.368258  699.4216 9.473351   697.3000 18.70000   701.6000 19.20000   246.6959 3.309935   247.4517   3.388055 -0.7558746 4.736516 
1 1 1  -15    7   12 o 191.1858 1.881805  418.1219 5.806867   431.9000 12.30000   405.8000 11.00000   194.1611 2.766193   188.2104   2.552047 5.950699 3.763611 
1 1 1  -15    7   13 o 234.5395 2.277418  630.0073 8.639595   646.2000 17.90000   614.9000 16.70000   237.4458 3.291760   231.6332   3.148150 5.812668 4.554836 
1 1 1  -15    7   14 o 240.3642 2.261657  662.3685 8.797442   669.2000 17.30000   655.3000 17.90000   241.6309 3.126319   239.0975   3.269021 2.533432 4.523314 
1 1 1  -15    7   15 o 139.5222 1.659714  222.9340 3.747333   218.7000 7.300000   227.4000 7.700000   138.1629 2.307126   140.8815   2.386583 -2.718628 3.319429 
1 1 1  -15    7   16 o 73.23659 1.780324  61.73095 2.098809   67.10000 4.100000   56.10000 4.300000   76.51754 2.339713   69.95564   2.684018 6.561905 3.560647 
1 1 1  -15    7   17 o 117.1334 1.674364  157.3228 3.174803   160.2000 6.300000   154.4000 6.400000   118.2155 2.327050   116.0512   2.408074 2.164284 3.348729 
1 1 1  -15    7   18 o 57.93633 1.650430  38.08387 1.524194   34.60000 2.700000   42.60000 3.500000   54.93331 2.146188   60.93933   2.507899 -6.006023 3.300860 
1 1 1  -15    7   19 o 73.00333 1.483753  61.06000 1.737143   60.10000 3.200000   62.20000 3.800000   72.38747 1.930307   73.61920   2.253887 -1.231735 2.967506 
1 1 1  -15    7   20 o 117.8846 1.781753  159.6419 3.393382   162.2000 7.100000   157.3000 6.500000   118.7721 2.610260   116.9971   2.425928 1.774963 3.563507 
1 1 1  -15    7   21 o 80.46354 1.765880  74.55000 2.300000   77.00000 4.600000   72.10000 4.600000   81.79310 2.455731   79.13398   2.538251 2.659119 3.531761 
1 1 1  -15    7   22 o 71.44931 1.793071  58.82530 2.072289   55.50000 4.000000   62.40000 4.300000   69.36047 2.518185   73.53814   2.553263 -4.177666 3.586141 
1 1 1  -15    7   23 o 74.27917 1.890901  63.79111 2.195555   63.20000 3.800000   64.60000 5.200000   73.99648 2.242396   74.56187   3.045273 -0.5653992 3.781802 
1 1 1  -15    7   24 o 44.01461 2.307556  22.88154 1.624615   27.40000 3.300000   18.50000 3.200000   48.41269 2.976422   39.61654   3.527063 8.796154 4.615112 
1 1 1  -15    7   25 o 12.29394 3.691117 -0.2418182 1.374545   2.100000 2.800000  -2.500000 2.700000   14.76718 5.750885   9.820693   4.628684 4.946486 7.382235 
1 1 1  -15    7   26 o 31.08537 4.325337  13.23929 2.098809   12.80000 4.100000   13.70000 4.300000   30.58537 6.067638   31.58537   6.165868 -1.000002 8.650674 
1 1 1  -15    7   27 o 15.86321 4.686767  1.714286 2.095238   4.700000 4.400000  -1.000000 4.000000   18.67521 7.226766   13.05120   5.969674 5.624011 9.373534 
1 1 1  -15    9    1 o 86.85650 1.790890  86.65500 2.475000   88.50000 4.500000   84.40000 5.500000   87.89242 2.235635   85.82058   2.798408 2.071838 3.581780 
1 1 1  -15    9    2 o 180.7241 1.944439  374.9432 5.666079   388.1000 10.90000   360.7000 11.80000   184.0397 2.586156   177.4086   2.904337 6.631042 3.888879 
1 1 1  -15    9    3 o 72.36304 1.686148  60.01392 1.974684   58.90000 4.000000   61.10000 3.900000   71.69874 2.436061   73.02733   2.331948 -1.328590 3.372295 
1 1 1  -15    9    4 f 229.5984 2.286332  604.3000 8.500000   613.1000 17.00000   595.5000 17.00000   231.2720 3.209708   227.9248   3.256845 3.347214 4.572665 
1 1 1  -15    9    5 o 301.2072 2.721728  1040.037 13.26441   1056.900 27.30000   1024.100 25.80000   303.5718 3.926819   298.8425   3.769789 4.729340 5.443456 
1 1 1  -15    9    6 o 164.3810 1.988877  310.3156 5.260664   320.6000 10.00000   298.9000 11.10000   167.2700 2.610488   161.4921   3.001314 5.777847 3.977755 
1 1 1  -15    9    7 o 362.4748 3.122493  1506.557 18.30014   1531.700 38.00000   1483.200 35.30000   365.3705 4.541400   359.5790   4.286671 5.791565 6.244987 
1 1 1  -15    9    8 o 61.18677 2.188947  42.18621 2.126437   36.70000 3.700000   49.60000 5.000000   56.59190 2.854875   65.78163   3.318983 -9.189728 4.377895 
1 1 1  -15    9    9 o 89.74979 1.566476  92.33076 2.274725   89.50000 4.600000   95.10000 4.500000   88.38705 2.272526   91.11253   2.156622 -2.725471 3.132953 
1 1 1  -15    9   10 o 92.59433 1.618915  98.29485 2.422680   99.70000 4.700000   96.80000 5.000000   93.28016 2.200130   91.90850   2.375494 1.371658 3.237830 
1 1 1  -15    9   11 o 118.2929 1.709690  160.2511 3.270229   164.3000 6.800000   156.5000 6.300000   119.7284 2.479998   116.8574   2.354096 2.871063 3.419380 
1 1 1  -15    9   12 f 225.3467 2.398215  582.7000 8.750000   595.3000 17.50000   570.1000 17.50000   227.7882 3.354645   222.9052   3.428132 4.883026 4.796429 
1 1 1  -15    9   13 o 85.18417 1.777508  83.25000 2.450000   87.10000 4.900000   79.40000 4.900000   87.15770 2.454879   83.21066   2.571324 3.947044 3.555016 
1 1 1  -15    9   14 o 59.39867 1.972765  40.85600 1.872000   35.50000 3.900000   45.80000 3.600000   55.60777 3.062449   63.18959   2.487692 -7.581821 3.945530 
1 1 1  -15    9   15 o 117.4914 1.741379  158.6129 3.281060   160.6000 6.100000   156.3000 7.100000   118.3114 2.251349   116.6713   2.657259 1.640076 3.482757 
1 1 1  -15    9   16 o 44.35000 2.364383  22.50588 1.686765   20.50000 3.100000   24.90000 3.700000   42.20546 3.207249   46.49453   3.474878 -4.289070 4.728765 
1 1 1  -15    9   17 o 45.97791 2.415676  25.04203 1.681159   27.90000 2.900000   21.10000 4.000000   49.25728 2.570794   42.69854   4.090597 6.558743 4.831353 
1 1 1  -15    9   18 o 52.65133 1.905704  31.87077 1.621538   34.80000 3.400000   29.20000 3.100000   54.95850 2.701368   50.34416   2.688761 4.614338 3.811407 
1 1 1  -15    9   19 o 57.22482 1.943370  37.68611 1.794444   42.70000 3.800000   33.20000 3.400000   60.82360 2.728043   53.62605   2.768489 7.197544 3.886740 
1 1 1  -15    9   20 o 99.59817 1.646698  114.1528 2.626415   111.3000 4.800000   117.6000 5.800000   98.28620 2.132497   100.9101   2.509764 -2.623932 3.293397 
1 1 1  -15    9   21 o 15.71070 4.258215  2.106557 1.475410   3.700000 3.600000   1.000000 2.500000   18.33592 6.649489   13.08547   5.321080 5.250450 8.516431 
1 1 1  -15    9   22 o 35.05917 3.823159  15.25714 2.095238   16.40000 4.000000   14.00000 4.400000   36.90312 4.733001   33.21523   6.005404 3.687889 7.646318 
1 1 1  -15    9   23 o 37.24781 2.669488  16.38437 1.523438   14.90000 2.500000   18.70000 3.900000   35.44937 3.079436   39.04625   4.361392 -3.596878 5.338976 
1 1 1  -15    9   24 o 52.20243 2.158978  32.54795 1.824658   32.70000 3.700000   32.40000 3.600000   52.29706 3.089329   52.10779   3.016751 0.1892700 4.317956 
1 1 1  -15    9   25 o 16.71951 4.740203  3.169231 1.903846   1.900000 3.300000   4.900000 4.500000   14.62224 6.047683   18.81679   7.300933 -4.194557 9.480406 
1 1 1  -15   11    1 o 47.08680 2.230405  25.45882 1.694118   24.80000 3.200000   26.20000 3.600000   46.44933 3.008225   47.72427   3.293843 -1.274944 4.460809 
1 1 1  -15   11    2 o 27.48996 3.651603  9.209524 1.571429   4.400000 3.000000   14.50000 3.300000   19.51060 6.068967   35.46933   4.062569 -15.95873 7.303207 
1 1 1  -15   11    3 o 19.90763 3.917875  4.268750 1.575000   7.900000 2.800000 -0.4000000 3.600000   25.72867 4.931531   14.08659   6.089252 11.64208 7.835751 
1 1 1  -15   11    4 o 88.96764 1.806187  90.89999 2.600000   86.60000 5.200000   95.20000 5.200000   86.85718 2.614191   91.07809   2.493039 -4.220909 3.612373 
1 1 1  -15   11    5 o 74.80141 2.018917  63.54490 2.413265   56.70000 4.300000   72.30000 5.500000   70.27576 2.671792   79.32706   3.027478 -9.051300 4.037833 
1 1 1  -15   11    6 o 97.67558 1.730474  108.9239 2.673394   105.0000 4.700000   114.1000 6.200000   95.67278 2.145108   99.67839   2.716004 -4.005615 3.460949 
1 1 1  -15   11    7 o 73.32495 2.178969  61.97476 2.574757   69.80000 5.200000   54.30000 5.100000   77.93735 2.913382   68.71255   3.240961 9.224800 4.357938 
1 1 1  -15   11    8 o 71.51663 2.312323  58.88224 2.672897   57.70000 5.500000   60.00000 5.200000   70.80495 3.391866   72.22830   3.143660 -1.423347 4.624647 
1 1 1  -15   11    9 o 39.94801 2.667048  18.38261 1.721739   18.80000 3.600000   18.00000 3.300000   40.37342 3.893558   39.52259   3.645929 0.8508339 5.334097 
1 1 1  -15   11   10 o 53.46337 2.686421  32.89462 2.311828   31.60000 4.300000   34.40000 5.000000   52.35124 3.586586   54.57550   4.000479 -2.224262 5.372841 
1 1 1  -15   11   11 o 57.86378 2.946570  38.07778 2.491667   36.20000 3.900000   41.40000 6.900000   56.06667 3.037383   59.66089   5.050089 -3.594219 5.893140 
1 1 1  -15   11   12 f 16.25333 4.748124 -1.588461 2.353846   3.500000 3.600000  -11.20000 6.800000   18.56967 6.660728   13.93700   6.768561 4.632672 9.496247 
1 1 1  -15   11   13 o 37.74342 3.429289  16.49146 1.928049   16.00000 3.100000   17.30000 5.100000   37.16935 3.641803   38.31749   5.811829 -1.148144 6.858577 
1 1 1  -15   11   14 o 48.20393 3.409003  27.79495 2.232323   29.10000 3.400000   25.30000 6.500000   50.20769 2.956980   46.20017   6.143410 4.007523 6.818007 
1 1 1  -15   11   15 o 83.18419 1.745082  79.79255 2.345745   78.50000 4.500000   81.20000 4.900000   82.50276 2.381682   83.86561   2.551243 -1.362846 3.490165 
1 1 1  -15   11   16 o 75.44530 1.720909  65.47857 2.080952   62.90000 3.800000   68.60000 4.600000   73.85523 2.246684   77.03535   2.607399 -3.180122 3.441819 
1 1 1  -15   11   17 o 41.91969 2.750854  20.70000 1.747945   20.70000 2.900000   20.70000 4.400000   42.15691 3.003785   41.68245   4.609344 0.4744606 5.501707 
1 1 1  -15   11   18 o 12.72532 4.015998 -0.8626866 1.656716 -0.2000000 3.700000  -1.400000 3.000000   13.93734 6.096938   11.51331   5.228796 2.424030 8.031996 
1 1 1  -15   11   19 f 28.44924 3.952299  10.61429 1.737143   12.90000 3.200000   7.900000 3.800000   32.66225 4.278028   24.23623   6.646890 8.426014 7.904598 
1 1 1  -15   11   20 o 19.32264 4.714491  4.844445 1.794444   3.900000 3.400000   5.900000 3.800000   17.81042 6.461648   20.83487   6.866791 -3.024443 9.428983 
1 1 1  -15   11   21 o 21.94274 4.515564  6.791304 1.721739   5.800000 3.600000   7.700000 3.300000   20.30871 6.683174   23.57677   6.074247 -3.268064 9.031129 
1 1 1  -15   11   22 o 13.53403 4.065650 0.9825396 1.574603   2.100000 3.200000 -0.1000000 3.100000   14.76207 6.013427   12.30598   5.473273 2.456089 8.131299 
1 1 1  -15   13    1 o 34.29778 3.158736  13.90000 1.750000   12.80000 3.500000   15.00000 3.500000   32.89733 4.645657   35.69822   4.281157 -2.800892 6.317471 
1 1 1  -15   13    2 o 25.11972 4.241591  7.856522 1.721739   10.10000 3.600000   5.800000 3.300000   28.59906 5.696666   21.64037   6.285889 6.958687 8.483183 
1 1 1  -15   13    3 o 63.61687 2.585988  47.29057 2.634906   48.40000 4.900000   46.00000 5.700000   64.52794 3.315797   62.70580   3.969235 1.822136 5.171976 
1 1 1  -15   13    4 o 50.25433 3.436876  29.76973 2.581651   30.20000 6.700000   29.50000 4.200000   50.20576 5.827213   50.30288   3.645827 -0.9711838E-01 6.873752 
1 1 1  -15   13    5 f 42.42311 3.603622  21.34142 2.474747   22.20000 5.000000   20.50000 4.900000   43.28276 5.044230   41.56347   5.147828 1.719288 7.207245 
1 1 1  -15   13    6 o 60.68613 2.009664  42.64304 1.974684   42.10000 3.900000   43.20000 4.000000   60.29909 2.824188   61.07317   2.859889 -0.7740822 4.019329 
1 1 1  -15   13    7 o 41.65688 3.277485  21.40602 2.060241   26.90000 3.800000   14.90000 4.500000   48.04495 3.453628   35.26881   5.571363 12.77615 6.554970 
1 1 1  -15   13    8 o 26.44206 3.922468  8.741539 1.621538   9.600000 3.100000   7.800000 3.400000   27.99645 5.019416   24.88767   6.028971 3.108774 7.844936 
1 1 1  -15   13    9 o 29.03443 3.402273  10.25000 1.550000   8.800000 3.100000   11.70000 3.100000   26.63808 5.268211   31.43079   4.306715 -4.792713 6.804545 
1 1 1  -15   13   10 o 20.78780 4.615772  5.216438 1.824658   2.800000 3.600000   7.700000 3.700000   17.11502 6.559482   24.46058   6.495737 -7.345552 9.231544 
1 1 1  -15   13   11 o 29.57610 3.502097  10.77231 1.624615   12.60000 3.300000   9.000000 3.200000   32.42879 4.443477   26.72341   5.414262 5.705378 7.004193 
1 1 1  -15   13   12 o 18.75398 4.453412  4.245313 1.585938   4.200000 2.900000   4.300000 3.500000   18.50342 5.993459   19.00455   6.588624 -0.5011349 8.906824 
1 1 1  -15   13   13 o 13.51358 3.949392 -1.929851 1.656716  -6.900000 3.000000   4.200000 3.700000   8.254449 4.101261   18.77271   6.750588 -10.51826 7.898784 
1 1 1  -15   13   14 o 14.56453 4.198793  1.309091 1.636364   2.900000 3.000000 -0.6000000 3.600000   16.06399 6.026472   13.06506   5.848170 2.998925 8.397586 
1 1 1  -15   13   15 o 28.99579 3.703974  10.29130 1.643478   7.200000 2.700000   15.10000 4.200000   23.51927 5.155036   34.47232   5.320084 -10.95304 7.407948 
1 1 1  -15   13   16 o 45.32269 3.057959  25.08427 2.123595   23.00000 3.500000   28.30000 5.400000   43.59359 3.505784   47.05179   5.011380 -3.458202 6.115918 
1 1 1  -15   13   17 o 18.36489 4.817636  3.045652 2.290217   8.000000 4.300000  -2.600000 4.900000   23.23463 7.272206   13.49514   6.320877 9.739491 9.635272 
1 1 1  -15   13   18 o 16.11790 4.148797  2.500000 1.650000   6.300000 3.300000  -1.300000 3.300000   20.67699 6.354253   11.55881   5.336060 9.118187 8.297594 
1 1 1  -15   15    1 o 17.75692 4.845248  3.945570 1.974684   3.600000 3.900000   4.300000 4.000000   17.30815 6.774211   18.20570   6.929341 -0.8975487 9.690495 
1 1 1  -15   15    2 o 18.44189 4.658004  4.058442 1.924675  0.9000000 3.800000   7.300000 3.900000   14.43864 6.248753   22.44515   6.909492 -8.006506 9.316008 
1 1 1  -15   15    3 o 21.86967 4.713059  6.828205 1.887179   8.100000 3.200000   5.000000 4.600000   24.36041 5.816298   19.37893   7.417708 4.981483 9.426119 
1 1 1  -15   15    4 o 16.89625 4.332554  3.274627 1.656716   5.200000 3.000000  0.9000000 3.700000   19.46812 6.071136   14.32439   6.182670 5.143731 8.665109 
1 1 1  -15   15    5 o 12.13897 4.053134 -3.103488 2.033721  -1.300000 3.300000  -6.000000 5.300000   11.79989 5.406452   12.47804   6.040021 -0.6781492 8.106268 
1 1 1  -15   15    6 o 19.05374 4.899389  4.475000 2.098809   7.700000 4.300000   1.400000 4.100000   22.83068 7.288051   15.27680   6.549838 7.553880 9.798779 
1 1 1  -15   15    7 o 14.68224 4.370238  1.050000 1.850000  -1.200000 3.700000   3.300000 3.700000   12.53171 5.735501   16.83277   6.595449 -4.301051 8.740476 
1 1 1  -15   15    8 o 16.55173 4.868642  2.200000 2.250000 -0.4000000 4.500000   4.800000 4.500000   14.20805 6.433282   18.89542   7.309417 -4.687367 9.737284 
1 1 1  -15   15    9 o 20.14106 4.980260  5.215789 2.368421   10.00000 4.500000 -0.1000000 5.000000   25.42936 7.327055   14.85276   6.747313 10.57660 9.960521 
1 1 1  -15   15   10 o 15.13828 4.302016  2.207353 1.698529  0.2000000 3.500000   4.100000 3.300000   13.04253 5.807329   17.23404   6.348566 -4.191508 8.604032 
1 1 1  -14    0    1 o 196.3736 2.380039  441.8000 10.70000   441.8000 10.70000   441.8000 10.70000   196.3736 2.380039   196.3736   2.380039 0.000000 0.000000 
1 1 1  -14    0    2 o 133.7969 1.763021  205.1000 5.400000   205.1000 5.400000   205.1000 5.400000   133.7969 1.763021   133.7969   1.763021 -0.000000 0.000000 
1 1 1  -14    0    3 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -14    0    4 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -14    0    5 f 41.11950 1.063528  19.40000 1.000000   19.40000 1.000000   19.40000 1.000000   41.11950 1.063528   41.11950   1.063528 0.000000 0.000000 
1 1 1  -14    0    6 o 196.9857 2.616734  444.6000 11.80000   444.6000 11.80000   444.6000 11.80000   196.9857 2.616734   196.9857   2.616734 -0.000000 0.000000 
1 1 1  -14    0    7 o 480.2959 5.620220  2643.900 61.80000   2643.900 61.80000   2643.900 61.80000   480.2959 5.620220   480.2959   5.620220 0.000000 0.000000 
1 1 1  -14    0    8 o 158.6198 2.230801  288.3000 8.100000   288.3000 8.100000   288.3000 8.100000   158.6198 2.230801   158.6198   2.230801 -0.000000 0.000000 
1 1 1  -14    0    9 o 290.2925 3.656498  965.7000 24.30000   965.7000 24.30000   965.7000 24.30000   290.2925 3.656498   290.2925   3.656498 -0.000000 0.000000 
1 1 1  -14    0   10 o 414.6206 5.098966  1970.600 48.40000   1970.600 48.40000   1970.600 48.40000   414.6206 5.098966   414.6206   5.098966 0.000000 0.000000 
1 1 1  -14    0   11 o 398.5497 4.712620  1820.600 43.00000   1820.600 43.00000   1820.600 43.00000   398.5497 4.712620   398.5497   4.712620 -0.000000 0.000000 
1 1 1  -14    0   12 o 226.5814 3.026842  588.3000 15.70000   588.3000 15.70000   588.3000 15.70000   226.5814 3.026842   226.5814   3.026842 -0.000000 0.000000 
1 1 1  -14    0   13 o 61.35492 1.639531  43.20000 2.300000   43.20000 2.300000   43.20000 2.300000   61.35492 1.639531   61.35492   1.639531 0.000000 0.000000 
1 1 1  -14    0   14 o 75.21788 1.801954  64.90000 3.100000   64.90000 3.100000   64.90000 3.100000   75.21788 1.801954   75.21788   1.801954 -0.000000 0.000000 
1 1 1  -14    0   15 o 333.2148 5.901129  1273.300 45.00000   1273.300 45.00000   1273.300 45.00000   333.2148 5.901129   333.2148   5.901129 -0.000000 0.000000 
1 1 1  -14    0   16 o 198.7411 2.747572  452.6000 12.50000   452.6000 12.50000   452.6000 12.50000   198.7411 2.747572   198.7411   2.747572 -0.000000 0.000000 
1 1 1  -14    0   17 o 153.4295 2.448944  269.8000 8.600000   269.8000 8.600000   269.8000 8.600000   153.4295 2.448944   153.4295   2.448944 -0.000000 0.000000 
1 1 1  -14    0   18 o 37.57041 3.560152  16.60000 3.000000   16.60000 3.000000   16.60000 3.000000   37.57041 3.560152   37.57041   3.560152 0.000000 0.000000 
1 1 1  -14    0   19 o 159.5233 2.547112  291.7000 9.300000   291.7000 9.300000   291.7000 9.300000   159.5233 2.547112   159.5233   2.547112 -0.000000 0.000000 
1 1 1  -14    0   20 o 290.9743 3.933374  970.7000 26.20000   970.7000 26.20000   970.7000 26.20000   290.9743 3.933374   290.9743   3.933374 0.000000 0.000000 
1 1 1  -14    0   21 o 14.99636 7.250789  3.800000 2.900000   3.800000 2.900000   3.800000 2.900000   14.99636 7.250789   14.99636   7.250789 -0.000000 0.000000 
1 1 1  -14    0   22 o 16.79833 7.542992  4.700000 3.100000   4.700000 3.100000   4.700000 3.100000   16.79833 7.542992   16.79833   7.542992 0.000000 0.000000 
1 1 1  -14    0   23 o 60.18729 2.256233  41.70000 3.100000   41.70000 3.100000   41.70000 3.100000   60.18729 2.256233   60.18729   2.256233 0.000000 0.000000 
1 1 1  -14    0   24 o 46.87499 3.588177  25.70000 3.800000   25.70000 3.800000   25.70000 3.800000   46.87499 3.588177   46.87499   3.588177 0.000000 0.000000 
1 1 1  -14    0   25 o 14.60206 7.831590  3.600000 3.600000   3.600000 3.600000   3.600000 3.600000   14.60206 7.831590   14.60206   7.831590 -0.000000 0.000000 
1 1 1  -14    0   26 o 108.4761 2.296785  135.4000 5.700000   135.4000 5.700000   135.4000 5.700000   108.4761 2.296785   108.4761   2.296785 -0.000000 0.000000 
1 1 1  -14    0   27 o 11.99916 7.173229  2.000000 3.500000   2.000000 3.500000   2.000000 3.500000   11.99916 7.173229   11.99916   7.173229 0.000000 0.000000 
1 1 1  -14    0   28 o 25.15574 7.208036  9.300000 3.600000   9.300000 3.600000   9.300000 3.600000   25.15574 7.208036   25.15574   7.208036 0.000000 0.000000 
1 1 1  -14    0   29 o 24.17745 7.434284  9.000000 3.600000   9.000000 3.600000   9.000000 3.600000   24.17745 7.434284   24.17745   7.434284 -0.000000 0.000000 
1 1 1  -14    0   30 o 11.71756 7.037182  2.300000 3.400000   2.300000 3.400000   2.300000 3.400000   11.71756 7.037182   11.71756   7.037182 -0.000000 0.000000 
1 1 1  -14    2    1 o 364.7148 3.043576  1523.675 17.95967   1551.000 37.00000   1497.900 34.90000   367.8851 4.391665   361.5445   4.215056 6.340607 6.087152 
1 1 1  -14    2    2 o 566.2737 5.637912  3696.949 49.39360   3778.200 84.80000   3583.600 118.3000   573.9842 6.451128   558.5632   9.248091 15.42096 11.27582 
1 1 1  -14    2    3 o 179.6307 1.650633  369.5823 4.797916   368.0000 9.800000   371.1000 9.400000   179.2532 2.387255   180.0082   2.280212 -0.7549438 3.301266 
1 1 1  -14    2    4 o 253.4800 2.223026  735.8217 9.121644   726.7000 17.90000   745.3000 18.60000   251.8795 3.103129   255.0805   3.184018 -3.200928 4.446052 
1 1 1  -14    2    5 o 218.5378 1.949833  546.7906 6.894203   556.0000 14.20000   538.1000 13.40000   220.3244 2.814268   216.7512   2.699498 3.573212 3.899665 
1 1 1  -14    2    6 o 342.2176 2.941389  1341.920 16.29985   1348.500 32.50000   1335.300 32.70000   343.0604 4.136685   341.3748   4.182693 1.685608 5.882779 
1 1 1  -14    2    7 o 193.1781 1.822246  426.8263 5.684211   441.3000 12.00000   413.8000 10.80000   196.2831 2.669550   190.0731   2.481092 6.210052 3.644491 
1 1 1  -14    2    8 o 392.8105 3.317779  1768.903 21.09810   1747.300 42.60000   1790.100 41.80000   390.4279 4.764403   395.1932   4.618559 -4.765320 6.635558 
1 1 1  -14    2    9 o 313.1122 2.815530  1122.168 14.24308   1091.300 27.20000   1156.100 29.90000   308.6051 3.848624   317.6194   4.110587 -9.014343 5.631060 
1 1 1  -14    2   10 o 399.1371 3.446927  1825.260 22.24063   1859.400 46.30000   1793.700 42.80000   402.7120 5.020258   395.5621   4.724641 7.149933 6.893854 
1 1 1  -14    2   11 o 242.1803 2.257155  672.0175 8.849717   660.0000 17.80000   683.9000 17.60000   240.0250 3.238196   244.3355   3.145327 -4.310455 4.514310 
1 1 1  -14    2   12 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -14    2   13 o 240.7932 3.046525  664.2000 16.80000   664.2000 16.80000          ?        ?   240.7932 3.046525          ?          ?       ?       ? 
1 1 1  -14    2   14 o 391.3734 4.705809  1757.003 29.82029   1780.900 60.40000   1733.700 58.90000   393.9972 6.693967   388.7495   6.615842 5.247650 9.411618 
1 1 1  -14    2   15 o 146.9225 1.845762  247.4840 4.350857   250.4000 8.100000   244.1000 9.400000   147.8615 2.392047   145.9836   2.811665 1.877930 3.691524 
1 1 1  -14    2   16 o 528.5851 5.168857  3193.984 39.10276   3163.100 60.70000   3249.900 109.9000   525.3096 5.045603   531.8607   9.022761 -6.551147 10.33771 
1 1 1  -14    2   17 o 114.5103 1.534065  152.3400 2.640000   160.3000 4.400000   140.4000 6.600000   118.3099 1.623945   110.7107   2.603118 7.599136 3.068130 
1 1 1  -14    2   18 o 403.3507 3.920185  1882.597 23.60232   1936.200 38.70000   1798.800 60.50000   410.9654 4.111927   395.7361   6.675586 15.22931 7.840370 
1 1 1  -14    2   19 o 308.0565 3.271313  1095.556 15.09905   1118.400 24.80000   1060.000 38.60000   312.3332 3.467155   303.7798   5.548404 8.553375 6.542626 
1 1 1  -14    2   20 o 191.4231 2.183965  425.2435 6.271756   443.9000 10.40000   396.9000 15.80000   196.8271 2.307215   186.0191   3.708850 10.80803 4.367929 
1 1 1  -14    2   21 o 108.9786 1.660512  135.5000 2.888889   129.9000 5.200000   142.5000 6.500000   106.4663 2.132706   111.4910   2.545736 -5.024689 3.321025 
1 1 1  -14    2   22 o 59.46861 1.818343  40.14286 1.714286   37.10000 3.000000   44.20000 4.000000   56.87795 2.303122   62.05926   2.814447 -5.181309 3.636686 
1 1 1  -14    2   23 o 182.1505 2.138005  383.8000 5.987854   394.0000 10.20000   369.3000 14.50000   185.2425 2.404359   179.0586   3.536002 6.183853 4.276009 
1 1 1  -14    2   24 o 48.46524 2.618325  27.27901 1.987654   28.10000 3.500000   26.20000 4.600000   49.37984 3.094982   47.55064   4.224168 1.829197 5.236650 
1 1 1  -14    2   25 o 19.85045 4.671383  3.886487 1.763514   1.300000 2.900000   7.900000 4.500000   14.43323 5.779555   25.26767   7.340575 -10.83444 9.342767 
1 1 1  -14    2   26 o 20.05410 4.832265  4.553846 1.821795   5.000000 2.900000   3.800000 4.900000   20.15241 5.903834   19.95579   7.651658 0.1966190 9.664530 
1 1 1  -14    2   27 o 23.65231 4.666021  6.853333 1.754667   4.800000 2.800000   10.30000 4.700000   19.50513 5.823663   27.79949   7.291910 -8.294359 9.332042 
1 1 1  -14    2   28 o 21.59536 4.450562  6.232836 1.591045   6.000000 2.600000   6.600000 4.100000   21.38452 5.328401   21.80620   7.130086 -0.4216766 8.901123 
1 1 1  -14    2   29 o 41.02494 2.972200  21.00267 1.754667   21.60000 2.800000   20.00000 4.700000   42.63572 2.867637   39.41417   5.206971 3.221550 5.944400 
1 1 1  -14    2   30 o 33.11979 4.258854  16.27750 1.788750   18.10000 2.700000   12.70000 5.300000   38.65751 3.049788   27.58207   7.952997 11.07544 8.517709 
1 1 1  -14    4    1 o 321.5719 2.856733  1184.577 14.86286   1168.500 28.90000   1201.600 30.60000   319.3315 3.951807   323.8122   4.126368 -4.480652 5.713465 
1 1 1  -14    4    2 o 205.7440 1.951111  484.8877 6.498462   485.7000 13.20000   484.1000 12.80000   205.9125 2.799181   205.5754   2.718808 0.3371429 3.902221 
1 1 1  -14    4    3 o 332.1418 2.853479  1263.215 15.33371   1220.600 29.70000   1308.700 31.70000   326.3597 3.973741   337.9240   4.096189 -11.56424 5.706959 
1 1 1  -14    4    4 o 340.6425 2.941435  1329.918 16.22496   1341.500 32.40000   1318.300 32.50000   342.1299 4.135172   339.1551   4.184318 2.974823 5.882871 
1 1 1  -14    4    5 o 140.8897 1.468275  227.0821 3.343284   220.3000 6.400000   234.5000 7.000000   138.6906 2.014989   143.0888   2.136152 -4.398193 2.936549 
1 1 1  -14    4    6 o 85.05214 1.163024  82.89532 1.598437   84.30000 3.100000   81.40000 3.300000   85.79693 1.577719   84.30735   1.709182 1.489578 2.326048 
1 1 1  -14    4    7 o 76.81546 1.106083  67.56727 1.374545   72.20000 2.800000   63.10000 2.700000   79.40175 1.539812   74.22918   1.588286 5.172569 2.212165 
1 1 1  -14    4    8 o 580.9189 4.687859  3871.550 44.09796   3835.000 87.60000   3908.600 88.80000   578.1605 6.615999   583.6774   6.643239 -5.516907 9.375717 
1 1 1  -14    4    9 o 564.2474 4.640407  3652.083 42.39853   3706.100 85.30000   3598.700 84.30000   568.3972 6.552950   560.0978   6.572089 8.299377 9.280814 
1 1 1  -14    4   10 o 242.7997 2.282721  675.3446 8.974373   674.7000 17.80000   676.0000 18.10000   242.6838 3.202720   242.9157   3.253589 -0.2319183 4.565442 
1 1 1  -14    4   11 o 466.5858 3.858098  2495.687 29.14786   2550.100 58.80000   2442.200 57.80000   471.6299 5.443969   461.5417   5.468353 10.08820 7.716197 
1 1 1  -14    4   12 o 339.7372 3.494503  1331.018 18.86859   1399.900 34.60000   1248.400 41.50000   349.5057 4.322764   329.9687   5.491805 19.53702 6.989006 
1 1 1  -14    4   13 o 538.0173 4.523390  3310.678 39.28789   3506.800 83.50000   3136.400 74.20000   553.0053 6.593209   523.0292   6.194662 29.97607 9.046781 
1 1 1  -14    4   14 o 326.2019 2.891601  1218.993 15.27169   1201.800 30.10000   1236.700 31.00000   323.8690 4.058231   328.5348   4.120216 -4.665802 5.783202 
1 1 1  -14    4   15 o 36.31876 2.123609  15.30816 1.212245   16.70000 2.200000   13.60000 2.700000   38.18380 2.515841   34.45371   3.421901 3.730087 4.247219 
1 1 1  -14    4   16 o 251.3925 2.444117  724.0882 9.948996   718.0000 19.70000   730.3000 20.10000   250.3260 3.436371   252.4591   3.476520 -2.133133 4.888234 
1 1 1  -14    4   17 o 18.37220 4.387843  3.593548 1.548387   3.800000 3.200000   3.400000 3.000000   18.80234 6.304856   17.94205   6.104215 0.8602867 8.775685 
1 1 1  -14    4   18 o 164.4911 2.389130  310.0000 9.000000   310.0000 9.000000          ?        ?   164.4911 2.389130          ?          ?       ?       ? 
1 1 1  -14    4   19 o 28.40129 3.956723  9.607042 1.774648   6.600000 3.500000   12.70000 3.600000   23.54990 6.346260   33.25268   4.727326 -9.702782 7.913446 
1 1 1  -14    4   20 o 129.2045 1.757202  191.4326 3.674830   186.6000 7.400000   196.2000 7.300000   127.5813 2.532704   130.8276   2.436481 -3.246361 3.514403 
1 1 1  -14    4   21 o 93.91515 1.734961  100.3190 2.556190   95.50000 4.400000   107.0000 6.100000   91.26728 2.105122   96.56303   2.758409 -5.295746 3.469922 
1 1 1  -14    4   22 o 96.47649 2.060063  106.6512 2.765854   105.9000 4.200000   108.1000 8.100000   96.08787 1.908624   96.86511   3.651383 -0.7772446 4.120127 
1 1 1  -14    4   23 o 221.3835 2.706405  567.3121 8.681551   569.4000 13.70000   563.7000 23.70000   222.4706 2.688981   220.2965   4.697648 2.174057 5.412810 
1 1 1  -14    4   24 o 63.70145 2.221770  47.70112 2.177528   51.80000 3.800000   42.20000 5.100000   67.07106 2.473934   60.33184   3.691164 6.739220 4.443539 
1 1 1  -14    4   25 o 64.88624 1.996771  48.45181 2.007229   47.10000 3.400000   50.40000 4.900000   63.90047 2.323349   65.87200   3.248142 -1.971527 3.993542 
1 1 1  -14    4   26 o 51.84264 2.191227  31.53151 1.808219   32.30000 3.300000   30.60000 4.000000   52.66530 2.736082   51.01998   3.423414 1.645321 4.382454 
1 1 1  -14    4   27 f 13.74954 3.926312  1.205263 1.389474   2.300000 2.400000 -0.3000000 3.300000   14.61146 5.408133   12.88763   5.693487 1.723830 7.852623 
1 1 1  -14    4   28 o 19.26805 4.159866  4.533333 1.733333   7.500000 2.600000  -1.400000 5.200000   23.95318 4.904750   14.58291   6.720220 9.370275 8.319732 
1 1 1  -14    4   29 o 17.75252 4.299301  3.527273 1.831169   6.800000 3.000000  -1.600000 4.700000   21.95546 5.857949   13.54957   6.294474 8.405883 8.598602 
1 1 1  -14    6    1 o 392.3963 3.918012  1769.566 24.27262   1797.300 43.20000   1734.000 55.40000   395.9831 4.763726   388.8095   6.221751 7.173645 7.836024 
1 1 1  -14    6    2 o 207.1837 2.567177  492.8761 8.235398   485.4000 19.80000   498.2000 14.10000   205.8171 4.200717   208.5504   2.952214 -2.733292 5.134354 
1 1 1  -14    6    3 o 228.3319 2.177773  597.2653 8.047205   600.7000 15.80000   593.7000 16.40000   229.0027 3.012702   227.6611   3.145537 1.341675 4.355545 
1 1 1  -14    6    4 o 264.8149 2.454158  803.0124 10.52019   828.7000 21.50000   778.4000 20.60000   268.9595 3.490530   260.6704   3.450763 8.289063 4.908316 
1 1 1  -14    6    5 o 376.3249 4.050285  1622.786 23.80820   1629.200 56.40000   1618.100 41.20000   376.8983 6.534233   375.7515   4.787802 1.146851 8.100571 
1 1 1  -14    6    6 f 317.2403 3.463443  1159.605 17.33001   1201.100 31.00000   1107.000 39.30000   323.7534 4.181067   310.7272   5.522719 13.02615 6.926886 
1 1 1  -14    6    7 o 212.3380 1.942815  516.4315 6.663671   516.9000 13.90000   516.0000 12.80000   212.4277 2.857218   212.2483   2.633331 0.1793518 3.885631 
1 1 1  -14    6    8 o 466.7129 3.959552  2496.966 29.92448   2500.800 59.60000   2493.100 60.10000   467.0752 5.571846   466.3505   5.627321 0.7247009 7.919104 
1 1 1  -14    6    9 o 314.7446 2.820574  1134.893 14.37148   1138.600 29.20000   1131.300 28.30000   315.2483 4.044546   314.2408   3.932453 1.007538 5.641147 
1 1 1  -14    6   10 o 414.5157 3.533756  1967.370 23.69631   2051.600 49.10000   1888.800 45.80000   423.0768 5.067596   405.9546   4.926377 17.12216 7.067512 
1 1 1  -14    6   11 o 304.0670 2.746790  1059.274 13.52458   1073.100 27.20000   1045.600 26.90000   306.0406 3.880874   302.0934   3.888218 3.947174 5.493580 
1 1 1  -14    6   12 o 318.0888 2.805048  1156.516 14.38754   1213.800 30.80000   1106.300 27.00000   325.4521 4.132410   310.7255   3.794256 14.72662 5.610097 
1 1 1  -14    6   13 o 123.0046 1.556311  173.2710 3.099194   175.1000 6.300000   171.5000 6.100000   123.6431 2.224900   122.3662   2.176748 1.276924 3.112621 
1 1 1  -14    6   14 o 529.1790 4.329445  3214.315 37.09993   3188.600 74.10000   3240.100 74.30000   527.0559 6.139051   531.3021   6.106425 -4.246155 8.658890 
1 1 1  -14    6   15 o 171.1959 1.830621  335.7823 5.074877   332.2000 10.10000   339.4000 10.20000   170.2782 2.590014   172.1136   2.587764 -1.835449 3.661242 
1 1 1  -14    6   16 o 195.2742 2.023945  436.6223 6.390234   448.0000 13.30000   426.1000 12.30000   197.7167 2.937298   192.8317   2.785264 4.885056 4.047890 
1 1 1  -14    6   17 o 167.3397 1.836187  320.9628 4.973869   321.8000 9.800000   320.1000 10.10000   167.5639 2.553791   167.1156   2.639029 0.4483185 3.672373 
1 1 1  -14    6   18 o 156.9936 1.760192  282.4492 4.473743   273.6000 8.800000   291.6000 9.100000   154.4932 2.487212   159.4940   2.491361 -5.000793 3.520384 
1 1 1  -14    6   19 o 124.6136 1.586072  177.9891 3.196875   176.1000 6.200000   180.0000 6.600000   123.9354 2.184420   125.2918   2.300176 -1.356407 3.172144 
1 1 1  -14    6   20 o 17.71152 3.604541  3.280000 1.248000  0.4000000 2.400000   6.400000 2.600000   12.34527 5.135899   23.07776   5.058991 -10.73249 7.209081 
1 1 1  -14    6   21 o 34.27535 3.045372  13.64179 1.656716   13.20000 3.700000   14.00000 3.000000   33.72776 4.790204   34.82295   3.761798 -1.095192 6.090745 
1 1 1  -14    6   22 o 72.65502 1.680132  60.65696 1.972152   54.50000 3.800000   67.30000 4.100000   68.82169 2.411004   76.48836   2.340606 -7.666672 3.360264 
1 1 1  -14    6   23 o 96.01263 1.816551  106.1938 2.819469   98.50000 5.400000   114.6000 5.900000   92.38540 2.552291   99.63985   2.585584 -7.254456 3.633102 
1 1 1  -14    6   24 o 45.54486 2.638442  24.48312 1.916883   26.40000 3.600000   22.30000 4.100000   47.57849 3.303935   43.51123   4.114548 4.067257 5.276883 
1 1 1  -14    6   25 o 52.83239 2.162686  32.65000 1.850000   33.30000 3.700000   32.00000 3.700000   53.36961 3.027244   52.29517   3.089441 1.074444 4.325373 
1 1 1  -14    6   26 o 17.36573 4.724356  3.040476 1.795238   4.000000 2.600000  0.9000000 5.800000   17.60950 5.671979   17.12196   7.556904 0.4875393 9.448711 
1 1 1  -14    6   27 o 17.01836 4.361003  3.540000 1.606154   4.700000 2.900000   2.100000 3.600000   18.62002 5.989525   15.41670   6.340266 3.203320 8.722006 
1 1 1  -14    6   28 o 28.30873 4.510340  12.30361 1.821687   13.80000 2.700000   9.200000 5.600000   33.49893 3.519432   23.11854   8.305797 10.38039 9.020679 
1 1 1  -14    8    1 o 190.1330 1.915702  413.3458 5.884746   434.1000 12.40000   394.6000 11.20000   194.6649 2.781466   185.6012   2.634978 9.063721 3.831405 
1 1 1  -14    8    2 o 500.6107 4.076936  2874.720 33.04879   2921.300 66.50000   2828.700 65.70000   504.6437 5.754087   496.5776   5.777207 8.066132 8.153872 
1 1 1  -14    8    3 o 222.5115 2.269516  567.2211 8.168807   568.3000 16.80000   566.2000 15.90000   222.7142 3.293829   222.3088   3.123059 0.4053650 4.539032 
1 1 1  -14    8    4 o 243.7924 2.374560  680.7840 9.371734   695.3000 19.10000   666.8000 18.40000   246.3420 3.385592   241.2428   3.330451 5.099182 4.749120 
1 1 1  -14    8    5 o 390.6077 3.316138  1748.982 20.96996   1760.000 42.60000   1738.300 41.30000   391.8135 4.747554   389.4019   4.631180 2.411591 6.632277 
1 1 1  -14    8    6 o 201.2798 2.086182  464.0522 6.798529   470.8000 13.80000   457.5000 13.40000   202.7211 2.972486   199.8386   2.927960 2.882492 4.172364 
1 1 1  -14    8    7 o 272.8551 2.638339  851.8644 11.60172   875.6000 24.80000   831.0000 21.80000   276.4104 3.917753   269.2998   3.534762 7.110565 5.276678 
1 1 1  -14    8    8 o 207.7549 2.126153  494.4021 7.141259   497.3000 14.80000   491.7000 13.80000   208.3396 3.101913   207.1703   2.908649 1.169312 4.252306 
1 1 1  -14    8    9 o 259.0441 2.354011  768.7997 9.871899   780.3000 20.10000   757.7000 19.40000   260.9454 3.363459   257.1428   3.294330 3.802643 4.708022 
1 1 1  -14    8   10 o 207.5861 2.133864  493.3364 7.090909   498.9000 15.60000   488.7000 13.00000   208.6454 3.264792   206.5268   2.748569 2.118576 4.267727 
1 1 1  -14    8   11 o 157.7063 1.752178  284.8911 4.473743   291.5000 9.100000   278.5000 8.800000   159.5045 2.491198   155.9082   2.464640 3.596268 3.504357 
1 1 1  -14    8   12 o 268.6609 2.539861  827.4380 11.04796   835.8000 22.40000   819.3000 21.80000   269.9972 3.622668   267.3246   3.560880 2.672577 5.079723 
1 1 1  -14    8   13 o 135.7087 1.638458  210.6917 3.588889   217.5000 7.600000   204.6000 6.800000   137.7799 2.408616   133.6375   2.221879 4.142426 3.276916 
1 1 1  -14    8   14 o 85.70950 1.567494  84.05632 2.167816   81.70000 4.100000   86.70000 4.600000   84.43957 2.120203   86.97943   2.309303 -2.539864 3.134987 
1 1 1  -14    8   15 o 49.26447 2.048331  28.62222 1.565079   22.20000 3.400000   34.10000 2.900000   43.98505 3.375309   54.54388   2.321623 -10.55883 4.096663 
1 1 1  -14    8   16 o 33.66900 3.604130  14.86866 1.629851   19.80000 2.800000   8.000000 3.900000   41.53747 2.943457   25.80054   6.579899 15.73693 7.208260 
1 1 1  -14    8   17 o 114.7795 1.620538  151.2292 2.979167   150.2000 6.500000   152.1000 5.500000   114.3997 2.481009   115.1594   2.085465 -0.7597809 3.241076 
1 1 1  -14    8   18 o 19.58465 4.143713  4.510526 1.424561   5.100000 2.800000   3.900000 2.900000   20.62779 5.724972   18.54152   5.992174 2.086273 8.287427 
1 1 1  -14    8   19 o 71.54807 1.813935  58.90000 2.100000   61.60000 4.200000   56.20000 4.200000   73.19587 2.505546   69.90026   2.623676 3.295609 3.627869 
1 1 1  -14    8   20 o 102.4099 1.763737  120.7402 2.924786   121.9000 5.900000   119.6000 5.800000   102.8955 2.503775   101.9244   2.484790 0.9711227 3.527473 
1 1 1  -14    8   21 o 103.4590 1.864766  123.5080 3.120000   117.7000 6.000000   129.8000 6.500000   100.9430 2.595461   105.9749   2.678242 -5.031898 3.729531 
1 1 1  -14    8   22 o 16.79558 4.544786  2.614493 1.707246   2.300000 3.100000   3.000000 3.800000   15.89551 6.088168   17.69565   6.749411 -1.800142 9.089573 
1 1 1  -14    8   23 o 29.73781 3.440330  10.59846 1.593846   8.100000 2.800000   13.90000 3.700000   25.50525 4.972324   33.97037   4.755992 -8.465124 6.880659 
1 1 1  -14    8   24 o 21.41504 4.140207  6.100000 1.643939   9.200000 3.100000   2.600000 3.500000   26.65333 5.265428   16.17674   6.390659 10.47658 8.280414 
1 1 1  -14    8   25 o 24.38694 4.402603  7.767123 1.726027   4.200000 2.800000   13.50000 4.500000   17.74694 5.896606   31.02694   6.539242 -13.28000 8.805206 
1 1 1  -14    8   26 o 38.09834 3.176401  18.30000 1.909091   24.90000 4.200000   12.80000 3.500000   44.67395 4.105203   31.52273   4.848238 13.15122 6.352803 
1 1 1  -14   10    1 o 56.94848 2.320970  37.74699 2.007229   40.00000 3.400000   34.50000 4.900000   59.07378 2.513181   54.82317   3.902758 4.250610 4.641940 
1 1 1  -14   10    2 o 114.4065 1.892157  150.1379 3.493572   152.1000 6.700000   148.0000 7.300000   115.1943 2.539705   113.6186   2.805519 1.575760 3.784315 
1 1 1  -14   10    3 o 104.7289 1.665802  125.7000 2.824779   125.7000 5.600000   125.7000 5.700000   104.7297 2.334843   104.7281   2.376573 0.1586914E-02 3.331605 
1 1 1  -14   10    4 o 272.0295 2.628007  849.1810 11.57235   847.1000 23.50000   851.2000 22.80000   271.6917 3.776862   272.3673   3.655271 -0.6755981 5.256015 
1 1 1  -14   10    5 o 159.5179 1.936989  291.8500 5.000000   304.6000 10.00000   279.1000 10.00000   163.0080 2.678741   156.0278   2.798580 6.980240 3.873978 
1 1 1  -14   10    6 o 197.7569 2.029877  448.2985 6.496539   444.0000 12.70000   452.8000 13.30000   196.7913 2.817978   198.7226   2.922430 -1.931290 4.059753 
1 1 1  -14   10    7 o 69.50904 2.048453  55.41956 2.290217   55.70000 4.300000   55.10000 4.900000   69.70367 2.693721   69.31441   3.086827 0.3892670 4.096905 
1 1 1  -14   10    8 o 102.6073 1.775526  120.6220 2.946610   118.4000 5.700000   123.0000 6.100000   101.6323 2.448965   103.5822   2.571487 -1.949867 3.551053 
1 1 1  -14   10    9 o 113.9737 1.749295  149.0512 3.224806   142.4000 6.500000   155.6000 6.400000   111.4440 2.546809   116.5034   2.398729 -5.059380 3.498590 
1 1 1  -14   10   10 o 61.01104 2.408431  42.62210 2.353684   41.40000 4.300000   44.10000 5.200000   60.06048 3.126219   61.96159   3.664548 -1.901112 4.816862 
1 1 1  -14   10   11 o 41.17420 3.414757  20.67619 2.023810   24.40000 3.400000   15.20000 5.000000   46.09551 3.220772   36.25289   6.022365 9.842617 6.829514 
1 1 1  -14   10   12 o 30.57570 3.727610  11.00000 1.800000   10.00000 3.600000   12.00000 3.600000   28.91046 5.639869   32.24094   4.875672 -3.330479 7.455220 
1 1 1  -14   10   13 o 110.7126 1.673860  140.4133 2.986667   135.7000 5.600000   145.8000 6.400000   108.7393 2.248750   112.6860   2.479989 -3.946693 3.347719 
1 1 1  -14   10   14 o 169.1333 2.056831  328.9836 5.606222   330.2000 11.90000   327.9000 10.60000   169.3858 3.067677   168.8807   2.740726 0.5051422 4.113662 
1 1 1  -14   10   15 o 55.66640 2.023917  35.56301 1.816438   37.70000 3.900000   33.70000 3.400000   57.21492 2.976426   54.11787   2.743329 3.097050 4.047834 
1 1 1  -14   10   16 o 49.83644 2.239395  29.06056 1.766197   32.50000 3.300000   25.10000 3.800000   53.10750 2.713300   46.56537   3.563364 6.542130 4.478790 
1 1 1  -14   10   17 o 67.18914 2.001754  52.17701 2.174713   49.80000 4.400000   54.50000 4.300000   65.65546 2.926318   68.72282   2.732167 -3.067352 4.003508 
1 1 1  -14   10   18 o 65.88300 1.688870  49.95000 1.787500   51.90000 3.900000   48.30000 3.300000   67.03403 2.540440   64.73196   2.226050 2.302078 3.377741 
1 1 1  -14   10   19 o 58.27656 2.096052  39.89231 1.938461   43.40000 3.600000   35.80000 4.200000   61.19423 2.568808   55.35889   3.312849 5.835342 4.192105 
1 1 1  -14   10   20 o 40.32547 2.451319  18.88750 1.560938   17.20000 2.700000   21.20000 3.700000   38.33629 3.075342   42.31464   3.818131 -3.978348 4.902637 
1 1 1  -14   10   21 o 15.31003 4.536039  1.364474 1.898684   1.900000 3.700000  0.8000000 3.900000   15.73039 6.443637   14.88968   6.386089 0.8407164 9.072078 
1 1 1  -14   10   22 o 17.20370 4.328411  3.477419 1.509677   5.800000 3.600000   1.800000 2.600000   20.48349 6.680397   13.92391   5.505712 6.559582 8.656822 
1 1 1  -14   10   23 o 14.07667 4.075316  1.546667 1.493333  0.8000000 3.200000   2.200000 2.800000   13.50852 5.788941   14.64481   5.737680 -1.136292 8.150633 
1 1 1  -14   10   24 o 12.23421 3.590268 -0.7000000 1.400000   3.400000 2.800000  -4.800000 2.800000   16.01343 5.855564   8.454988   4.156016 7.558438 7.180536 
1 1 1  -14   12    1 o 40.61012 2.655911  18.87000 1.727143   16.70000 3.100000   21.60000 3.900000   38.02165 3.560168   43.19859   3.942164 -5.176941 5.311822 
1 1 1  -14   12    2 o 31.60581 4.054634  12.65641 1.948718   18.60000 3.800000   6.400000 4.000000   40.07564 4.140405   23.13599   6.972609 16.93965 8.109268 
1 1 1  -14   12    3 o 54.99054 2.314943  35.00244 2.045122   32.80000 4.300000   37.00000 3.900000   53.30439 3.522453   56.67670   3.004691 -3.372314 4.629886 
1 1 1  -14   12    4 o 37.35578 2.872562  16.21304 1.724638   13.70000 3.400000   18.80000 3.500000   34.38081 4.318198   40.33076   3.789408 -5.949947 5.745124 
1 1 1  -14   12    5 o 31.16370 5.142194  10.37885 2.175961   7.100000 3.100000   18.10000 7.300000   24.17307 5.693627   38.15432   8.564535 -13.98125 10.28439 
1 1 1  -14   12    6 o 14.84522 4.601057 -1.336364 2.181818  0.8000000 4.000000  -3.900000 4.800000   15.92367 6.627991   13.76677   6.383465 2.156895 9.202113 
1 1 1  -14   12    7 o 20.99476 4.226656  3.784337 2.038554   9.900000 3.600000  -4.200000 4.700000   28.59824 5.696815   13.39129   6.245382 15.20695 8.453312 
1 1 1  -14   12    8 o 33.67048 5.391778  13.71207 2.650862   13.50000 4.100000   14.10000 7.500000   33.95355 5.272764   33.38740   9.406541 0.5661545 10.78356 
1 1 1  -14   12    9 o 54.79479 2.531547  35.33488 2.033721   37.10000 3.300000   32.50000 5.300000   56.75970 2.538713   52.82988   4.380623 3.929821 5.063094 
1 1 1  -14   12   10 o 14.79668 3.706299 -0.6548388 1.548387   5.200000 3.000000  -6.900000 3.200000   20.73053 5.985229   8.862823   4.373058 11.86771 7.412598 
1 1 1  -14   12   11 o 42.22347 2.656096  20.86667 1.798611   18.40000 3.700000   23.20000 3.500000   39.72347 4.067188   44.72347   3.417215 -5.000000 5.312191 
1 1 1  -14   12   12 o 18.07406 3.958036  3.177778 1.555556   6.600000 2.800000  -1.100000 3.500000   23.13032 5.386325   13.01781   5.801008 10.11251 7.916072 
1 1 1  -14   12   13 o 47.83045 2.621135  26.78608 1.883544   27.10000 3.100000   26.30000 4.800000   48.38347 2.797721   47.27743   4.433300 1.106037 5.242269 
1 1 1  -14   12   14 o 25.29298 4.112690  8.045455 1.636364   8.000000 3.000000   8.100000 3.600000   25.35233 5.335906   25.23363   6.259792 0.1186943 8.225381 
1 1 1  -14   12   15 o 43.93016 2.430808  22.58841 1.715942   18.60000 3.200000   27.20000 3.700000   39.74218 3.515912   48.11814   3.357628 -8.375961 4.861616 
1 1 1  -14   12   16 o 32.64588 2.808447  12.63220 1.454237   12.50000 2.600000   12.80000 3.300000   32.58496 3.484143   32.70681   4.405706 -0.1218491 5.616894 
1 1 1  -14   12   17 o 15.86462 4.477685 0.1125002 1.968750  -4.700000 3.500000   6.300000 4.500000   10.22518 4.939542   21.50406   7.469911 -11.27888 8.955370 
1 1 1  -14   12   18 o 19.31194 4.873420  4.857143 1.885714   4.300000 3.300000   5.600000 4.400000   18.25459 6.393695   20.36928   7.356737 -2.114685 9.746840 
1 1 1  -14   12   19 o 41.77960 2.598325  21.07143 1.714286   22.50000 4.000000   20.00000 3.000000   42.71954 4.088586   40.83967   3.207589 1.879871 5.196649 
1 1 1  -14   12   20 o 25.25256 4.626371  9.565853 2.019512   12.20000 3.600000   6.200000 4.600000   30.10474 5.421016   20.40038   7.498389 9.704361 9.252743 
1 1 1  -14   14    1 o 15.86051 4.782942 -0.8866666 2.090000   5.700000 5.700000  -4.700000 3.300000   21.79780 8.277721   9.923226   4.794317 11.87458 9.565885 
1 1 1  -14   14    2 o 21.69406 4.958004  5.346667 2.248889   10.10000 4.600000  0.8000000 4.400000   27.48433 7.216173   15.90378   6.801034 11.58055 9.916008 
1 1 1  -14   14    3 o 42.17664 2.637944  20.97917 1.787500   20.20000 3.300000   21.90000 3.900000   41.41214 3.479573   42.94113   3.965801 -1.528988 5.275888 
1 1 1  -14   14    4 f 25.02394 4.541372  8.172000 1.874667   9.800000 3.700000   6.500000 3.800000   27.65227 6.013930   22.39561   6.806531 5.256659 9.082744 
1 1 1  -14   14    5 o 24.43654 4.293873  7.550000 1.663235   6.100000 2.900000   9.500000 3.900000   21.84056 5.727357   27.03251   6.398965 -5.191952 8.587746 
1 1 1  -14   14    6 o 21.28014 4.145025  4.640000 2.040000   10.60000 3.400000  -4.300000 5.100000   29.04237 5.307533   13.51790   6.368283 15.52447 8.290051 
1 1 1  -14   14    7 o 34.80556 2.883146  14.48769 1.621538   15.90000 3.400000   13.20000 3.100000   36.42430 4.075937   33.18684   4.078829 3.237461 5.766291 
1 1 1  -14   14    8 o 14.50223 4.642958 -1.407527 2.279570  -3.300000 4.000000   1.100000 5.300000   12.01364 5.653605   16.99081   7.366478 -4.977173 9.285916 
1 1 1  -14   14    9 o 26.75163 4.162020  9.654166 1.787500   11.90000 3.300000   7.000000 3.900000   31.02462 4.644587   22.47865   6.907782 8.545979 8.324040 
1 1 1  -14   14   10 o 11.54233 3.810269 -2.601408 1.771831  -1.500000 3.400000  -3.800000 3.700000   12.00403 5.495485   11.08063   5.279418 0.9233999 7.620539 
1 1 1  -14   14   11 o 13.74597 3.550034      0.07 1.406557   4.000000 2.200000  -6.900000 3.900000   17.53938 5.143269   9.952560   4.894665 7.586821 7.100068 
1 1 1  -14   14   12 o 13.84000 4.385113 -0.4999999 2.057143   1.000000 3.600000  -2.500000 4.800000   14.26409 6.127154   13.41592   6.274938 0.8481665 8.770226 
1 1 1  -14   14   13 o 24.82988 4.356902  8.659155 1.766197   10.10000 3.300000   7.000000 3.800000   27.57506 5.418861   22.08469   6.823951 5.490364 8.713803 
1 1 1  -14   14   14 o 21.01263 4.867110  6.009091 1.807792   3.900000 2.900000   9.500000 4.800000   17.19298 5.995267   24.83228   7.668885 -7.639307 9.734220 
1 1 1  -14   14   15 f 15.58061 4.119130  1.690909 1.636364  -2.400000 3.000000   6.600000 3.600000   10.23044 4.839253   20.93077   6.667125 -10.70033 8.238260 
1 1 1  -13    1    1 o 353.4741 3.354752  1440.887 17.39514   1468.900 27.90000   1394.500 46.20000   358.1135 3.401914   348.8348   5.783116 9.278656 6.709504 
1 1 1  -13    1    2 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -13    1    3 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -13    1    4 o 228.0595 2.531156  595.8661 8.755465   594.9000 22.10000   596.5000 14.50000   227.8958 4.234437   228.2232   2.774265 -0.3274231 5.062312 
1 1 1  -13    1    5 o 219.4778 1.900092  550.9056 6.726296   537.5000 12.70000   566.0000 14.30000   216.6445 2.559739   222.3112   2.808759 -5.666672 3.800183 
1 1 1  -13    1    6 o 654.6903 7.395073  4920.271 78.39921   4976.400 157.3000   4864.500 156.3000   658.4167 10.43200   650.9639   10.48436 7.452820 14.79015 
1 1 1  -13    1    7 o 365.2061 3.153553  1528.089 18.64946   1507.500 37.10000   1548.900 37.50000   362.7323 4.466089   367.6800   4.453496 -4.947693 6.307105 
1 1 1  -13    1    8 o 144.2483 2.149252  238.3000 7.100000   238.3000 7.100000          ?        ?   144.2483 2.149252          ?          ?       ?       ? 
1 1 1  -13    1    9 o 301.9889 2.658626  1044.548 12.98769   1059.700 26.80000   1030.300 25.20000   304.1084 3.848098   299.8694   3.669510 4.238922 5.317251 
1 1 1  -13    1   10 o 325.3235 2.951585  1211.651 15.52283   1249.000 32.40000   1177.300 29.80000   330.1241 4.285559   320.5228   4.059729 9.601257 5.903170 
1 1 1  -13    1   11 o 217.4378 2.528334  538.1372 7.873256   529.2000 12.20000   554.4000 22.20000   214.9453 2.478401   219.9304   4.407654 -4.985062 5.056667 
1 1 1  -13    1   12 o 108.6461 1.625450  135.6636 2.545455   136.9000 4.000000   133.5000 7.000000   109.3357 1.597488   107.9565   2.831321 1.379280 3.250900 
1 1 1  -13    1   13 o 422.0212 4.149887  2045.553 25.30741   2053.600 39.80000   2031.500 69.50000   423.3293 4.105296   420.7130   7.213375 2.616272 8.299773 
1 1 1  -13    1   14 o 480.9361 4.657373  2661.872 32.20552   2685.600 50.50000   2620.100 88.90000   484.1051 4.555032   477.7672   8.125033 6.337891 9.314746 
1 1 1  -13    1   15 o 477.3002 4.666179  2630.812 32.66053   2686.000 52.40000   2539.500 86.70000   484.1536 4.725936   470.4469   8.047263 13.70670 9.332358 
1 1 1  -13    1   16 o 315.9628 3.397778  1127.754 16.36046   1065.000 26.80000   1226.100 42.00000   304.8890 3.838245   327.0366   5.607802 -22.14752 6.795555 
1 1 1  -13    1   17 o 248.7426 2.592748  716.9935 9.561291   743.2000 15.60000   675.5000 24.70000   254.7192 2.674254   242.7661   4.442718 11.95319 5.185496 
1 1 1  -13    1   18 o 210.2939 2.351892  499.5637 7.314650   478.1000 11.60000   536.2000 19.80000   204.2975 2.479332   216.2903   3.997310 -11.99286 4.703783 
1 1 1  -13    1   19 o 295.5826 3.118547  988.9950 13.03674   958.3000 19.90000   1047.300 37.80000   289.1672 3.004995   301.9979   5.465470 -12.83069 6.237095 
1 1 1  -13    1   20 o 351.3894 3.690444  1439.088 18.75274   1499.000 29.90000   1338.300 50.30000   361.5876 3.610749   341.1912   6.437390 20.39639 7.380888 
1 1 1  -13    1   21 o 111.3787 1.722896  141.6459 2.911475   139.6000 4.800000   144.8000 7.400000   110.3819 1.898817   112.3755   2.875410 -1.993629 3.445793 
1 1 1  -13    1   22 o 86.53773 1.657122  83.63261 2.143478   76.50000 3.400000   95.80000 5.800000   81.70069 1.817159   91.37477   2.771669 -9.674080 3.314245 
1 1 1  -13    1   23 o 89.11639 1.989760  89.21416 2.612389   83.30000 4.100000   99.60000 7.200000   85.20728 2.101101   93.02551   3.379638 -7.818230 3.979520 
1 1 1  -13    1   24 o 91.32940 1.838338  94.83178 2.528972   91.00000 4.100000   101.0000 6.600000   89.02969 2.010892   93.62910   3.078029 -4.599411 3.676677 
1 1 1  -13    1   25 o 48.53533 2.104594  27.28462 1.578462   27.70000 2.700000   26.70000 3.800000   49.05115 2.403556   48.01952   3.455457 1.031631 4.209188 
1 1 1  -13    1   26 o 12.46621 3.956198 -1.760274 1.643836  0.5000000 2.500000  -6.100000 4.800000   12.52932 5.229591   12.40310   5.937794 0.1262169 7.912396 
1 1 1  -13    1   27 o 65.83673 2.119877  49.98315 2.101124   47.50000 3.400000   54.00000 5.500000   64.00105 2.319698   67.67240   3.548876 -3.671349 4.239755 
1 1 1  -13    1   28 o 12.24865 3.935019 -1.314706 1.686765  -2.500000 3.100000  0.1000000 3.700000   10.67272 5.008044   13.82459   6.070995 -3.151875 7.870037 
1 1 1  -13    1   29 o 10.82318 3.639108 -4.153846 1.765385 -0.9000000 2.700000  -10.30000 5.100000   10.95736 4.970210   10.68900   5.316903 0.2683582 7.278217 
1 1 1  -13    1   30 o 27.56812 4.709593  11.93516 2.195604   14.70000 3.700000   7.900000 5.400000   33.50433 4.822148   21.63191   8.091228 11.87241 9.419187 
1 1 1  -13    3    1 o 187.0875 1.823755  400.9163 5.524887   408.4000 11.10000   393.5000 11.00000   188.8260 2.566852   185.3490   2.591447 3.477097 3.647509 
1 1 1  -13    3    2 o 107.8989 1.115918  133.2564 1.948718   137.0000 4.000000   129.7000 3.800000   109.3757 1.596904   106.4221   1.559163 2.953636 2.231836 
1 1 1  -13    3    3 o 185.3423 1.774082  393.2958 5.322065   384.8000 10.40000   402.2000 10.90000   183.2937 2.477567   187.3908   2.539907 -4.097107 3.548164 
1 1 1  -13    3    4 o 273.0350 2.397393  853.9233 10.59788   863.0000 21.50000   845.1000 20.90000   274.4646 3.420518   271.6055   3.360063 2.859039 4.794785 
1 1 1  -13    3    5 o 410.9405 3.433373  1934.718 22.83676   1878.700 44.60000   1993.500 46.80000   404.8514 4.810375   417.0296   4.900255 -12.17816 6.866746 
1 1 1  -13    3    6 o 283.5540 2.548084  921.0054 11.69466   932.7000 23.90000   909.8000 22.90000   285.3137 3.657758   281.7944   3.548484 3.519257 5.096169 
1 1 1  -13    3    7 o 241.2972 2.220592  666.6735 8.662825   677.1000 18.00000   657.0000 16.70000   243.1118 3.233004   239.4827   3.044963 3.629089 4.441184 
1 1 1  -13    3    8 o 383.3786 3.326166  1684.217 20.63789   1713.100 42.30000   1656.700 40.30000   386.5807 4.777931   380.1765   4.628705 6.404205 6.652332 
1 1 1  -13    3    9 o 94.96703 1.170376  103.2306 1.798611   105.8000 3.700000   100.8000 3.500000   96.11615 1.680912   93.81790   1.629004 2.298248 2.340752 
1 1 1  -13    3   10 o 277.4770 2.593469  882.1152 11.64227   880.8000 22.70000   883.5000 23.90000   277.2688 3.574905   277.6852   3.758243 -0.4164429 5.186939 
1 1 1  -13    3   11 o 275.9085 2.602468  871.9194 11.61290   863.5000 22.50000   880.9000 24.00000   274.5366 3.578672   277.2803   3.779478 -2.743713 5.204935 
1 1 1  -13    3   12 o 333.9241 2.967972  1277.333 16.03738   1307.300 33.00000   1249.000 31.20000   337.7273 4.266654   330.1209   4.126874 7.606354 5.935944 
1 1 1  -13    3   13 o 397.7984 4.094504  1815.778 25.43579   1823.100 44.10000   1805.800 60.10000   398.8284 4.828277   396.7683   6.614198 2.060089 8.189009 
1 1 1  -13    3   14 o 139.4854 1.914724  225.5082 4.212353   245.8000 7.700000   201.0000 9.300000   146.5006 2.295044   132.4701   3.065524 14.03047 3.829447 
1 1 1  -13    3   15 o 580.4792 4.864370  3864.157 45.70421   3814.000 89.50000   3916.500 93.40000   576.6455 6.777255   584.3129   6.979770 -7.667358 9.728740 
1 1 1  -13    3   16 o 237.8681 2.375314  648.0267 9.145629   635.8000 17.90000   660.8000 18.70000   235.5762 3.317884   240.1600   3.400014 -4.583710 4.750627 
1 1 1  -13    3   17 o 287.8132 2.660940  949.1597 12.39274   943.5000 24.20000   955.1000 25.40000   286.9388 3.682696   288.6875   3.841894 -1.748749 5.321879 
1 1 1  -13    3   18 o 103.7242 1.600016  122.5850 2.622430   118.2000 4.600000   128.4000 6.100000   101.5833 1.977311   105.8650   2.516038 -4.281631 3.200032 
1 1 1  -13    3   19 o 234.5284 2.805596  627.2602 9.239120   619.4000 14.10000   642.2000 26.80000   232.5036 2.648068   236.5533   4.947041 -4.049713 5.611193 
1 1 1  -13    3   20 o 231.2592 2.402385  615.0598 8.374359   620.8000 13.80000   606.2000 21.30000   232.7213 2.589301   229.7972   4.047386 2.924179 4.804770 
1 1 1  -13    3   21 o 204.2987 2.280150  474.2815 6.666781   462.5000 10.30000   495.9000 18.90000   200.8611 2.239139   207.7363   3.972731 -6.875122 4.560299 
1 1 1  -13    3   22 o 122.4930 1.883572  173.4500 3.375000   176.9000 5.400000   167.7000 9.000000   124.2090 1.898368   120.7769   3.253856 3.432106 3.767145 
1 1 1  -13    3   23 o 80.32118 1.547411  73.69500 1.955000   71.40000 3.400000   76.80000 4.600000   78.88567 1.882004   81.75669   2.456825 -2.871017 3.094823 
1 1 1  -13    3   24 o 176.8063 2.225339  365.1775 5.706148   377.0000 9.100000   345.3000 15.30000   181.0731 2.194458   172.5394   3.872066 8.533661 4.450678 
1 1 1  -13    3   25 o 23.72532 4.071050  6.922581 1.535484   6.200000 2.800000   7.800000 3.400000   22.40504 5.498079   25.04560   6.005409 -2.640558 8.142100 
1 1 1  -13    3   26 o 80.53934 1.821101  74.44624 2.182796   72.00000 3.500000   78.50000 5.800000   79.01682 1.934141   82.06185   3.086217 -3.045029 3.642202 
1 1 1  -13    3   27 o 16.70758 4.481453  2.786567 1.540299   2.500000 2.400000   3.300000 4.300000   15.12751 5.437150   18.28765   7.125383 -3.160131 8.962906 
1 1 1  -13    3   28 o 15.14000 4.198792  2.280000 1.440000   2.000000 2.400000   2.700000 3.600000   13.98858 5.357091   16.29143   6.466916 -2.302850 8.397585 
1 1 1  -13    3   29 o 27.76233 3.751031  10.19846 1.593846   10.50000 2.800000   9.800000 3.700000   29.05664 4.207774   26.46802   6.210925 2.588615 7.502063 
1 1 1  -13    5    1 o 314.9141 2.843836  1135.133 14.46621   1107.200 27.60000   1165.900 30.40000   310.8550 3.876957   318.9732   4.161588 -8.118195 5.687672 
1 1 1  -13    5    2 o 188.3837 1.901129  406.3056 5.796121   397.1000 11.30000   416.0000 11.90000   186.1948 2.650029   190.5725   2.726631 -4.377747 3.802259 
1 1 1  -13    5    3 o 250.9578 2.405646  721.3348 9.767263   729.2000 20.10000   713.9000 19.00000   252.2852 3.478916   249.6303   3.323502 2.654907 4.811291 
1 1 1  -13    5    4 o 339.3903 3.012627  1320.400 16.55000   1365.700 33.10000   1275.100 33.10000   345.2185 4.186717   333.5620   4.333024 11.65652 6.025255 
1 1 1  -13    5    5 o 169.4318 1.704541  328.8080 4.671658   329.1000 9.100000   328.5000 9.600000   169.5103 2.344148   169.3533   2.475240 0.1569672 3.409082 
1 1 1  -13    5    6 o 264.8783 2.342963  803.6403 10.04776   793.1000 19.80000   814.5000 20.40000   263.1162 3.285922   266.6404   3.340750 -3.524109 4.685925 
1 1 1  -13    5    7 o 177.2525 1.767950  359.6956 5.071921   351.6000 9.900000   368.2000 10.40000   175.2089 2.467281   179.2961   2.532808 -4.087173 3.535900 
1 1 1  -13    5    8 o 214.5073 1.971835  526.8533 6.846715   513.6000 13.40000   540.7000 14.00000   211.7506 2.763248   217.2639   2.813715 -5.513367 3.943670 
1 1 1  -13    5    9 o 244.9664 2.212041  687.4077 8.774359   676.7000 17.40000   698.3000 17.70000   243.0422 3.126131   246.8905   3.130463 -3.848267 4.424081 
1 1 1  -13    5   10 o 43.40257 1.607564  22.18372 1.027907   24.20000 1.700000   19.10000 2.600000   45.96963 1.614796   40.83549   2.780195 5.134136 3.215128 
1 1 1  -13    5   11 o 355.4043 3.114009  1444.470 17.86639   1512.500 37.90000   1383.800 33.80000   363.2953 4.555322   347.5132   4.247027 15.78207 6.228017 
1 1 1  -13    5   12 o 190.7041 2.249070  417.0657 6.673357   419.5000 11.50000   413.7000 15.90000   191.3794 2.623871   190.0289   3.653569 1.350510 4.498139 
1 1 1  -13    5   13 o 293.5326 2.656905  987.2988 12.62099   995.5000 24.80000   978.8000 25.70000   294.7775 3.673644   292.2877   3.839391 2.489868 5.313811 
1 1 1  -13    5   14 o 333.7876 2.974356  1276.928 16.07310   1269.700 32.50000   1284.000 31.80000   332.8492 4.263591   334.7260   4.148369 -1.876831 5.948712 
1 1 1  -13    5   15 o 559.7615 4.707952  3596.160 42.66269   3631.500 86.80000   3562.000 83.90000   562.4490 6.738703   557.0741   6.576407 5.374878 9.415904 
1 1 1  -13    5   16 o 105.2539 1.512096  126.8612 2.568932   126.1000 4.900000   127.7000 5.400000   104.9238 2.039210   105.5840   2.233240 -0.6602249 3.024192 
1 1 1  -13    5   17 o 195.2334 2.036603  434.4342 6.331518   415.0000 11.30000   459.2000 14.40000   190.3102 2.592723   200.1567   3.141464 -9.846527 4.073206 
1 1 1  -13    5   18 o 126.8964 1.581644  184.4846 3.249231   185.5000 6.600000   183.5000 6.400000   127.2393 2.264969   126.5535   2.208236 0.6858368 3.163288 
1 1 1  -13    5   19 o 155.5811 2.007784  277.5233 5.032178   278.0000 10.70000   277.1000 9.500000   155.6947 3.000887   155.4675   2.668234 0.2272491 4.015569 
1 1 1  -13    5   20 o 88.99477 1.772588  90.92648 2.546078   92.80000 4.900000   88.90000 5.300000   89.95728 2.378480   88.03225   2.628898 1.925034 3.545176 
1 1 1  -13    5   21 o 49.63751 2.304358  28.28108 1.837838   29.20000 4.000000   27.50000 3.400000   50.36670 3.467817   48.90831   3.035540 1.458389 4.608716 
1 1 1  -13    5   22 o 39.12730 2.817634  17.77606 1.774648   19.60000 3.500000   15.90000 3.600000   41.19725 3.709707   37.05737   4.241971 4.139881 5.635268 
1 1 1  -13    5   23 o 54.51163 2.321104  34.42469 1.987654   34.90000 3.500000   33.80000 4.600000   55.02082 2.777670   54.00245   3.719496 1.018372 4.642209 
1 1 1  -13    5   24 o 57.28273 1.752307  38.26406 1.585938   41.30000 2.900000   34.60000 3.500000   59.87884 2.114776   54.68663   2.794644 5.192207 3.504613 
1 1 1  -13    5   25 o 14.62819 4.508889      0.05 1.794872 -0.7000000 2.800000   1.400000 5.000000   11.77210 5.220354   17.48427   7.353111 -5.712178 9.017778 
1 1 1  -13    5   26 o 38.49186 3.155508  16.67848 1.777215   13.50000 2.700000   22.80000 5.200000   33.82724 3.485274   43.15648   5.261348 -9.329235 6.311016 
1 1 1  -13    5   27 f 35.70700 2.953072  15.43636 1.527273   15.00000 2.400000   16.20000 4.200000   35.59436 2.944217   35.81964   5.119974 -0.2252884 5.906145 
1 1 1  -13    5   28 o 21.29818 4.661288  6.341772 1.744304   7.000000 2.600000   5.000000 5.300000   23.01340 5.070100   19.58297   7.823332 3.430435 9.322577 
1 1 1  -13    7    1 o 378.0623 3.303604  1638.032 20.22497   1623.700 40.40000   1652.400 40.50000   376.4053 4.686680   379.7193   4.657276 -3.314026 6.607208 
1 1 1  -13    7    2 o 88.59950 1.289737  89.59730 1.837838   94.30000 4.000000   85.60000 3.400000   90.74247 1.924815   86.45653   1.717200 4.285942 2.579475 
1 1 1  -13    7    3 o 264.9622 2.470423  803.7441 10.58844   822.7000 21.90000   786.0000 20.50000   267.9824 3.568433   261.9419   3.417343 6.040466 4.940845 
1 1 1  -13    7    4 o 101.9109 1.227018  118.9198 2.024691   121.4000 4.100000   116.5000 4.000000   102.9605 1.738813   100.8613   1.731710 2.099228 2.454036 
1 1 1  -13    7    5 o 500.5240 4.164617  2871.909 33.72859   2891.900 69.20000   2852.900 65.80000   502.2090 6.016741   498.8391   5.759770 3.369843 8.329233 
1 1 1  -13    7    6 o 106.2778 1.235479  129.3482 2.122353   129.3000 4.100000   129.4000 4.400000   106.2577 1.684857   106.2980   1.807455 -0.4021454E-01 2.470958 
1 1 1  -13    7    7 o 184.9283 2.341669  390.0956 6.615942   400.2000 16.60000   383.4000 11.00000   186.8969 3.878339   182.9596   2.625289 3.937241 4.683338 
1 1 1  -13    7    8 o 347.1863 3.108669  1381.217 17.46896   1379.500 34.30000   1383.000 35.60000   346.9710 4.316588   347.4017   4.474636 -0.4307556 6.217339 
1 1 1  -13    7    9 o 161.0364 1.677375  296.5046 4.363429   309.7000 9.200000   284.6000 8.300000   164.4374 2.443019   157.6354   2.299132 6.802017 3.354750 
1 1 1  -13    7   10 o 498.7900 4.178320  2852.417 33.72600   2909.500 69.30000   2798.300 65.70000   503.6349 6.008376   493.9450   5.807998 9.689941 8.356640 
1 1 1  -13    7   11 o 172.9596 1.812233  342.1783 5.060099   353.3000 10.70000   332.2000 9.600000   175.6198 2.660419   170.2995   2.461487 5.320251 3.624466 
1 1 1  -13    7   12 o 112.7873 2.013181  145.7000 5.200000   145.7000 5.200000          ?        ?   112.7873 2.013181          ?          ?       ?       ? 
1 1 1  -13    7   13 o 12.95025 3.869541 -0.1210526 1.424561  -1.300000 2.800000   1.100000 2.900000   11.50166 5.152324   14.39883   5.774681 -2.897171 7.739081 
1 1 1  -13    7   14 o 358.0469 3.294610  1471.289 19.09791   1462.700 38.60000   1479.700 37.80000   357.0020 4.721243   359.0918   4.596487 -2.089783 6.589220 
1 1 1  -13    7   15 o 164.8737 1.856270  311.0545 4.925252   305.2000 9.200000   317.8000 10.60000   163.2127 2.461352   166.5347   2.779335 -3.321976 3.712541 
1 1 1  -13    7   16 o 187.2820 2.118747  402.1389 6.424124   388.5000 12.70000   416.1000 13.00000   184.0675 3.012772   190.4965   2.979861 -6.429016 4.237495 
1 1 1  -13    7   17 o 90.21702 1.523572  93.16517 2.217978   90.90000 4.200000   95.70000 4.700000   89.06010 2.059234   91.37394   2.246028 -2.313843 3.047144 
1 1 1  -13    7   18 o 67.82109 1.842589  52.12222 2.000000   64.40000 4.500000   42.30000 3.600000   74.92089 2.622704   60.72130   2.588816 14.19959 3.685179 
1 1 1  -13    7   19 o 106.0861 1.698150  129.2724 2.868965   128.5000 6.400000   129.9000 5.200000   105.7701 2.642145   106.4020   2.133994 -0.6319046 3.396301 
1 1 1  -13    7   20 o 71.70541 1.676448  58.50769 1.929487   50.70000 3.500000   68.10000 4.300000   66.43297 2.300510   76.97785   2.439172 -10.54488 3.352895 
1 1 1  -13    7   21 o 39.01222 2.523445  17.01250 1.543750   12.30000 2.600000   23.90000 3.800000   32.60237 3.482281   45.42208   3.653056 -12.81971 5.046890 
1 1 1  -13    7   22 o 44.08236 2.666147  22.66974 1.898684   21.90000 3.900000   23.40000 3.700000   43.31904 3.931203   44.84568   3.602639 -1.526642 5.332295 
1 1 1  -13    7   23 o 43.80687 2.427736  21.91884 1.663768   19.20000 2.800000   25.90000 4.100000   40.63470 3.008851   46.97903   3.810829 -6.344334 4.855472 
1 1 1  -13    7   24 o 19.92455 4.471124  4.642466 1.808219   7.400000 3.300000   1.300000 4.000000   23.99596 6.016249   15.85315   6.615779 8.142803 8.942247 
1 1 1  -13    7   25 o 28.02485 3.822532  9.970149 1.611940   8.600000 2.700000   12.00000 4.000000   26.03520 4.701385   30.01449   6.028597 -3.979288 7.645064 
1 1 1  -13    7   26 o 35.21210 3.240395  15.38649 1.816216   17.60000 4.200000   13.70000 3.200000   37.16659 4.934422   33.25762   4.201444 3.908974 6.480791 
1 1 1  -13    7   27 o 20.50634 5.070537  6.254762 2.080952   4.400000 3.800000   8.500000 4.600000   17.90038 6.768085   23.11230   7.552111 -5.211924 10.14107 
1 1 1  -13    9    1 o 12.25626 3.896616 -1.671875 1.560938  -2.600000 2.700000 -0.4000000 3.700000   10.14613 4.732484   14.36640   6.191773 -4.220263 7.793232 
1 1 1  -13    9    2 o 316.5701 2.770255  1148.991 14.19560   1152.400 28.90000   1145.700 27.90000   317.0249 3.980560   316.1154   3.853881 0.9095459 5.540511 
1 1 1  -13    9    3 o 94.16615 1.546561  101.8511 2.348936   108.8000 4.600000   94.60000 4.800000   97.45927 2.060983   90.87304   2.306460 6.586235 3.093122 
1 1 1  -13    9    4 o 91.25669 1.590264  95.39999 2.350000   96.20000 4.700000   94.60000 4.700000   91.63949 2.239520   90.87389   2.258387 0.7655945 3.180528 
1 1 1  -13    9    5 o 143.7226 1.708275  236.5730 3.971069   239.1000 8.200000   234.2000 7.700000   144.4648 2.478515   142.9805   2.351547 1.484253 3.416549 
1 1 1  -13    9    6 o 269.5908 2.519371  831.9000 10.97250   865.5000 23.10000   801.5000 20.90000   274.7582 3.671140   264.4235   3.451326 10.33475 5.038742 
1 1 1  -13    9    7 f 125.6019 1.598697  180.8000 3.249231   177.5000 6.600000   184.0000 6.400000   124.4711 2.315342   126.7328   2.205112 -2.261681 3.197394 
1 1 1  -13    9    8 o 401.6479 3.504758  1851.753 22.73326   1852.900 47.50000   1850.700 43.60000   401.7251 5.163026   401.5708   4.740936 0.1542969 7.009516 
1 1 1  -13    9    9 o 340.3352 3.007947  1328.210 16.56139   1315.000 32.20000   1342.200 34.10000   338.6069 4.152406   342.0635   4.352987 -3.456604 6.015893 
1 1 1  -13    9   10 o 128.9622 1.700967  190.5909 3.547183   192.0000 6.900000   189.1000 7.300000   129.4552 2.327391   128.4691   2.481211 0.9860535 3.401934 
1 1 1  -13    9   11 o 115.1422 1.711629  152.1535 3.151181   154.3000 5.800000   149.6000 6.900000   116.0419 2.182493   114.2424   2.637312 1.799500 3.423257 
1 1 1  -13    9   12 o 209.6156 2.129236  503.5132 7.210381   512.5000 15.10000   495.3000 13.80000   211.3933 3.119072   207.8379   2.899306 3.555420 4.258472 
1 1 1  -13    9   13 o 107.2858 1.663561  131.7974 2.838261   130.6000 5.100000   133.3000 6.400000   106.7497 2.086139   107.8219   2.591866 -1.072227 3.327123 
1 1 1  -13    9   14 f 114.1416 1.732852  149.5195 3.199219   153.9000 6.300000   145.0000 6.500000   115.8468 2.374631   112.4365   2.524328 3.410332 3.465705 
1 1 1  -13    9   15 o 44.37312 2.504957  22.63750 1.798611   23.10000 3.700000   22.20000 3.500000   44.81038 3.605478   43.93585   3.478474 0.8745308 5.009915 
1 1 1  -13    9   16 o 91.41104 1.792539  95.44434 2.616038   90.70000 4.700000   101.4000 5.900000   88.88700 2.308869   93.93508   2.742609 -5.048080 3.585077 
1 1 1  -13    9   17 o 75.77776 1.861274  66.23186 2.272527   70.10000 4.400000   62.10000 4.700000   78.09354 2.460239   73.46198   2.793669 4.631561 3.722548 
1 1 1  -13    9   18 o 50.32513 2.263813  29.22740 1.783562   29.10000 3.100000   29.40000 4.200000   50.25885 2.693325   50.39141   3.639422 -0.1325607 4.527626 
1 1 1  -13    9   19 o 59.79705 2.272987  41.40682 2.198864   41.10000 4.500000   41.70000 4.300000   59.56287 3.298957   60.03123   3.127742 -0.4683609 4.545975 
1 1 1  -13    9   20 o 16.85931 4.536271  2.418841 1.681159   1.200000 2.900000   4.100000 4.000000   14.22143 5.749544   19.49719   7.018103 -5.275761 9.072542 
1 1 1  -13    9   21 o 96.82930 1.902014  108.9824 2.973109   96.70000 5.800000   121.9000 6.100000   91.18304 2.777497   102.4755   2.599257 -11.29250 3.804028 
1 1 1  -13    9   22 o 38.62243 3.250619  17.83500 1.980000   12.30000 3.600000   24.60000 4.400000   31.85862 4.934183   45.38623   4.233195 -13.52761 6.501238 
1 1 1  -13    9   23 o 12.94842 3.815498 0.2535715 1.383929   2.800000 3.100000  -1.800000 2.500000   16.03846 6.101207   9.858382   4.583379 6.180076 7.630995 
1 1 1  -13    9   24 o 16.88857 4.359380  3.376923 1.624615   1.600000 3.300000   5.100000 3.200000   14.50956 6.028167   19.26759   6.299046 -4.758038 8.718760 
1 1 1  -13    9   25 o 24.24596 5.057656  8.923530 2.058824   7.400000 3.500000   11.10000 5.000000   22.35557 6.467793   26.13635   7.777351 -3.780783 10.11531 
1 1 1  -13   11    1 o 84.27379 1.802301  81.64082 2.440816   83.80000 4.600000   79.20000 5.200000   85.47563 2.349932   83.07195   2.733308 2.403679 3.604602 
1 1 1  -13   11    2 o 96.25151 1.845146  106.3174 2.874783   104.3000 5.800000   108.3000 5.700000   95.34255 2.656323   97.16047   2.561680 -1.817917 3.690293 
1 1 1  -13   11    3 o 93.15550 1.793676  99.48704 2.685185   98.70000 5.000000   100.4000 5.800000   92.76952 2.353447   93.54150   2.707469 -0.7719803 3.587353 
1 1 1  -13   11    4 o 41.42097 2.988195  19.68500 1.980000   20.40000 4.400000   19.10000 3.600000   42.08551 4.565200   40.75644   3.856967 1.329075 5.976391 
1 1 1  -13   11    5 o 74.68869 2.026775  64.05000 2.450000   66.50000 4.900000   61.60000 4.900000   76.12104 2.810807   73.25633   2.920725 2.864708 4.053550 
1 1 1  -13   11    6 o 111.9909 1.686229  144.1475 3.049180   153.0000 6.000000   135.0000 6.200000   115.5032 2.268282   108.4786   2.495670 7.024529 3.372458 
1 1 1  -13   11    7 o 66.36134 2.416041  50.17885 2.575961   43.40000 4.700000   58.40000 5.700000   61.45108 3.339704   71.27161   3.492191 -9.820522 4.832082 
1 1 1  -13   11    8 o 79.74406 1.878903  72.54433 2.393815   68.20000 4.300000   78.00000 5.400000   77.08586 2.435754   82.40228   2.861503 -5.316414 3.757805 
1 1 1  -13   11    9 o 49.59777 2.895518  28.21505 2.311828   24.10000 4.300000   33.00000 5.000000   45.70753 4.107905   53.48801   4.081814 -7.780479 5.791035 
1 1 1  -13   11   10 o 20.88117 4.470393  4.988571 1.737143   7.000000 3.200000   2.600000 3.800000   24.05438 5.862420   17.70796   6.750533 6.346420 8.940786 
1 1 1  -13   11   11 o 72.28780 1.782648  60.03374 2.050602   60.20000 4.600000   59.90000 3.700000   72.35067 2.776227   72.22494   2.236940 0.1257324 3.565296 
1 1 1  -13   11   12 o 34.22685 3.312210  13.06712 1.673972   11.50000 2.600000   15.90000 4.700000   31.55865 3.597449   36.89506   5.562491 -5.336407 6.624421 
1 1 1  -13   11   13 o 56.25170 1.899592  36.50869 1.721739   35.10000 3.600000   37.80000 3.300000   55.18999 2.848274   57.31341   2.514186 -2.123417 3.799184 
1 1 1  -13   11   14 o 46.26379 2.621796  25.10130 1.898701   27.00000 3.400000   22.70000 4.300000   48.35651 3.070179   44.17107   4.250796 4.185444 5.243593 
1 1 1  -13   11   15 o 57.21846 2.085964  37.99221 1.924675   41.20000 3.800000   34.70000 3.900000   59.70639 2.779089   54.73052   3.111536 4.975876 4.171929 
1 1 1  -13   11   16 o 57.05234 2.214642  37.99012 2.009876   40.00000 3.700000   35.60000 4.400000   58.80093 2.747624   55.30376   3.474063 3.497169 4.429284 
1 1 1  -13   11   17 f 16.48598 4.630774  2.104000 1.818667   2.600000 3.100000   1.400000 4.400000   16.28660 6.122934   16.68536   6.948808 -0.3987617 9.261547 
1 1 1  -13   11   18 o 14.80537 4.067885 0.1923079 1.606154   4.900000 3.600000  -3.600000 2.900000   19.91753 6.687268   9.693206   4.633704 10.22432 8.135771 
1 1 1  -13   11   19 o 37.24934 2.828325  16.62353 1.694118   13.80000 3.200000   19.80000 3.600000   33.83964 4.129181   40.65904   3.866206 -6.819401 5.656650 
1 1 1  -13   11   20 o 16.12720 4.246492  2.533333 1.612121   0.000000 3.800000   4.400000 2.800000   13.89396 6.125269   18.36044   5.883183 -4.466475 8.492984 
1 1 1  -13   11   21 o 15.78880 4.679686  1.977778 2.017284   2.400000 3.800000   1.500000 4.300000   15.96220 6.533386   15.61540   6.701694 0.3467970 9.359372 
1 1 1  -13   11   22 o 30.64528 4.230921  13.08293 2.048780   11.70000 4.200000   14.40000 4.000000   28.31490 6.599064   32.97567   5.296709 -4.660767 8.461842 
1 1 1  -13   13    1 o 47.07790 2.638504  25.95750 1.998750   28.20000 3.900000   23.60000 4.100000   49.23291 3.458987   44.92290   3.985252 4.310005 5.277009 
1 1 1  -13   13    2 o 17.41808 4.818195  2.478481 1.883544   2.400000 3.100000   2.600000 4.800000   16.17043 6.113246   18.66572   7.449042 -2.495285 9.636390 
1 1 1  -13   13    3 o 33.55570 5.017952  14.71698 2.555660   17.80000 4.300000   10.20000 6.300000   38.84148 4.834064   28.26991   8.794954 10.57157 10.03590 
1 1 1  -13   13    4 o 28.33887 4.705253  9.923530 2.058824   9.100000 3.500000   11.10000 5.000000   27.12945 5.808573   29.54830   7.403925 -2.418850 9.410506 
1 1 1  -13   13    5 o 62.25942 1.934097  44.79230 1.948718   42.60000 3.800000   47.10000 4.000000   60.69708 2.733729   63.82177   2.736723 -3.124687 3.868195 
1 1 1  -13   13    6 o 44.95807 2.643139  24.18649 1.816216   27.30000 3.200000   20.10000 4.200000   48.55952 2.877500   41.35661   4.434494 7.202908 5.286278 
1 1 1  -13   13    7 o 66.28282 2.338092  50.97500 2.475000   50.30000 4.500000   51.80000 5.500000   65.88537 2.982382   66.68027   3.601679 -0.7949066 4.676184 
1 1 1  -13   13    8 o 13.30544 4.143002 -0.7304348 1.695652  0.4000000 3.900000  -1.600000 3.000000   15.11231 6.431218   11.49858   5.224682 3.613733 8.286004 
1 1 1  -13   13    9 f 18.18635 4.481072  3.626866 1.567164   4.000000 2.500000   3.000000 4.200000   18.14466 5.522221   18.22804   7.058690 -0.8337975E-01 8.962144 
1 1 1  -13   13   10 o 14.80605 4.221256 0.3352113 1.757746  -3.400000 3.900000   3.400000 3.200000   12.04266 5.640102   17.56943   6.282139 -5.526770 8.442513 
1 1 1  -13   13   11 o 17.99973 3.909651  3.135484 1.548387   7.200000 3.000000  -1.200000 3.200000   23.85568 5.589062   12.14377   5.468444 11.71192 7.819303 
1 1 1  -13   13   12 o 13.85180 4.302697 -1.400000 1.938461  -4.400000 3.600000   2.100000 4.200000   10.76828 5.151756   16.93533   6.892910 -6.167053 8.605393 
1 1 1  -13   13   13 o 11.16090 3.569882 -1.489655 1.406897   0.000000 2.400000  -3.600000 3.400000   11.53231 4.978498   10.78948   5.117692 0.7428293 7.139763 
1 1 1  -13   13   14 o 14.98540 4.462571  1.166667 1.866667   2.100000 3.500000  0.1000000 4.000000   15.62896 6.317156   14.34185   6.304894 1.287105 8.925141 
1 1 1  -13   13   15 f 21.23251 5.098037  5.940476 2.023810   4.200000 3.400000   8.500000 5.000000   18.24344 6.480539   24.22157   7.871628 -5.978128 10.19607 
1 1 1  -13   13   16 o 27.16279 4.821597  10.42000 2.040000   9.500000 3.400000   11.80000 5.100000   26.45161 5.774621   27.87398   7.723014 -1.422363 9.643194 
1 1 1  -13   13   17 o 15.90278 4.783557  1.803530 2.018823  0.6000000 3.300000   3.700000 5.200000   13.44805 5.821598   18.35752   7.592013 -4.909472 9.567114 
1 1 1  -13   13   18 o 17.32395 4.212915  4.115254 1.423729   4.400000 2.400000   3.700000 3.500000   17.83311 5.406919   16.81479   6.462185 1.018322 8.425830 
1 1 1  -13   15    1 o 14.04481 4.524979 -1.200000 2.300000  -3.000000 4.600000  0.6000000 4.600000   12.86756 6.057693   15.22206   6.723547 -2.354495 9.049958 
1 1 1  -13   15    2 o 18.96184 4.807775  4.726582 1.949367   6.100000 3.500000   3.000000 4.400000   20.79767 6.568487   17.12601   7.022377 3.671667 9.615550 
1 1 1  -13   15    3 o 12.73459 3.958654     -0.02 1.470968  -1.300000 2.400000   2.000000 3.800000   9.939501 4.574866   15.52969   6.461762 -5.590185 7.917309 
1 1 1  -13   15    4 o 24.61070 5.168057  8.860000 2.232222   6.400000 4.100000   11.80000 4.900000   21.08783 7.136290   28.13356   7.477207 -7.045729 10.33611 
1 1 1  -13   15    5 o 15.28952 4.205378  1.262857 1.748571   5.100000 3.400000  -2.800000 3.600000   19.25576 6.498690   11.32327   5.339273 7.932497 8.410756 
1 1 1  -13   15    6 o 18.24763 4.952353  4.124390 2.006098   3.100000 3.500000   5.500000 4.700000   16.50659 6.429294   19.98868   7.534412 -3.482094 9.904705 
1 1 1  -13   15    7 o 15.68953 4.833314 0.7739583 2.373958   2.700000 4.300000  -1.600000 5.300000   16.75339 6.914199   14.62566   6.755558 2.127725 9.666629 
1 1 1  -13   15    8 o 12.88371 4.102414 -0.8698630 1.821918  -2.500000 3.500000  0.9000000 3.800000   11.32157 5.315335   14.44585   6.250314 -3.124277 8.204828 
1 1 1  -13   15    9 o 13.42230 4.103858 -0.1500000 1.750000   2.700000 3.500000  -3.000000 3.500000   15.88778 6.353830   10.95683   5.195715 4.930947 8.207717 
1 1 1  -13   15   10 o 11.40472 3.792850 -2.372222 1.794444  -2.900000 3.800000  -1.900000 3.400000   11.43777 5.420889   11.37167   5.306300 0.6610107E-01 7.585701 
1 1 1  -13   15   11 o 12.44613 4.179593 -3.162637 2.268132  -5.100000 4.300000  -1.000000 4.800000   11.04681 5.368958   13.84544   6.407050 -2.798630 8.359186 
1 1 1  -12    0    1 o 453.4042 7.352519  2357.100 76.30000   2357.100 76.30000   2357.100 76.30000   453.4042 7.352519   453.4042   7.352519 0.000000 0.000000 
1 1 1  -12    0    2 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -12    0    3 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -12    0    4 o 343.5881 4.017190  1352.600 31.60000   1352.600 31.60000   1352.600 31.60000   343.5881 4.017190   343.5881   4.017190 0.000000 0.000000 
1 1 1  -12    0    5 o 29.79258 1.028739  10.20000 0.7000000   10.20000 0.7000000   10.20000 0.7000000   29.79258 1.028739   29.79258   1.028739 0.000000 0.000000 
1 1 1  -12    0    6 o 46.78488 1.027780  25.10000 1.100000   25.10000 1.100000   25.10000 1.100000   46.78488 1.027780   46.78488   1.027780 0.000000 0.000000 
1 1 1  -12    0    7 o 592.2736 9.575202  4023.600 129.8000   4023.600 129.8000   4023.600 129.8000   592.2736 9.575202   592.2736   9.575202 0.000000 0.000000 
1 1 1  -12    0    8 f 182.5154 2.537086  381.7000 10.60000   381.7000 10.60000   381.7000 10.60000   182.5154 2.537086   182.5154   2.537086 0.000000 0.000000 
1 1 1  -12    0    9 o 177.4230 2.437529  360.7000 9.900000   360.7000 9.900000   360.7000 9.900000   177.4230 2.437529   177.4230   2.437529 0.000000 0.000000 
1 1 1  -12    0   10 o 12.02607 4.843312  2.300000 1.300000   2.300000 1.300000   2.300000 1.300000   12.02607 4.843312   12.02607   4.843312 0.000000 0.000000 
1 1 1  -12    0   11 f 310.2043 4.097846  1102.900 29.10000   1102.900 29.10000   1102.900 29.10000   310.2043 4.097846   310.2043   4.097846 0.000000 0.000000 
1 1 1  -12    0   12 o 429.5294 5.227028  2114.800 51.40000   2114.800 51.40000   2114.800 51.40000   429.5294 5.227028   429.5294   5.227028 0.000000 0.000000 
1 1 1  -12    0   13 o 223.0496 3.016045  570.1000 15.40000   570.1000 15.40000   570.1000 15.40000   223.0496 3.016045   223.0496   3.016045 0.000000 0.000000 
1 1 1  -12    0   14 o 495.1089 5.751997  2809.800 65.20000   2809.800 65.20000   2809.800 65.20000   495.1089 5.751997   495.1089   5.751997 0.000000 0.000000 
1 1 1  -12    0   15 o 382.9108 4.540072  1680.200 39.80000   1680.200 39.80000   1680.200 39.80000   382.9108 4.540072   382.9108   4.540072 0.000000 0.000000 
1 1 1  -12    0   16 f 332.1804 4.352730  1264.600 33.10000   1264.600 33.10000   1264.600 33.10000   332.1804 4.352730   332.1804   4.352730 0.000000 0.000000 
1 1 1  -12    0   17 f 392.6587 4.894735  1767.300 44.00000   1767.300 44.00000   1767.300 44.00000   392.6587 4.894735   392.6587   4.894735 0.000000 0.000000 
1 1 1  -12    0   18 o 30.01511 4.522030  11.00000 2.900000   11.00000 2.900000   11.00000 2.900000   30.01511 4.522030   30.01511   4.522030 0.000000 0.000000 
1 1 1  -12    0   19 o 301.9827 3.920053  1045.500 27.10000   1045.500 27.10000   1045.500 27.10000   301.9827 3.920053   301.9827   3.920053 0.000000 0.000000 
1 1 1  -12    0   20 o 34.38195 3.241229  13.90000 2.500000   13.90000 2.500000   13.90000 2.500000   34.38195 3.241229   34.38195   3.241229 0.000000 0.000000 
1 1 1  -12    0   21 o 111.8634 2.148700  143.5000 5.500000   143.5000 5.500000   143.5000 5.500000   111.8634 2.148700   111.8634   2.148700 0.000000 0.000000 
1 1 1  -12    0   22 f 107.9597 2.145563  133.7000 5.300000   133.7000 5.300000   133.7000 5.300000   107.9597 2.145563   107.9597   2.145563 0.000000 0.000000 
1 1 1  -12    0   23 o 38.11890 4.520370  17.40000 3.800000   17.40000 3.800000   17.40000 3.800000   38.11890 4.520370   38.11890   4.520370 0.000000 0.000000 
1 1 1  -12    0   24 o 95.18687 2.573172  104.2000 5.600000   104.2000 5.600000   104.2000 5.600000   95.18687 2.573172   95.18687   2.573172 0.000000 0.000000 
1 1 1  -12    0   25 o 22.52245 7.067106  7.400000 3.200000   7.400000 3.200000   7.400000 3.200000   22.52245 7.067106   22.52245   7.067106 0.000000 0.000000 
1 1 1  -12    0   26 o 8.964908 6.137212 -2.400000 4.000000  -2.400000 4.000000  -2.400000 4.000000   8.964908 6.137212   8.964908   6.137212 0.000000 0.000000 
1 1 1  -12    0   27 o 12.98429 7.164105  2.900000 3.100000   2.900000 3.100000   2.900000 3.100000   12.98429 7.164105   12.98429   7.164105 0.000000 0.000000 
1 1 1  -12    0   28 o 55.83556 3.311228  36.80000 4.200000   36.80000 4.200000   36.80000 4.200000   55.83556 3.311228   55.83556   3.311228 0.000000 0.000000 
1 1 1  -12    0   29 o 14.56021 7.897872  4.100000 3.700000   4.100000 3.700000   4.100000 3.700000   14.56021 7.897872   14.56021   7.897872 0.000000 0.000000 
1 1 1  -12    2    1 o 460.3775 3.732263  2428.441 27.82318   2409.000 55.20000   2448.200 56.10000   458.5210 5.256777   462.2340   5.299570 -3.713074 7.464526 
1 1 1  -12    2    2 o 539.0042 5.299834  3337.736 44.33150   3375.000 76.20000   3285.900 106.0000   542.7058 6.130984   535.3026   8.646617 7.403198 10.59967 
1 1 1  -12    2    3 o 40.53728 0.8009059  18.78095 0.5238096   21.40000 1.100000   16.40000 1.000000   43.23016 1.111081   37.84439   1.153820 5.385773 1.601812 
1 1 1  -12    2    4 o 228.3354 2.028750  596.9960 7.494667   601.0000 15.40000   593.2000 14.60000   229.0802 2.935437   227.5905   2.801164 1.489792 4.057500 
1 1 1  -12    2    5 o 283.0521 2.454330  917.1231 11.23911   897.6000 21.80000   937.9000 23.20000   279.9458 3.400339   286.1583   3.540147 -6.212555 4.908660 
1 1 1  -12    2    6 o 328.9844 2.839652  1239.593 15.11306   1249.000 31.10000   1230.700 29.40000   330.1950 4.112724   327.7739   3.916631 2.421173 5.679304 
1 1 1  -12    2    7 o 527.3593 4.358933  3188.282 37.22364   3216.300 74.90000   3160.600 74.00000   529.6614 6.174805   525.0572   6.154104 4.604187 8.717867 
1 1 1  -12    2    8 o 185.1266 1.876465  392.5440 5.624000   393.0000 11.40000   392.1000 11.10000   185.2321 2.687376   185.0212   2.619637 0.2108459 3.752930 
1 1 1  -12    2    9 o 194.9398 2.799943  435.3000 12.50000   435.3000 12.50000          ?        ?   194.9398 2.799943          ?          ?       ?       ? 
1 1 1  -12    2   10 o 455.5130 3.877232  2379.125 28.59292   2403.300 58.10000   2355.700 56.30000   457.7839 5.541857   453.2422   5.423976 4.541748 7.754463 
1 1 1  -12    2   11 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1  -12    2   12 o 211.5716 2.059512  512.1170 7.021276   523.5000 15.00000   502.1000 13.20000   213.7751 3.063895   209.3681   2.752981 4.407013 4.119023 
1 1 1  -12    2   13 o 305.1241 2.757500  1066.900 13.62495   1066.800 27.30000   1067.000 27.20000   305.1094 3.907030   305.1389   3.892343 -0.2947998E-01 5.514999 
1 1 1  -12    2   14 o 256.4941 2.877301  749.1296 11.35170   728.6000 19.00000   779.6000 28.20000   252.1887 3.289787   260.7996   4.721520 -8.610947 5.754602 
1 1 1  -12    2   15 o 546.8513 5.243739  3400.405 40.62892   3328.400 62.30000   3535.400 116.8000   538.8937 5.048061   554.8088   9.192619 -15.91504 10.48748 
1 1 1  -12    2   16 o 352.3742 3.713681  1434.725 19.12500   1467.800 30.60000   1379.600 51.00000   357.9292 3.733052   346.8192   6.421061 11.11002 7.427361 
1 1 1  -12    2   17 o 112.6209 1.610002  146.3009 2.638938   149.2000 4.200000   141.4000 7.100000   114.1404 1.606755   111.1014   2.790478 3.039032 3.220005 
1 1 1  -12    2   18 o 129.4738 1.934887  187.3820 3.397436   178.6000 5.000000   206.0000 10.60000   124.8760 1.748360   134.0716   3.452303 -9.195587 3.869775 
1 1 1  -12    2   19 o 178.5667 2.415199  365.1782 5.954887   364.4000 9.000000   366.7000 17.60000   178.3475 2.203511   178.7859   4.298521 -0.4384308 4.830397 
1 1 1  -12    2   20 o 146.8217 1.979441  247.5200 4.095000   248.5000 6.300000   245.7000 11.70000   147.2807 1.867818   146.3627   3.490559 0.9179535 3.958882 
1 1 1  -12    2   21 o 273.5728 2.909729  858.1158 11.74531   853.2000 18.80000   866.3000 31.30000   272.7336 3.009947   274.4120   4.980593 -1.678345 5.819458 
1 1 1  -12    2   22 o 80.20757 1.908859  73.13542 2.195833   71.40000 3.400000   76.30000 6.200000   78.92239 1.881128   81.49274   3.322098 -2.570351 3.817719 
1 1 1  -12    2   23 o 109.3378 1.820321  135.4667 2.920635   130.1000 4.600000   144.8000 8.000000   106.4965 1.886090   112.1792   3.113991 -5.682732 3.640642 
1 1 1  -12    2   24 o 57.19813 2.532382  38.63295 2.007955   40.50000 3.100000   35.20000 5.700000   59.35983 2.280388   55.03643   4.522351 4.323402 5.064764 
1 1 1  -12    2   25 o 93.44130 1.871263  101.1000 2.756250   103.2000 4.900000   98.40000 6.300000   94.65535 2.260428   92.22725   2.982779 2.428101 3.742526 
1 1 1  -12    2   26 o 32.71178 3.419889  12.28056 1.661111   10.80000 2.600000   14.90000 4.600000   30.34214 3.741682   35.08142   5.725591 -4.739285 6.839778 
1 1 1  -12    2   27 o 32.70693 3.294559  13.13636 1.612121   13.90000 2.800000   12.10000 3.800000   34.35057 3.559294   31.06329   5.545079 3.287275 6.589118 
1 1 1  -12    2   28 o 22.82151 4.618435  6.862500 1.687500   5.700000 2.700000   8.800000 4.500000   20.77665 5.563500   24.86638   7.373414 -4.089733 9.236870 
1 1 1  -12    2   29 o 15.65814 4.309946  1.268355 1.883544   4.800000 3.100000  -4.200000 4.800000   18.77558 6.202837   12.54071   5.985595 6.234874 8.619892 
1 1 1  -12    4    1 f 267.9287 2.402715  822.2065 10.42014   808.9000 20.40000   836.1000 21.30000   265.7155 3.352379   270.1420   3.442922 -4.426575 4.805429 
1 1 1  -12    4    2 o 326.9467 2.842654  1224.950 15.05000   1215.500 30.10000   1234.400 30.10000   325.6845 4.035609   328.2088   4.004571 -2.524231 5.685308 
1 1 1  -12    4    3 o 222.7368 1.996291  568.3187 7.199653   565.6000 14.50000   571.0000 14.30000   222.2069 2.849379   223.2667   2.796738 -1.059769 3.992581 
1 1 1  -12    4    4 o 487.0169 4.051130  2719.894 31.94718   2692.900 63.30000   2747.400 64.50000   484.5807 5.703971   489.4531   5.754245 -4.872406 8.102260 
1 1 1  -12    4    5 o 427.2759 3.530045  2092.824 24.42293   2079.300 48.40000   2106.600 49.30000   425.8855 4.962405   428.6662   5.021892 -2.780731 7.060089 
1 1 1  -12    4    6 o 250.5079 2.261765  718.9286 9.174932   711.1000 18.30000   726.8000 18.40000   249.1399 3.207358   251.8759   3.189855 -2.735962 4.523530 
1 1 1  -12    4    7 o 249.2984 2.217872  709.6011 8.887151   679.0000 16.40000   745.8000 19.40000   243.4586 2.941429   255.1382   3.320213 -11.67960 4.435743 
1 1 1  -12    4    8 o 180.7929 1.793107  373.1529 5.219524   355.0000 9.700000   394.3000 11.30000   176.0512 2.405871   185.5346   2.659458 -9.483368 3.586214 
1 1 1  -12    4    9 o 277.1205 2.490199  879.8396 11.17494   875.2000 22.30000   884.5000 22.40000   276.3882 3.523101   277.8529   3.520244 -1.464722 4.980397 
1 1 1  -12    4   10 o 276.2012 2.498469  873.9369 11.17450   864.6000 22.20000   883.4000 22.50000   274.7160 3.528651   277.6863   3.538080 -2.970306 4.996938 
1 1 1  -12    4   11 o 271.7025 2.467654  845.9742 10.83871   842.0000 22.40000   849.7000 21.00000   271.0783 3.608220   272.3268   3.367198 -1.248505 4.935309 
1 1 1  -12    4   12 o 206.4371 1.937127  488.1741 6.474904   481.9000 13.00000   494.4000 12.90000   205.1149 2.767489   207.7593   2.711246 -2.644470 3.874255 
1 1 1  -12    4   13 o 541.2642 5.500549  3368.142 46.34929   3404.800 80.10000   3317.800 110.0000   544.9340 6.418423   537.5944   8.934653 7.339661 11.00110 
1 1 1  -12    4   14 o 160.6108 1.617317  294.1107 4.151786   281.7000 7.500000   309.5000 9.300000   156.8351 2.088131   164.3865   2.470339 -7.551392 3.234635 
1 1 1  -12    4   15 o 202.3901 1.937279  468.8622 6.343701   483.2000 13.10000   455.4000 12.30000   205.3869 2.785084   199.3934   2.693606 5.993546 3.874559 
1 1 1  -12    4   16 o 350.7397 3.067909  1409.821 17.41894   1427.800 35.50000   1392.500 34.20000   352.9303 4.392170   348.5490   4.284518 4.381226 6.135817 
1 1 1  -12    4   17 o 142.3806 1.713179  232.1525 3.947468   236.1000 8.100000   228.4000 7.700000   143.5597 2.463724   141.2015   2.381174 2.358231 3.426358 
1 1 1  -12    4   18 o 286.7339 2.697797  942.3359 12.51058   927.7000 24.20000   958.0000 25.90000   284.4409 3.715037   289.0271   3.912920 -4.586212 5.395594 
1 1 1  -12    4   19 o 196.2487 2.132808  441.6856 6.774908   424.3000 13.50000   459.2000 13.60000   192.3669 3.064383   200.1304   2.967328 -7.763443 4.265616 
1 1 1  -12    4   20 o 184.3437 2.185578  389.6130 6.520307   379.2000 12.70000   400.6000 13.40000   181.8181 3.050045   186.8692   3.131170 -5.051132 4.371156 
1 1 1  -12    4   21 o 81.87688 1.583209  75.21567 1.942169   69.80000 3.100000   84.30000 5.200000   78.04040 1.734530   85.71337   2.649076 -7.672974 3.166418 
1 1 1  -12    4   22 o 84.79405 1.880473  83.51683 2.469307   88.20000 4.300000   77.20000 5.800000   87.66748 2.141754   81.92063   3.091537 5.746849 3.760946 
1 1 1  -12    4   23 o 67.77695 1.826201  53.18846 1.867949   54.50000 3.100000   51.20000 4.700000   68.89945 1.964652   66.65443   3.078992 2.245018 3.652403 
1 1 1  -12    4   24 o 51.15247 2.895108  31.68539 2.076405   34.80000 3.300000   26.40000 5.600000   54.93409 2.623081   47.37086   5.161982 7.563236 5.790217 
1 1 1  -12    4   25 o 66.86488 2.159155  51.90000 2.153846   51.90000 3.500000   51.90000 5.600000   67.06653 2.278777   66.66322   3.668102 0.4033051 4.318310 
1 1 1  -12    4   26 o 71.59730 1.766871  59.31707 2.039024   55.10000 3.800000   64.20000 4.400000   68.89947 2.408283   74.29513   2.586021 -5.395660 3.533742 
1 1 1  -12    4   27 o 19.61028 4.059057  4.627273 1.648485   8.700000 3.200000  0.3000000 3.400000   25.69859 5.595861   13.52196   5.881337 12.17663 8.118114 
1 1 1  -12    4   28 o 43.85583 2.763994  23.94211 1.867105   26.20000 3.300000   21.00000 4.300000   46.82462 3.077368   40.88704   4.592218 5.937576 5.527988 
1 1 1  -12    4   29 o 18.54053 4.995985  4.428916 1.855422   2.000000 2.800000   9.200000 5.500000   14.02055 5.656128   23.06051   8.236970 -9.039962 9.991970 
1 1 1  -12    6    1 o 270.4577 2.461513  838.3130 10.77030   827.9000 22.00000   848.3000 21.10000   268.8076 3.573722   272.1078   3.385955 -3.300140 4.923026 
1 1 1  -12    6    2 o 223.3611 2.108427  571.5997 7.624262   576.6000 15.10000   566.5000 15.40000   224.3493 2.938948   222.3728   3.023978 1.976501 4.216854 
1 1 1  -12    6    3 o 536.9041 4.376390  3307.329 38.04895   3349.600 76.50000   3265.500 75.70000   540.3183 6.182320   533.4899   6.195971 6.828430 8.752779 
1 1 1  -12    6    4 o 381.7613 3.219013  1670.581 19.89799   1677.500 40.20000   1663.800 39.40000   382.5406 4.588685   380.9819   4.515767 1.558685 6.438026 
1 1 1  -12    6    5 o 89.62454 1.224597  91.88028 1.766197   93.70000 3.800000   90.30000 3.300000   90.45184 1.834450   88.79726   1.622759 1.654579 2.449195 
1 1 1  -12    6    6 o 223.5978 2.853789  571.6651 10.26683   591.5000 22.20000   554.6000 19.10000   227.1887 4.266836   220.0069   3.790852 7.181824 5.707578 
1 1 1  -12    6    7 o 115.6429 1.388339  153.0981 2.599039   158.5000 5.300000   147.9000 5.100000   117.6438 1.967191   113.6420   1.959617 4.001839 2.776677 
1 1 1  -12    6    8 o 233.7240 2.166615  625.5952 8.195122   617.4000 16.00000   634.2000 16.80000   232.1570 3.009386   235.2910   3.117767 -3.133972 4.333230 
1 1 1  -12    6    9 o 137.1022 1.475005  215.1611 3.273283   223.6000 6.700000   207.1000 6.400000   139.7293 2.093761   134.4752   2.078154 5.254105 2.950010 
1 1 1  -12    6   10 o 312.0986 3.402126  1121.431 16.69632   1154.300 29.60000   1078.900 38.30000   317.4057 4.072084   306.7916   5.451236 10.61411 6.804252 
1 1 1  -12    6   11 o 442.7990 3.821140  2247.375 27.39772   2277.800 55.30000   2217.500 54.30000   445.7678 5.416966   439.8301   5.390817 5.937653 7.642279 
1 1 1  -12    6   12 o 238.1691 2.376151  649.9019 9.122677   650.8000 17.30000   648.9000 19.30000   238.3496 3.169359   237.9886   3.541122 0.3610229 4.752303 
1 1 1  -12    6   13 o 106.8778 1.487698  130.7553 2.572816   127.6000 5.000000   134.1000 5.300000   105.5508 2.068466   108.2049   2.138792 -2.654175 2.975396 
1 1 1  -12    6   14 o 191.5343 1.894053  420.1128 5.872340   429.1000 12.00000   411.5000 11.50000   193.5388 2.707403   189.5299   2.649475 4.008881 3.788106 
1 1 1  -12    6   15 o 328.8348 2.910998  1238.639 15.46839   1273.600 32.40000   1206.700 29.60000   333.2558 4.245287   324.4139   3.984116 8.841919 5.821996 
1 1 1  -12    6   16 o 346.1772 3.161627  1373.493 17.69535   1418.200 36.90000   1332.300 34.00000   351.5671 4.583084   340.7874   4.356474 10.77979 6.323253 
1 1 1  -12    6   17 o 197.2908 2.034214  445.1792 6.475385   425.8000 12.20000   467.1000 13.80000   192.7343 2.764016   201.8474   2.985353 -9.113068 4.068429 
1 1 1  -12    6   18 o 220.2024 2.166608  555.2932 7.701618   574.6000 16.30000   538.0000 14.60000   223.8112 3.180134   216.5936   2.943385 7.217697 4.333216 
1 1 1  -12    6   19 o 134.3747 1.734807  207.0424 3.773510   210.0000 7.700000   204.2000 7.400000   135.3128 2.484800   133.4366   2.421567 1.876205 3.469614 
1 1 1  -12    6   20 f 113.5730 1.591704  148.0761 2.924786   139.5000 5.800000   156.8000 5.900000   110.2494 2.297161   116.8965   2.203891 -6.647102 3.183407 
1 1 1  -12    6   21 o 71.50513 1.878329  58.79311 2.174713   59.40000 4.400000   58.20000 4.300000   71.86800 2.673356   71.14227   2.639250 0.7257385 3.756657 
1 1 1  -12    6   22 o 68.20106 2.028651  53.73595 2.202247   54.50000 4.000000   52.80000 4.900000   68.79456 2.538900   67.60755   3.164758 1.187012 4.057303 
1 1 1  -12    6   23 o 18.04956 4.009720  2.852941 1.647059  -2.500000 4.000000   6.600000 2.800000   12.95838 5.942785   23.14074   5.384675 -10.18236 8.019440 
1 1 1  -12    6   24 o 65.92280 1.925604  50.32805 2.030488   49.20000 3.700000   51.70000 4.500000   65.18205 2.478640   66.66354   2.947568 -1.481491 3.851209 
1 1 1  -12    6   25 o 21.39977 4.726768  5.352703 1.714865   3.200000 2.700000   9.100000 4.700000   16.66630 5.786351   26.13325   7.475794 -9.466953 9.453537 
1 1 1  -12    6   26 o 17.53753 4.860709  3.221951 1.775610   3.000000 2.600000   3.700000 5.600000   15.89350 5.664792   19.18157   7.900385 -3.288070 9.721417 
1 1 1  -12    6   27 o 27.01794 4.333785  8.984000 1.594667   6.500000 2.300000   14.60000 5.200000   22.42536 4.631788   31.61051   7.326206 -9.185150 8.667569 
1 1 1  -12    8    1 o 300.3383 2.729525  1033.631 13.27495   1043.800 26.60000   1023.500 26.50000   301.8136 3.848421   298.8630   3.871804 2.950562 5.459049 
1 1 1  -12    8    2 o 131.0101 1.590552  196.3778 3.370370   204.0000 7.000000   189.3000 6.500000   133.4588 2.290291   128.5615   2.207710 4.897232 3.181103 
1 1 1  -12    8    3 o 203.0792 1.939828  472.4247 6.367059   471.7000 13.20000   473.1000 12.30000   202.9263 2.840373   203.2322   2.642727 -0.3059235 3.879656 
1 1 1  -12    8    4 o 550.7096 4.580656  3479.277 40.84608   3497.100 82.50000   3461.800 80.90000   552.0988 6.524946   549.3205   6.430762 2.778259 9.161311 
1 1 1  -12    8    5 o 47.87111 1.902825  26.24746 1.474576   26.10000 2.900000   26.40000 3.000000   47.73457 2.652801   48.00766   2.728666 -0.2730865 3.805650 
1 1 1  -12    8    6 o 272.2049 2.445299  849.0575 10.77030   843.8000 22.00000   854.1000 21.10000   271.3754 3.539907   273.0344   3.374465 -1.658966 4.890599 
1 1 1  -12    8    7 o 271.3993 2.428983  843.6651 10.66792   831.0000 20.80000   857.0000 21.90000   269.3120 3.372464   273.4865   3.496616 -4.174500 4.857966 
1 1 1  -12    8    8 o 263.7244 2.435304  796.4514 10.38822   813.3000 21.50000   780.7000 20.10000   266.4175 3.523834   261.0313   3.362352 5.386139 4.870607 
1 1 1  -12    8    9 o 202.4080 1.953305  469.4414 6.398438   463.5000 13.00000   475.2000 12.60000   201.1445 2.822116   203.6714   2.701346 -2.526886 3.906610 
1 1 1  -12    8   10 o 251.9432 2.377483  727.3101 9.697680   736.5000 19.70000   718.4000 19.10000   253.5086 3.393230   250.3779   3.331019 3.130692 4.754965 
1 1 1  -12    8   11 o 140.6168 1.779656  226.3944 4.040123   223.4000 7.700000   229.7000 8.500000   139.6425 2.407759   141.5912   2.621334 -1.948730 3.559311 
1 1 1  -12    8   12 o 88.09100 1.543893  88.90455 2.195454   89.00000 4.200000   88.80000 4.600000   88.14249 2.080672   88.03951   2.281497 0.1029739 3.087786 
1 1 1  -12    8   13 o 44.05738 2.647648  22.38000 1.872000   24.30000 3.600000   20.30000 3.900000   46.04186 3.414203   42.07291   4.047639 3.968956 5.295296 
1 1 1  -12    8   14 o 118.9009 1.794768  162.1522 3.443478   159.7000 7.200000   164.4000 6.600000   118.0329 2.663602   119.7690   2.406241 -1.736153 3.589537 
1 1 1  -12    8   15 o 89.89166 1.687577  92.81020 2.448980   98.10000 4.800000   87.30000 5.000000   92.51662 2.265485   87.26671   2.501849 5.249908 3.375155 
1 1 1  -12    8   16 o 18.36304 4.729843  3.165753 1.816438   2.700000 3.400000   3.700000 3.900000   17.35544 6.434343   19.37065   6.934327 -2.015205 9.459686 
1 1 1  -12    8   17 o 136.1759 1.768775  212.7987 3.899359   220.8000 7.900000   205.0000 7.700000   138.7051 2.486992   133.6467   2.515777 5.058365 3.537550 
1 1 1  -12    8   18 o 50.29867 2.141188  29.32029 1.715942   31.50000 3.200000   26.80000 3.700000   52.35528 2.668881   48.24206   3.349004 4.113216 4.282377 
1 1 1  -12    8   19 o 57.59379 1.898170  37.63944 1.746479   32.40000 3.100000   44.40000 4.000000   53.07967 2.550194   62.10791   2.812243 -9.028240 3.796340 
1 1 1  -12    8   20 o 27.72304 3.839011  10.08182 1.625758   14.30000 2.900000   4.700000 3.700000   35.13763 3.603837   20.30844   6.779703 14.82919 7.678022 
1 1 1  -12    8   21 o 21.15363 4.147067  4.724658 1.824658   10.10000 3.600000 -0.8000000 3.700000   28.63625 5.689934   13.67102   6.034676 14.96523 8.294134 
1 1 1  -12    8   22 o 21.33108 4.024787  5.630509 1.471186   8.100000 3.100000   3.400000 2.800000   25.45960 5.479131   17.20255   5.897015 8.257042 8.049575 
1 1 1  -12    8   23 o 9.270090 3.097470 -2.593878 1.224490  -2.300000 2.400000  -2.900000 2.500000   9.360504 4.396841   9.179677   4.364066 0.1808271 6.194940 
1 1 1  -12    8   24 o 16.24155 4.422181  2.469565 1.724638  0.4000000 3.400000   4.600000 3.500000   13.62389 5.903426   18.85921   6.585765 -5.235321 8.844361 
1 1 1  -12    8   25 f 13.49507 4.269389 -0.7812500 1.988750   1.300000 3.700000  -3.200000 4.300000   14.70394 6.260947   12.28621   5.806142 2.417731 8.538778 
1 1 1  -12    8   26 o 15.27020 4.336922 0.1024390 2.045122  -6.400000 4.300000   6.000000 3.900000   10.56744 5.185420   19.97296   6.953199 -9.405521 8.673843 
1 1 1  -12   10    1 o 97.69905 1.644660  110.7529 2.514706   119.4000 4.500000   99.80000 5.700000   102.0875 1.924773   93.31055   2.667373 8.777000 3.289321 
1 1 1  -12   10    2 o 172.7589 1.949672  342.2238 5.445872   337.6000 11.20000   346.6000 10.60000   171.6169 2.849690   173.9010   2.661605 -2.284042 3.899343 
1 1 1  -12   10    3 o 50.35519 2.398824  29.14359 1.948718   30.80000 3.800000   27.40000 4.000000   51.83113 3.201346   48.87924   3.573348 2.951897 4.797648 
1 1 1  -12   10    4 o 125.2414 1.764058  179.6643 3.566434   181.5000 7.500000   178.0000 6.800000   125.8468 2.602309   124.6359   2.382349 1.210892 3.528116 
1 1 1  -12   10    5 o 116.5994 1.853792  155.3929 3.482143   148.8000 6.500000   163.0000 7.500000   113.9481 2.490841   119.2507   2.746251 -5.302567 3.707584 
1 1 1  -12   10    6 o 102.9933 1.774085  121.7729 2.942373   125.0000 5.600000   118.2000 6.200000   104.4396 2.341329   101.5470   2.666025 2.892578 3.548170 
1 1 1  -12   10    7 o 185.0310 2.002234  392.2067 5.993333   404.4000 12.40000   380.8000 11.60000   187.8081 2.883016   182.2539   2.779207 5.554245 4.004469 
1 1 1  -12   10    8 o 201.6890 2.081619  465.6283 6.781985   486.5000 14.30000   446.8000 12.90000   205.9722 3.031567   197.4058   2.853445 8.566376 4.163238 
1 1 1  -12   10    9 o 118.6487 1.641117  161.3286 3.142857   161.8000 6.600000   160.9000 6.000000   118.8090 2.425685   118.4884   2.211134 0.3205261 3.282234 
1 1 1  -12   10   10 o 74.78761 1.901034  64.06848 2.290217   65.40000 4.900000   62.90000 4.300000   75.50997 2.833554   74.06524   2.535092 1.444733 3.802068 
1 1 1  -12   10   11 o 114.9016 1.689313  151.1840 3.080000   153.2000 7.000000   149.6000 5.500000   115.5659 2.644892   114.2373   2.102300 1.328690 3.378626 
1 1 1  -12   10   12 o 47.99562 2.818324  26.80000 2.120930   28.70000 3.800000   24.40000 4.800000   49.97827 3.320030   46.01297   4.555129 3.965298 5.636648 
1 1 1  -12   10   13 o 76.87660 1.609255  67.58500 1.980000   65.20000 3.600000   70.50000 4.400000   75.38840 2.085152   78.36479   2.451723 -2.976387 3.218509 
1 1 1  -12   10   14 o 111.8682 1.835731  143.8120 3.324812   142.2000 6.700000   145.4000 6.600000   111.2408 2.629969   112.4957   2.561816 -1.254898 3.671462 
1 1 1  -12   10   15 o 22.32545 4.649403  5.962500 1.787500   6.100000 3.300000   5.800000 3.900000   22.45586 6.208869   22.19504   6.922265 0.2608242 9.298806 
1 1 1  -12   10   16 o 87.62883 1.761929  88.32000 2.496000   86.40000 4.800000   90.40000 5.200000   86.65060 2.418852   88.60706   2.562564 -1.956459 3.523859 
1 1 1  -12   10   17 o 51.53508 1.947366  30.64923 1.624615   30.70000 3.300000   30.60000 3.200000   51.57122 2.794127   51.49893   2.713260 0.7229233E-01 3.894731 
1 1 1  -12   10   18 o 84.67730 1.570883  82.59768 2.139535   81.90000 4.000000   83.40000 4.600000   84.32954 2.071190   85.02505   2.362385 -0.6955109 3.141765 
1 1 1  -12   10   19 o 44.08707 2.424143  22.78696 1.721739   23.60000 3.300000   21.90000 3.600000   44.97061 3.204238   43.20352   3.638506 1.767094 4.848285 
1 1 1  -12   10   20 o 91.40075 1.690140  96.95000 2.500000   100.9000 5.000000   93.00000 5.000000   93.28782 2.340371   89.51368   2.439048 3.774139 3.380280 
1 1 1  -12   10   21 o 43.65738 2.838874  22.84500 1.955000   21.40000 3.400000   24.80000 4.600000   42.32538 3.507663   44.98938   4.464652 -2.663998 5.677747 
1 1 1  -12   10   22 o 25.15998 4.167695  8.500000 1.580882   8.500000 2.500000   8.500000 4.300000   26.24621 4.159232   24.07374   7.223538 2.172466 8.335389 
1 1 1  -12   10   23 o 24.63349 4.567316  8.596203 1.972152   4.700000 3.800000   12.80000 4.100000   18.70580 6.824341   30.56117   6.072056 -11.85538 9.134632 
1 1 1  -12   12    1 o 69.04446 2.108031  54.72979 2.323404   56.50000 5.200000   53.30000 4.200000   70.01612 3.242985   68.07281   2.694110 1.943314 4.216063 
1 1 1  -12   12    2 f 19.15354 4.720050  3.866667 1.794444   3.300000 3.400000   4.500000 3.800000   18.07971 6.474325   20.22737   6.870124 -2.147657 9.440100 
1 1 1  -12   12    3 o 37.43381 3.328846  17.27671 1.816438   11.40000 3.900000   22.40000 3.400000   30.78495 5.743043   44.08266   3.367835 -13.29771 6.657692 
1 1 1  -12   12    4 o 84.73145 2.033853  83.12727 2.705455   78.90000 6.200000   86.40000 4.800000   82.74781 3.271710   86.71509   2.417054 -3.967278 4.067707 
1 1 1  -12   12    5 o 44.85364 2.737767  23.17342 1.936709   23.80000 4.500000   22.70000 3.400000   45.33312 4.334476   44.37416   3.345711 0.9589615 5.475533 
1 1 1  -12   12    6 o 13.54182 4.173018 -0.6347826 1.721739  -1.400000 3.300000  0.2000000 3.600000   12.48423 5.592903   14.59942   6.194818 -2.115189 8.346037 
1 1 1  -12   12    7 o 13.80236 4.199926 -0.6542857 1.748571   1.300000 3.600000  -2.500000 3.400000   15.77487 6.396025   11.82986   5.445031 3.945008 8.399852 
1 1 1  -12   12    8 o 13.81442 4.165990 -0.4119402 1.644776  -2.100000 2.900000   1.800000 3.800000   10.96265 5.039526   16.66620   6.635139 -5.703552 8.331980 
1 1 1  -12   12    9 o 21.03480 4.795582  5.080000 1.800000   5.000000 3.000000   5.200000 4.500000   20.40948 6.012073   21.66012   7.472980 -1.250637 9.591165 
1 1 1  -12   12   10 o 26.45237 3.575015  8.454237 1.474576   8.700000 2.900000   8.200000 3.000000   26.89044 4.889225   26.01429   5.217126 0.8761463 7.150030 
1 1 1  -12   12   11 o 25.50777 4.808417  7.964198 1.987654   7.100000 3.500000   9.100000 4.600000   23.99660 6.291653   27.01894   7.273142 -3.022345 9.616834 
1 1 1  -12   12   12 o 49.71384 2.402032  29.06053 1.888158   32.10000 3.500000   25.50000 4.100000   52.66752 2.901783   46.76016   3.828667 5.907360 4.804064 
1 1 1  -12   12   13 o 18.64757 4.184359  3.600000 1.644776 -0.2000000 3.800000   6.500000 2.900000   14.38640 6.237432   22.90874   5.579416 -8.522342 8.368718 
1 1 1  -12   12   14 o 24.89125 3.631921  7.651724 1.448276   10.60000 3.000000   4.900000 2.800000   29.92052 4.378161   19.86197   5.796129 10.05855 7.263842 
1 1 1  -12   12   15 o 44.56872 2.490551  23.16667 1.777778   26.00000 4.000000   20.90000 3.200000   46.92921 3.721830   42.20824   3.310492 4.720970 4.981102 
1 1 1  -12   12   16 o 13.94126 3.985639 -1.961972 1.774648   4.200000 3.500000  -8.300000 3.600000   18.84328 6.585452   9.039235   4.491446 9.804046 7.971278 
1 1 1  -12   12   17 o 16.65074 4.732158  2.484615 1.903846   1.300000 3.300000   4.100000 4.500000   14.45086 6.018001   18.85063   7.304585 -4.399773 9.464316 
1 1 1  -12   12   18 o 29.57272 3.607179  10.71177 1.627941   6.900000 2.700000   16.50000 4.100000   22.92374 5.255259   36.22169   4.942592 -13.29795 7.214358 
1 1 1  -12   12   19 o 19.28200 4.412540  4.922059 1.698529   7.300000 3.300000   2.400000 3.500000   22.90467 6.158020   15.65933   6.321459 7.245344 8.825081 
1 1 1  -12   12   20 o 15.72679 4.132012 0.9910256 1.867949   5.800000 3.100000  -6.300000 4.700000   20.15743 6.152510   11.29614   5.517311 8.861293 8.264025 
1 1 1  -12   14    1 o 22.62495 5.206233  6.452809 2.101124   6.300000 3.400000   6.700000 5.500000   22.13007 6.366684   23.11983   8.239222 -0.9897614 10.41247 
1 1 1  -12   14    2 o 44.70975 2.696048  23.41154 1.929487   18.70000 3.500000   29.20000 4.300000   39.73647 3.846081   49.68303   3.779202 -9.946560 5.392097 
1 1 1  -12   14    3 o 17.35673 4.378517  2.593333 1.778667   5.300000 2.900000  -1.700000 4.600000   20.41150 5.882172   14.30197   6.487350 6.109529 8.757034 
1 1 1  -12   14    4 o 21.12039 4.428331  4.460759 1.949367 -0.9000000 3.500000   11.20000 4.400000   12.95832 5.785801   29.28245   6.705592 -16.32413 8.856662 
1 1 1  -12   14    5 o 18.00494 4.377293  3.215493 1.757746   6.100000 3.200000 -0.3000000 3.900000   21.80421 6.144756   14.20568   6.235763 7.598530 8.754585 
1 1 1  -12   14    6 o 27.79790 4.901571  10.13295 2.189773   9.900000 4.100000   10.40000 4.700000   27.59548 6.580221   28.00032   7.266518 -0.4048424 9.803142 
1 1 1  -12   14    7 o 13.01453 4.061658 -1.952778 1.794444  -5.400000 3.400000   1.900000 3.800000   9.832260 4.777619   16.19681   6.569828 -6.364546 8.123317 
1 1 1  -12   14    8 o 22.23674 4.052820  6.133333 1.643939   2.000000 3.100000   10.80000 3.500000   15.25271 6.017963   29.22076   5.430058 -13.96805 8.105640 
1 1 1  -12   14    9 f 14.59533 4.505982 0.2437500 1.968750 -0.5000000 3.500000   1.200000 4.500000   13.09355 5.819986   16.09711   6.880645 -3.003552 9.011965 
1 1 1  -12   14   10 o 14.59055 4.335649 0.6946667 1.834667   2.700000 3.200000  -2.000000 4.300000   15.97528 6.168294   13.20583   6.094552 2.769449 8.671298 
1 1 1  -12   14   11 o 20.71666 4.490415  5.638028 1.774648   2.900000 3.600000   8.300000 3.500000   16.64956 6.510656   24.78376   6.186007 -8.134195 8.980830 
1 1 1  -12   14   12 o 14.76872 3.599216 -1.176923 1.615385   6.300000 3.000000  -9.900000 3.500000   21.40746 5.920306   8.129992   4.094800 13.27747 7.198431 
1 1 1  -12   14   13 f 17.07668 4.659599  3.450685 1.797260   3.100000 3.200000   3.900000 4.100000   16.26593 6.196172   17.88744   6.960956 -1.621511 9.319199 
1 1 1  -12   14   14 f 19.01491 4.773734  4.959459 1.848649   5.300000 3.600000   4.600000 3.800000   19.48759 6.686282   18.54223   6.815260 0.9453678 9.547468 
1 1 1  -12   14   15 o 56.55357 2.486185  39.16703 2.268132   34.30000 4.300000   44.60000 4.800000   52.80274 3.555918   60.30440   3.475617 -7.501659 4.972370 
1 1 1  -11    1    1 o 624.8036 7.024861  4480.919 71.06950   4471.800 140.9000   4490.200 143.4000   624.1740 9.857006   625.4332   10.01170 -1.259216 14.04972 
1 1 1  -11    1    2 o 139.1691 1.562811  220.6165 3.343885   228.2000 8.300000   215.5000 5.600000   141.1582 2.567508   137.1800   1.782530 3.978165 3.125621 
1 1 1  -11    1    3 o 374.7619 4.341748  1609.150 26.33852   1581.000 51.60000   1638.500 53.80000   371.4190 6.066320   378.1049   6.213120 -6.685883 8.683496 
1 1 1  -11    1    4 o 170.5504 1.520526  332.8072 4.194643   344.2000 8.700000   322.2000 8.100000   173.3659 2.191267   167.7348   2.108636 5.631180 3.041052 
1 1 1  -11    1    5 o 462.9790 4.769448  2435.570 33.55273   2353.800 55.10000   2562.900 85.80000   453.2290 5.308522   472.7290   7.925283 -19.49997 9.538896 
1 1 1  -11    1    6 o 262.2155 2.350263  786.2371 9.935840   765.1000 18.70000   810.2000 21.20000   258.4641 3.159230   265.9670   3.480549 -7.502991 4.700527 
1 1 1  -11    1    7 o 195.6857 1.862288  438.3754 5.893220   433.4000 11.40000   443.7000 12.20000   194.5374 2.558830   196.8341   2.706445 -2.296677 3.724575 
1 1 1  -11    1    8 o 504.4347 4.336763  2916.573 35.41863   2937.500 71.80000   2896.200 69.90000   506.2149 6.193401   502.6545   6.072218 3.560455 8.673526 
1 1 1  -11    1    9 o 236.5996 2.205622  640.8527 8.439349   653.9000 17.50000   628.7000 16.30000   238.9219 3.198319   234.2773   3.038065 4.644562 4.411245 
1 1 1  -11    1   10 o 468.0803 4.625693  2533.499 31.32244   2587.300 49.60000   2441.300 85.00000   475.1153 4.558504   461.0453   8.050354 14.06998 9.251387 
1 1 1  -11    1   11 o 281.9957 3.077748  908.8718 13.36191   897.5000 22.50000   925.5000 32.90000   279.8770 3.510388   284.1143   5.056412 -4.237396 6.155495 
1 1 1  -11    1   12 o 76.81227 1.341290  65.79385 1.455385   61.80000 2.200000   73.60000 4.300000   73.46201 1.307674   80.16253   2.342269 -6.700523 2.682580 
1 1 1  -11    1   13 o 285.9718 2.939037  947.6724 12.83321   993.0000 21.80000   882.8000 31.20000   294.4193 3.233181   277.5244   4.909002 16.89493 5.878075 
1 1 1  -11    1   14 o 121.7292 1.913401  168.9609 3.754967   185.0000 8.100000   155.1000 7.000000   127.0895 2.783011   116.3688   2.626644 10.72076 3.826802 
1 1 1  -11    1   15 o 437.2546 4.327957  2182.762 27.31359   2158.800 42.70000   2225.300 75.80000   434.0721 4.295421   440.4371   7.514932 -6.365021 8.655913 
1 1 1  -11    1   16 f 419.1718 3.977954  2037.658 25.13200   2125.500 41.90000   1906.000 62.80000   430.6963 4.247982   407.6473   6.726896 23.04892 7.955909 
1 1 1  -11    1   17 o 51.47125 1.997631  31.38730 1.507936   34.80000 2.500000   26.20000 3.800000   55.12292 1.980375   47.81958   3.469904 7.303333 3.995262 
1 1 1  -11    1   18 o 81.07378 1.712895  76.72558 2.033721   81.10000 3.300000   69.70000 5.300000   84.15016 1.712374   77.99740   2.967123 6.152763 3.425791 
1 1 1  -11    1   19 o 458.8942 4.477206  2399.882 29.12642   2350.200 44.70000   2492.800 83.60000   452.6237 4.312310   465.1648   7.847642 -12.54105 8.954412 
1 1 1  -11    1   20 o 279.2151 2.874933  897.1457 11.79841   905.6000 18.90000   883.1000 31.40000   281.0919 2.935980   277.3384   4.943782 3.753510 5.749866 
1 1 1  -11    1   21 o 211.9464 2.288653  513.6733 7.264495   508.1000 11.80000   522.6000 18.90000   210.5386 2.447315   213.3542   3.868123 -2.815598 4.577305 
1 1 1  -11    1   22 o 67.95119 2.050003  52.83721 1.922093   52.50000 2.900000   53.50000 5.700000   67.67805 1.871069   68.22433   3.648171 -0.5462799 4.100007 
1 1 1  -11    1   23 o 101.3171 1.875742  116.2712 2.611017   112.9000 3.900000   123.1000 7.900000   99.22581 1.716247   103.4084   3.335885 -4.182556 3.751484 
1 1 1  -11    1   24 o 28.76432 2.882601  9.311111 1.303704   7.600000 2.200000   11.80000 3.200000   25.63839 3.746896   31.89026   4.381589 -6.251867 5.765202 
1 1 1  -11    1   25 o 94.94830 1.985810  103.4675 2.859167   101.0000 4.700000   107.3000 7.300000   93.67128 2.190943   96.22533   3.312631 -2.554054 3.971619 
1 1 1  -11    1   26 o 80.67910 1.862244  75.35000 2.333333   75.10000 4.000000   75.70000 5.600000   80.66881 2.165180   80.68939   3.030479 -0.2058411E-01 3.724488 
1 1 1  -11    1   27 o 10.02442 3.315120 -3.886441 1.464407 -0.5000000 2.700000  -7.900000 3.200000   11.69375 5.158818   8.355085   4.164937 3.338668 6.630241 
1 1 1  -11    1   28 o 44.44165 2.893912  24.32000 1.920000   25.60000 3.200000   22.40000 4.800000   46.51817 3.003773   42.36514   4.947347 4.153030 5.787823 
1 1 1  -11    1   29 o 19.36655 4.807446  4.616667 2.090000   7.000000 3.300000  0.5000000 5.700000   22.38501 6.216030   16.34810   7.335333 6.036901 9.614892 
1 1 1  -11    3    1 o 183.3895 1.796950  384.7770 5.291080   379.9000 9.800000   390.5000 11.50000   182.1304 2.349542   184.6485   2.719516 -2.518097 3.593900 
1 1 1  -11    3    2 o 211.1048 1.930670  510.3784 6.599621   519.9000 13.30000   501.0000 13.10000   213.0591 2.725782   209.1505   2.734968 3.908676 3.861339 
1 1 1  -11    3    3 o 457.9567 3.789188  2403.328 28.09964   2395.500 56.40000   2411.100 56.00000   457.2117 5.386436   458.7017   5.330862 -1.489929 7.578376 
1 1 1  -11    3    4 o 291.2599 2.660778  971.6318 12.54821   953.6000 24.80000   990.1000 25.40000   288.5252 3.753250   293.9946   3.772542 -5.469391 5.321556 
1 1 1  -11    3    5 o 533.7556 4.457028  3264.951 38.50032   3327.700 79.00000   3205.300 75.10000   538.7458 6.402991   528.7654   6.201783 9.980347 8.914057 
1 1 1  -11    3    6 o 275.4767 2.539106  869.3232 11.32053   870.7000 23.10000   868.0000 22.20000   275.6883 3.658756   275.2652   3.521611 0.4230957 5.078213 
1 1 1  -11    3    7 o 608.7446 5.031504  4252.336 49.59753   4208.200 98.50000   4297.100 99.90000   605.5656 7.102558   611.9236   7.128661 -6.358032 10.06301 
1 1 1  -11    3    8 o 210.8574 2.005912  508.9737 6.844161   494.8000 13.30000   524.0000 14.10000   207.8363 2.794281   213.8786   2.878668 -6.042328 4.011824 
1 1 1  -11    3    9 o 62.95482 1.079435  45.40000 1.100000   43.90000 2.200000   46.90000 2.200000   61.91442 1.551567   63.99522   1.501118 -2.080807 2.158869 
1 1 1  -11    3   10 o 276.7772 2.565138  874.7581 11.43717   928.4000 24.70000   828.5000 21.30000   284.6446 3.789080   268.9097   3.458699 15.73483 5.130276 
1 1 1  -11    3   11 o 222.2185 2.112535  565.3605 7.588158   557.1000 14.60000   574.3000 15.80000   220.5320 2.890819   223.9049   3.081294 -3.372894 4.225069 
1 1 1  -11    3   12 o 22.05323 2.100924  5.546667 0.7466667   6.400000 1.600000   4.800000 1.400000   23.63663 2.955794   20.46983   2.986438 3.166796 4.201848 
1 1 1  -11    3   13 o 302.7874 2.635186  1045.836 12.83559   1118.300 28.00000   984.5000 23.70000   312.4224 3.913412   293.1525   3.530161 19.26993 5.270373 
1 1 1  -11    3   14 o 444.1780 3.760591  2260.925 27.04547   2232.300 53.40000   2290.300 54.80000   441.3323 5.283422   447.0236   5.352908 -5.691315 7.521181 
1 1 1  -11    3   15 o 431.9401 3.806473  2138.634 26.62441   2142.100 53.50000   2135.200 53.00000   432.2867 5.404079   431.5934   5.362172 0.6932068 7.612947 
1 1 1  -11    3   16 o 295.1316 2.668939  998.3765 12.74824   1017.400 25.20000   978.9000 25.80000   297.9820 3.692752   292.2811   3.854416 5.700897 5.337878 
1 1 1  -11    3   17 o 222.8193 2.422005  570.2231 7.902959   574.1000 12.60000   563.7000 21.20000   223.8739 2.457575   221.7646   4.174296 2.109299 4.844009 
1 1 1  -11    3   18 o 208.3812 2.276042  492.4101 6.829530   479.0000 10.60000   516.7000 19.20000   204.4823 2.263549   212.2800   3.949406 -7.797760 4.552083 
1 1 1  -11    3   19 o 124.8274 1.975767  176.6333 3.400000   172.7000 5.100000   184.5000 10.20000   122.7908 1.813611   126.8641   3.510761 -4.073296 3.951535 
1 1 1  -11    3   20 o 237.3905 2.430121  647.2919 8.938859   651.2000 15.30000   641.8000 21.50000   238.3271 2.803223   236.4538   3.970378 1.873322 4.860243 
1 1 1  -11    3   21 o 51.07589 2.238032  28.19189 1.655405   23.80000 2.500000   36.80000 4.900000   45.55888 2.396110   56.59290   3.780714 -11.03402 4.476063 
1 1 1  -11    3   22 f 149.5778 2.167142  256.6039 4.702463   255.0000 7.400000   259.4000 12.90000   149.0838 2.167410   150.0719   3.753446 -0.9880524 4.334284 
1 1 1  -11    3   23 o 51.79442 2.326023  30.56364 1.831169   29.20000 3.000000   32.70000 4.700000   50.39336 2.599487   53.19548   3.858005 -2.802120 4.652046 
1 1 1  -11    3   24 o 97.03259 1.711613  109.4991 2.634906   119.9000 4.900000   97.40000 5.700000   102.1317 2.094957   91.93346   2.707329 10.19826 3.423226 
1 1 1  -11    3   25 o 28.82707 3.552037  9.953846 1.621538   9.000000 3.100000   11.00000 3.400000   27.14106 5.176314   30.51308   4.865557 -3.372021 7.104074 
1 1 1  -11    3   26 o 27.85178 3.525220  9.409678 1.524194   8.800000 2.700000   10.20000 3.500000   27.18685 4.336553   28.51671   5.559049 -1.329865 7.050441 
1 1 1  -11    3   27 o 67.28146 1.770300  52.57273 1.898701   50.10000 3.400000   55.70000 4.300000   65.61896 2.262504   68.94396   2.723403 -3.325005 3.540600 
1 1 1  -11    3   28 o 42.58875 2.706874  22.76901 1.732394   25.60000 3.000000   18.90000 4.100000   46.43043 2.821358   38.74706   4.620456 7.683376 5.413749 
1 1 1  -11    3   29 o 19.87846 4.377530  5.460294 1.698529   2.500000 3.300000   8.600000 3.500000   15.29443 6.150813   24.46250   6.230456 -9.168072 8.755060 
1 1 1  -11    5    1 o 353.9794 3.061308  1435.221 17.53846   1390.400 34.20000   1482.400 36.00000   348.3129 4.287423   359.6459   4.370862 -11.33301 6.122616 
1 1 1  -11    5    2 o 84.90880 1.182338  82.33846 1.615385   86.00000 3.500000   79.20000 3.000000   86.65640 1.763628   83.16120   1.575216 3.495201 2.364676 
1 1 1  -11    5    3 o 105.3219 1.289873  126.9989 2.198864   124.8000 4.300000   129.3000 4.500000   104.3895 1.798669   106.2544   1.849292 -1.864861 2.579746 
1 1 1  -11    5    4 o 377.0868 3.293193  1629.439 20.06816   1644.100 41.80000   1615.900 38.60000   378.7034 4.819664   375.4701   4.489020 3.233276 6.586385 
1 1 1  -11    5    5 o 240.4569 2.285537  662.2169 8.897472   645.7000 17.50000   679.3000 18.10000   237.4081 3.218713   243.5057   3.245706 -6.097610 4.571074 
1 1 1  -11    5    6 o 58.10221 1.039941  38.76410 0.9743590   36.20000 2.000000   41.20000 1.900000   56.22324 1.553295   59.98119   1.383179 -3.757942 2.079881 
1 1 1  -11    5    7 o 189.6725 1.938566  412.2386 5.946218   417.6000 11.60000   406.6000 12.20000   190.9402 2.652774   188.4047   2.827534 2.535538 3.877132 
1 1 1  -11    5    8 o 38.24323 1.453263  16.75000 0.9000000   16.80000 1.800000   16.70000 1.800000   38.30031 2.052154   38.18613   2.058290 0.1141777 2.906526 
1 1 1  -11    5    9 o 206.1393 1.962115  486.3519 6.540458   473.8000 12.60000   499.9000 13.60000   203.3779 2.705244   208.9006   2.842752 -5.522659 3.924230 
1 1 1  -11    5   10 o 394.3226 3.407358  1780.738 21.70402   1750.400 41.50000   1814.000 45.50000   390.8174 4.636752   397.8279   4.994085 -7.010406 6.814716 
1 1 1  -11    5   11 o 341.5669 3.088189  1337.274 17.06881   1325.300 34.80000   1348.800 33.50000   340.0594 4.468524   343.0743   4.263795 -3.014893 6.176379 
1 1 1  -11    5   12 o 375.3922 3.261149  1613.516 19.79849   1657.000 41.10000   1573.100 38.20000   380.2619 4.719529   370.5224   4.501825 9.739532 6.522299 
1 1 1  -11    5   13 o 409.2377 3.530351  1917.363 23.36539   1992.600 48.60000   1847.700 45.00000   416.9536 5.089653   401.5217   4.893766 15.43188 7.060702 
1 1 1  -11    5   14 o 170.3983 1.766916  332.3846 4.868718   338.6000 10.10000   326.6000 9.400000   171.9340 2.565071   168.8625   2.430717 3.071518 3.533833 
1 1 1  -11    5   15 o 259.0435 2.336585  768.7161 9.793623   774.1000 20.10000   763.6000 19.10000   259.9245 3.376669   258.1625   3.230576 1.761993 4.673170 
1 1 1  -11    5   16 o 93.28316 1.373853  99.48915 2.067470   96.20000 3.900000   103.2000 4.400000   91.64643 1.858184   94.91990   2.024115 -3.273468 2.747706 
1 1 1  -11    5   17 o 149.4321 1.748083  255.7941 4.213017   254.8000 8.000000   256.9000 8.900000   149.1301 2.342418   149.7340   2.595429 -0.6039124 3.496166 
1 1 1  -11    5   18 o 104.4838 1.745130  124.7475 2.928814   120.4000 5.400000   129.9000 6.400000   102.5057 2.300305   106.4618   2.624978 -3.956146 3.490260 
1 1 1  -11    5   19 o 59.36845 2.496494  40.45000 2.400000   40.00000 4.800000   40.90000 4.800000   59.03748 3.550203   59.69943   3.510838 -0.6619492 4.992987 
1 1 1  -11    5   20 o 78.32301 1.936935  70.53469 2.448980   74.60000 4.800000   66.30000 5.000000   80.63995 2.599146   76.00607   2.872509 4.633881 3.873870 
1 1 1  -11    5   21 o 22.28913 4.404820  5.709333 1.858667   1.500000 4.100000   9.200000 3.400000   16.90320 6.835459   27.67505   5.557540 -10.77184 8.809640 
1 1 1  -11    5   22 o 50.72283 2.067199  29.43530 1.686765   32.70000 3.700000   26.70000 3.100000   53.28059 3.032302   48.16507   2.810407 5.115524 4.134398 
1 1 1  -11    5   23 o 107.5172 2.220773  134.7945 3.287671   137.5000 5.000000   129.6000 9.600000   109.3870 1.995924   105.6474   3.967823 3.739662 4.441546 
1 1 1  -11    5   24 o 23.22566 4.104775  6.525806 1.509677   5.100000 2.600000   8.500000 3.600000   20.34637 5.464247   26.10495   6.126885 -5.758581 8.209550 
1 1 1  -11    5   25 o 25.86477 4.079478  8.208956 1.510448   7.900000 2.300000   8.800000 4.400000   25.85114 3.884971   25.87839   7.174646 -0.2724648E-01 8.158956 
1 1 1  -11    5   26 o 32.97693 3.544375  12.91316 1.793421   10.70000 2.900000   16.50000 4.700000   29.74765 4.256818   36.20621   5.668322 -6.458565 7.088750 
1 1 1  -11    5   27 o 11.11787 3.683006 -1.762500 1.500000  -1.800000 2.400000  -1.700000 4.000000   9.521218 4.447981   12.71453   5.871421 -3.193310 7.366012 
1 1 1  -11    5   28 o 23.77024 4.604688  8.357778 1.928889   10.10000 2.800000   4.500000 6.200000   28.34391 4.313581   19.19656   8.136683 9.147350 9.209375 
1 1 1  -11    7    1 o 98.08038 1.322988  109.3833 2.070238   118.0000 4.700000   102.6000 3.700000   101.5071 2.021814   94.65368   1.706884 6.853401 2.645975 
1 1 1  -11    7    2 o 116.2941 1.407207  154.8302 2.649057   161.3000 5.400000   148.6000 5.200000   118.6781 1.986840   113.9102   1.993336 4.767906 2.814414 
1 1 1  -11    7    3 o 154.7728 1.596431  274.3463 3.997500   274.5000 8.200000   274.2000 7.800000   154.8143 2.312823   154.7312   2.201184 0.8311462E-01 3.192861 
1 1 1  -11    7    4 o 122.1036 1.417474  170.8054 2.796429   172.3000 5.400000   169.2000 5.800000   122.6586 1.922364   121.5487   2.083615 1.109886 2.834949 
1 1 1  -11    7    5 o 167.8686 1.730564  322.5825 4.686702   325.9000 9.900000   319.6000 8.900000   168.6861 2.562686   167.0510   2.326380 1.635178 3.461128 
1 1 1  -11    7    6 o 202.8332 2.438432  472.3785 7.717721   464.2000 18.20000   478.4000 13.40000   201.2933 3.948043   204.3730   2.862997 -3.079727 4.876863 
1 1 1  -11    7    7 o 263.0274 2.500219  792.3075 10.64624   813.6000 21.70000   771.8000 20.90000   266.4948 3.555583   259.5601   3.515994 6.934723 5.000438 
1 1 1  -11    7    8 o 83.18307 1.280329  78.98840 1.715942   83.60000 3.700000   75.00000 3.200000   85.43954 1.890961   80.92660   1.726627 4.512947 2.560658 
1 1 1  -11    7    9 o 286.9477 2.519109  942.6801 11.67414   957.6000 24.50000   929.1000 22.30000   289.1096 3.700354   284.7858   3.419214 4.323730 5.038218 
1 1 1  -11    7   10 o 226.6632 2.213644  588.5385 8.124308   587.3000 16.10000   589.8000 16.40000   226.4234 3.104877   226.9031   3.156044 -0.4797668 4.427288 
1 1 1  -11    7   11 o 291.7180 2.622764  975.0768 12.34343   976.6000 26.00000   973.7000 23.50000   291.9244 3.889042   291.5116   3.520073 0.4128113 5.245527 
1 1 1  -11    7   12 o 177.9373 1.848223  362.7188 5.324883   366.7000 10.60000   358.7000 10.70000   178.9192 2.586953   176.9554   2.640339 1.963837 3.696447 
1 1 1  -11    7   13 o 135.4034 1.608036  209.7993 3.516312   205.0000 6.700000   215.1000 7.400000   133.7775 2.186913   137.0293   2.358077 -3.251846 3.216072 
1 1 1  -11    7   14 o 157.7639 1.760829  284.6700 4.491111   303.0000 9.400000   267.9000 8.600000   162.6170 2.524071   152.9109   2.455838 9.706085 3.521658 
1 1 1  -11    7   15 o 338.8981 2.985083  1317.191 16.35817   1313.900 31.70000   1320.700 33.80000   338.4780 4.089485   339.3183   4.349598 -0.8403320 5.970166 
1 1 1  -11    7   16 o 45.86736 2.456608  23.82329 1.783562   21.70000 3.100000   26.70000 4.200000   43.50021 3.111788   48.23451   3.802166 -4.734303 4.913216 
1 1 1  -11    7   17 o 16.47411 3.942463  1.327273 1.612121  -4.200000 3.800000   5.400000 2.800000   11.67349 5.498670   21.27474   5.651255 -9.601244 7.884926 
1 1 1  -11    7   18 o 82.00423 1.851974  77.35000 2.450000   69.60000 4.900000   85.10000 4.900000   77.87751 2.747412   86.13095   2.484143 -8.253441 3.703949 
1 1 1  -11    7   19 o 187.4341 2.133265  403.9421 6.474904   401.9000 12.90000   406.0000 13.00000   186.9595 3.012880   187.9087   3.020899 -0.9491425 4.266530 
1 1 1  -11    7   20 o 81.72166 1.681327  76.74494 2.224719   76.30000 4.400000   77.20000 4.500000   81.48454 2.357855   81.95878   2.397490 -0.4742355 3.362653 
1 1 1  -11    7   21 o 90.84207 1.495292  94.73637 2.195454   91.30000 4.200000   98.50000 4.600000   89.12787 2.057669   92.55627   2.170160 -3.428398 2.990584 
1 1 1  -11    7   22 o 41.52713 2.257292  20.17333 1.493333   18.20000 3.200000   21.90000 2.800000   39.54580 3.533372   43.50846   2.810115 -3.962662 4.514583 
1 1 1  -11    7   23 o 31.65078 3.172031  11.89077 1.621538   11.70000 3.100000   12.10000 3.400000   31.42931 4.306917   31.87226   4.658068 -0.4429417 6.344063 
1 1 1  -11    7   24 o 34.28332 3.230281  14.16479 1.774648   11.70000 3.500000   16.70000 3.600000   31.12164 4.910721   37.44500   4.198057 -6.323362 6.460562 
1 1 1  -11    7   25 o 15.81690 4.342959  2.430769 1.624615   1.200000 3.200000   3.700000 3.300000   14.15763 5.913547   17.47618   6.362008 -3.318547 8.685919 
1 1 1  -11    7   26 o 57.58305 2.473031  40.02174 2.282609   41.00000 5.000000   39.20000 4.200000   57.98673 3.765140   57.17936   3.207374 0.8073654 4.946062 
1 1 1  -11    7   27 o 33.32542 4.613412  16.06562 2.348958   14.40000 4.100000   18.30000 5.500000   32.05517 5.798478   34.59567   7.177183 -2.540501 9.226825 
1 1 1  -11    9    1 o 310.8666 2.820963  1107.860 14.19842   1108.800 28.10000   1106.900 28.70000   311.0038 3.945302   310.7294   4.033103 0.2744751 5.641926 
1 1 1  -11    9    2 o 474.2598 3.964887  2580.396 30.43391   2544.100 59.50000   2618.400 62.30000   470.8632 5.517749   477.6565   5.695240 -6.793365 7.929774 
1 1 1  -11    9    3 o 153.7885 1.898735  271.1048 4.724868   281.4000 9.400000   260.7000 9.500000   156.7276 2.618918   150.8494   2.749917 5.878204 3.797470 
1 1 1  -11    9    4 o 175.2232 1.912551  351.7765 5.422120   350.6000 11.10000   352.9000 10.60000   174.9345 2.770685   175.5118   2.637177 -0.5772400 3.825101 
1 1 1  -11    9    5 o 77.77156 1.687196  69.23294 2.122353   71.20000 4.400000   67.40000 4.100000   78.83720 2.437032   76.70592   2.333966 2.131279 3.374392 
1 1 1  -11    9    6 o 225.1244 2.132832  580.3755 7.765274   592.8000 16.10000   568.8000 15.00000   227.4464 3.090912   222.8024   2.939754 4.643921 4.265664 
1 1 1  -11    9    7 o 219.7225 2.109061  552.9304 7.483667   560.1000 15.70000   546.4000 14.30000   221.0762 3.100969   218.3689   2.859466 2.707260 4.218122 
1 1 1  -11    9    8 o 230.8368 2.275329  610.9811 8.495295   603.1000 17.40000   618.5000 16.60000   229.3747 3.312405   232.2989   3.120331 -2.924133 4.550658 
1 1 1  -11    9    9 o 203.8522 2.037408  476.2714 6.724907   482.0000 13.40000   470.5000 13.50000   205.0845 2.853065   202.6199   2.909319 2.464584 4.074815 
1 1 1  -11    9   10 o 118.9571 1.653813  162.4063 3.165354   166.8000 6.000000   157.5000 6.700000   120.6673 2.171209   117.2470   2.495243 3.420273 3.307625 
1 1 1  -11    9   11 f 125.0143 1.742390  179.1071 3.520567   178.9000 7.300000   179.3000 6.800000   124.9409 2.551278   125.0877   2.373745 -0.1467667 3.484779 
1 1 1  -11    9   12 o 76.57586 1.601709  67.14304 1.949367   66.70000 3.500000   67.70000 4.400000   76.29768 2.003071   76.85404   2.499918 -0.5563660 3.203417 
1 1 1  -11    9   13 o 30.95164 3.384154  10.87647 1.676471   13.00000 3.800000   9.200000 3.000000   33.61609 4.936011   28.28720   4.630959 5.328880 6.768308 
1 1 1  -11    9   14 o 31.08232 3.898622  11.27895 1.852632   10.90000 3.200000   11.80000 4.400000   30.77293 4.540679   31.39171   6.338709 -0.6187801 7.797243 
1 1 1  -11    9   15 o 202.3707 2.239664  470.3062 7.287372   466.5000 13.60000   474.7000 15.70000   201.5366 2.946624   203.2048   3.373691 -1.668198 4.479328 
1 1 1  -11    9   16 o 39.29238 2.977552  18.18750 1.687500   19.20000 2.700000   16.50000 4.500000   40.86744 2.884869   37.71733   5.209683 3.150108 5.955104 
1 1 1  -11    9   17 o 102.6818 1.745847  121.1586 2.892241   122.0000 6.100000   120.4000 5.500000   103.0014 2.585987   102.3621   2.346189 0.6393051 3.491695 
1 1 1  -11    9   18 o 78.40012 1.795018  70.53297 2.252747   68.10000 4.100000   73.50000 5.000000   76.93923 2.326889   79.86102   2.733851 -2.921783 3.590036 
1 1 1  -11    9   19 o 19.05741 3.503340  3.545161 1.491935   7.900000 2.500000  -2.900000 3.700000   26.00834 4.197271   12.10648   5.610391 13.90186 7.006680 
1 1 1  -11    9   20 o 30.93387 3.390889  11.65556 1.555556   5.700000 2.800000   19.10000 3.500000   21.43895 5.630494   40.42880   3.780219 -18.98986 6.781778 
1 1 1  -11    9   21 o 37.06858 2.539531  16.14098 1.521312   15.00000 2.900000   17.40000 3.200000   35.70641 3.546431   38.43075   3.635891 -2.724339 5.079062 
1 1 1  -11    9   22 o 36.35059 3.288242  16.18816 1.888158   17.80000 3.500000   14.30000 4.100000   38.61501 3.957780   34.08618   5.252248 4.528831 6.576483 
1 1 1  -11    9   23 f 13.60012 4.083727 0.2179104 1.665672   2.300000 3.100000  -2.200000 3.600000   15.33691 6.028522   11.86333   5.510375 3.473573 8.167455 
1 1 1  -11    9   24 o 14.55572 4.286095  1.165753 1.726027   2.700000 2.800000  -1.300000 4.500000   15.36810 5.809920   13.74334   6.302957 1.624763 8.572189 
1 1 1  -11    9   25 o 18.00989 4.754939  4.475325 1.924675   6.400000 3.900000   2.600000 3.800000   20.38068 6.959750   15.63910   6.480713 4.741578 9.509877 
1 1 1  -11   11    1 o 90.80930 2.168528  94.84286 3.085714   96.00000 5.400000   93.30000 7.200000   91.48792 2.577328   90.13068   3.488186 1.357239 4.337057 
1 1 1  -11   11    2 o 70.95068 1.741802  57.75000 2.000000   60.10000 4.000000   55.40000 4.000000   72.39695 2.412567   69.50440   2.512971 2.892548 3.483605 
1 1 1  -11   11    3 o 72.60184 2.070559  60.61856 2.418557   58.20000 5.100000   62.80000 4.600000   71.21103 3.127250   73.99264   2.714620 -2.781609 4.141117 
1 1 1  -11   11    4 o 121.8708 1.849527  170.3370 3.649315   171.3000 7.400000   169.4000 7.200000   122.2085 2.644053   121.5332   2.586886 0.6753082 3.699053 
1 1 1  -11   11    5 o 67.63278 2.173843  52.48526 2.362105   52.30000 4.400000   52.70000 5.100000   67.51523 2.845710   67.75033   3.286991 -0.2350998 4.347686 
1 1 1  -11   11    6 o 41.52255 2.776120  20.13972 1.808219   22.40000 3.300000   17.40000 4.000000   44.16709 3.262533   38.87801   4.492578 5.289074 5.552241 
1 1 1  -11   11    7 o 165.4197 1.999815  314.1131 5.338318   312.7000 11.20000   315.4000 10.20000   165.0457 2.963149   165.7937   2.686407 -0.7479858 3.999629 
1 1 1  -11   11    8 o 19.16127 4.997098  3.341463 2.039024   4.200000 4.400000   2.600000 3.800000   20.55149 7.364544   17.77106   6.756290 2.780420 9.994196 
1 1 1  -11   11    9 o 20.26311 5.015517  4.239025 2.045122   3.400000 4.300000   5.000000 3.900000   19.39811 7.227210   21.12810   6.956225 -1.729986 10.03103 
1 1 1  -11   11   10 o 100.4242 1.937055  115.7587 3.146825   123.6000 6.500000   108.4000 6.100000   103.7179 2.736525   97.13055   2.742292 6.587311 3.874111 
1 1 1  -11   11   11 o 31.81570 2.925936  11.64667 1.473333   11.30000 2.600000   12.10000 3.400000   31.30491 3.626607   32.32649   4.592616 -1.021576 5.851872 
1 1 1  -11   11   12 o 17.74300 4.097245  2.650000 1.600000  -1.100000 3.200000   6.400000 3.200000   12.52476 5.566169   22.96124   6.013935 -10.43648 8.194489 
1 1 1  -11   11   13 o 83.30280 1.823577  80.07143 2.445918   84.10000 4.700000   75.70000 5.100000   85.52074 2.399751   81.08486   2.746440 4.435875 3.647155 
1 1 1  -11   11   14 o 22.44880 4.141298  6.085246 1.504918   5.200000 2.700000   7.200000 3.400000   20.67811 5.574664   24.21948   6.125726 -3.541368 8.282597 
1 1 1  -11   11   15 o 61.00024 2.372094  43.65761 2.272826   47.00000 4.100000   39.50000 5.100000   63.76979 2.807427   58.23069   3.824353 5.539097 4.744188 
1 1 1  -11   11   16 o 31.98768 4.102226  12.46024 2.074699   11.60000 4.200000   13.30000 4.100000   30.54360 6.215816   33.43175   5.355061 -2.888147 8.204453 
1 1 1  -11   11   17 o 40.78893 2.421971  19.19048 1.485714   18.20000 2.400000   20.80000 3.900000   39.60619 2.645988   41.97167   4.057403 -2.365479 4.843942 
1 1 1  -11   11   18 o 20.09029 3.964628  5.025000 1.398214   7.200000 2.900000   3.000000 2.700000   23.85278 5.430593   16.32781   5.777696 7.524967 7.929257 
1 1 1  -11   11   19 o 58.37365 2.062497  40.00513 1.944872   36.40000 3.700000   44.00000 4.100000   55.61490 2.905028   61.13240   2.928546 -5.517502 4.124993 
1 1 1  -11   11   20 o 16.13370 4.108700  3.081818 1.363636   2.400000 2.500000   3.900000 3.000000   14.75189 5.507826   17.51551   6.098320 -2.763620 8.217400 
1 1 1  -11   11   21 o 11.71088 3.671010 -1.005000 1.485000  -3.700000 3.300000   1.200000 2.700000   10.22624 4.902956   13.19553   5.465003 -2.969291 7.342019 
1 1 1  -11   11   22 o 14.51873 4.551051 0.7929412 2.122353  0.6000000 4.100000   1.000000 4.400000   14.19121 6.303915   14.84625   6.565738 -0.6550417 9.102101 
1 1 1  -11   13    1 o 41.06269 3.126450  20.49615 1.867949   23.00000 3.100000   16.70000 4.700000   44.58019 3.036403   37.54520   5.466170 7.034996 6.252900 
1 1 1  -11   13    2 o 50.12415 2.496790  29.99231 1.938461   35.90000 3.600000   23.10000 4.200000   55.74864 2.819732   44.49966   4.121281 11.24898 4.993581 
1 1 1  -11   13    3 o 40.56408 3.259174  18.68824 2.058824   12.10000 3.500000   28.10000 5.000000   32.11494 4.758835   49.01323   4.454474 -16.89829 6.518347 
1 1 1  -11   13    4 o 16.27624 4.607001  1.428000 1.848000   3.500000 4.200000 -0.2000000 3.300000   19.06439 7.134824   13.48809   5.830275 5.576301 9.214002 
1 1 1  -11   13    5 o 39.32260 3.380533  16.96437 2.022989   11.30000 3.200000   26.70000 5.500000   31.05264 4.499779   47.59255   5.046188 -16.53991 6.761066 
1 1 1  -11   13    6 o 28.34026 4.455842  9.954217 2.074699   6.200000 4.100000   13.80000 4.200000   22.57055 7.107061   34.10998   5.376597 -11.53943 8.911684 
1 1 1  -11   13    7 o 32.46553 3.674515  13.09444 1.794444   16.40000 3.400000   9.400000 3.800000   37.46086 3.963153   27.47020   6.188832 9.990660 7.349029 
1 1 1  -11   13    8 o 57.05240 1.943090  37.61127 1.732394   37.40000 3.000000   37.90000 4.100000   56.94867 2.300263   57.15613   3.132281 -0.2074623 3.886180 
1 1 1  -11   13    9 o 38.10788 3.081126  17.03684 1.894737   15.00000 3.600000   19.30000 4.000000   35.69902 4.403377   40.51673   4.310874 -4.817711 6.162253 
1 1 1  -11   13   10 o 18.54948 4.222267  2.704000 1.858667  -3.200000 4.100000   7.600000 3.400000   12.58119 5.856036   24.51776   6.084159 -11.93657 8.444534 
1 1 1  -11   13   11 o 13.06542 4.054801 -0.8633803 1.673239   1.000000 2.700000  -3.900000 4.400000   13.46080 5.508087   12.67003   5.952025 0.7907753 8.109601 
1 1 1  -11   13   12 o 33.91740 3.025198  13.71818 1.643939   16.90000 3.500000   10.90000 3.100000   37.69192 4.054708   30.14288   4.490727 7.549040 6.050395 
1 1 1  -11   13   13 o 12.72015 3.988583 -1.295522 1.656716   1.300000 3.700000  -3.400000 3.000000   15.39262 6.388059   10.04769   4.777854 5.344922 7.977167 
1 1 1  -11   13   14 o 15.45960 4.094147 0.2400002 1.748571  -5.200000 3.400000   6.000000 3.600000   9.792953 4.762930   21.12625   6.660531 -11.33330 8.188294 
1 1 1  -11   13   15 o 34.51104 3.903817  15.27407 1.888889   15.20000 3.000000   15.40000 5.100000   35.55304 3.684548   33.46904   6.883549 2.084003 7.807633 
1 1 1  -11   13   16 o 17.73161 4.823663  3.000000 1.951220 -0.2000000 3.200000   8.000000 5.000000   12.52690 5.566689   22.93633   7.879269 -10.40943 9.647326 
1 1 1  -11   13   17 o 19.94089 4.811286  5.031818 2.159091   8.400000 3.800000  0.6000000 5.000000   24.22842 6.647776   15.65337   6.957082 8.575057 9.622573 
1 1 1  -11   13   18 o 15.19076 4.408729  1.954930 1.732394   4.900000 4.100000 -0.2000000 3.000000   18.45404 7.017447   11.92748   5.338820 6.526560 8.817457 
1 1 1  -11   15    1 o 13.00299 3.883730 -0.4223882 1.611940   2.600000 2.700000  -4.900000 4.000000   15.10445 5.706439   10.90154   5.269722 4.202914 7.767459 
1 1 1  -11   15    2 o 14.33980 4.558021 -1.556122 2.384694   2.000000 4.100000  -6.500000 5.700000   15.85111 6.661993   12.82848   6.222545 3.022627 9.116041 
1 1 1  -11   15    3 o 14.64162 4.274271  1.419444 1.631944   2.600000 2.500000 -0.8000000 4.700000   14.93916 5.521594   14.34407   6.526070 0.5950899 8.548543 
1 1 1  -11   15    4 o 14.04443 4.484944 -0.5436782 2.174713  -1.100000 4.400000   0.000000 4.300000   13.71889 6.269724   14.36996   6.414783 -0.6510696 8.969888 
1 1 1  -11   15    5 o 15.01432 4.392062  1.595833 1.798611   3.200000 3.500000 -0.1000000 3.700000   16.60833 6.440272   13.42032   5.973587 3.188007 8.784124 
1 1 1  -11   15    6 o 11.30087 3.863666 -4.205405 1.686486  -6.700000 2.600000  0.4000000 4.800000   7.315699 3.663023   15.28604   6.803964 -7.970342 7.727332 
1 1 1  -11   15    7 o 13.03952 4.061506      0.04 1.674627 -0.7000000 3.300000  0.8000000 3.400000   12.27796 5.538775   13.80108   5.941825 -1.523123 8.123012 
1 1 1  -11   15    8 o 14.99785 4.543279  1.241772 1.974684   1.900000 4.000000  0.6000000 3.900000   15.66308 6.581466   14.33261   6.264969 1.330470 9.086557 
1 1 1  -11   15    9 o 15.18906 4.324034  2.206154 1.578462   1.500000 2.700000   3.200000 3.800000   13.55182 5.522424   16.82630   6.655217 -3.274481 8.648068 
1 1 1  -11   15   10 o 10.59142 3.562243 -2.796970 1.612121  -2.500000 2.800000  -3.200000 3.800000   9.847532 4.663165   11.33531   5.386391 -1.487782 7.124487 
1 1 1  -11   15   11 o 13.60755 4.437353 -1.585393 2.143820  -4.700000 3.600000   3.000000 5.300000   10.08515 4.904108   17.12995   7.396630 -7.044803 8.874706 
1 1 1  -10    0    1 f 209.1402 2.568946  501.1000 12.30000   501.1000 12.30000   501.1000 12.30000   209.1402 2.568946   209.1402   2.568946 0.000000 0.000000 
1 1 1  -10    0    2 o 246.4856 2.817559  696.0000 15.90000   696.0000 15.90000   696.0000 15.90000   246.4856 2.817559   246.4856   2.817559 0.000000 0.000000 
1 1 1  -10    0    3 o 121.6687 1.615646  169.6000 4.500000   169.6000 4.500000   169.6000 4.500000   121.6687 1.615646   121.6687   1.615646 0.000000 0.000000 
1 1 1  -10    0    4 o 264.0344 3.259076  798.7000 19.70000   798.7000 19.70000   798.7000 19.70000   264.0344 3.259076   264.0344   3.259076 0.000000 0.000000 
1 1 1  -10    0    5 f 310.7315 3.907995  1106.300 27.80000   1106.300 27.80000   1106.300 27.80000   310.7315 3.907995   310.7315   3.907995 0.000000 0.000000 
1 1 1  -10    0    6 o 564.2228 6.572484  3648.800 84.90000   3648.800 84.90000   3648.800 84.90000   564.2228 6.572484   564.2228   6.572484 0.000000 0.000000 
1 1 1  -10    0    7 o 46.21389 1.135379  24.50000 1.200000   24.50000 1.200000   24.50000 1.200000   46.21389 1.135379   46.21389   1.135379 0.000000 0.000000 
1 1 1  -10    0    8 o 59.06771 1.183868  40.00000 1.600000   40.00000 1.600000   40.00000 1.600000   59.06771 1.183868   59.06771   1.183868 0.000000 0.000000 
1 1 1  -10    0    9 o 26.40539 1.839534  8.100000 1.100000   8.100000 1.100000   8.100000 1.100000   26.40539 1.839534   26.40539   1.839534 0.000000 0.000000 
1 1 1  -10    0   10 o 179.9065 2.573943  370.9000 10.60000   370.9000 10.60000   370.9000 10.60000   179.9065 2.573943   179.9065   2.573943 0.000000 0.000000 
1 1 1  -10    0   11 o 300.5989 3.938125  1035.600 27.10000   1035.600 27.10000   1035.600 27.10000   300.5989 3.938125   300.5989   3.938125 0.000000 0.000000 
1 1 1  -10    0   12 o 398.6174 4.810503  1821.200 43.90000   1821.200 43.90000   1821.200 43.90000   398.6174 4.810503   398.6174   4.810503 0.000000 0.000000 
1 1 1  -10    0   13 o 40.62346 1.726917  19.00000 1.600000   19.00000 1.600000   19.00000 1.600000   40.62346 1.726917   40.62346   1.726917 0.000000 0.000000 
1 1 1  -10    0   14 o 220.3798 4.144392  556.9000 20.90000   556.9000 20.90000   556.9000 20.90000   220.3798 4.144392   220.3798   4.144392 0.000000 0.000000 
1 1 1  -10    0   15 o 207.0475 2.763856  491.2000 13.10000   491.2000 13.10000   491.2000 13.10000   207.0475 2.763856   207.0475   2.763856 0.000000 0.000000 
1 1 1  -10    0   16 o 222.6811 2.981779  568.2000 15.20000   568.2000 15.20000   568.2000 15.20000   222.6811 2.981779   222.6811   2.981779 0.000000 0.000000 
1 1 1  -10    0   17 o 471.2961 5.746230  2546.600 62.00000   2546.600 62.00000   2546.600 62.00000   471.2961 5.746230   471.2961   5.746230 0.000000 0.000000 
1 1 1  -10    0   18 o 114.2418 4.101759  150.1000 10.70000   150.1000 10.70000   150.1000 10.70000   114.2418 4.101759   114.2418   4.101759 0.000000 0.000000 
1 1 1  -10    0   19 o 213.1787 2.950841  520.9000 14.40000   520.9000 14.40000   520.9000 14.40000   213.1787 2.950841   213.1787   2.950841 0.000000 0.000000 
1 1 1  -10    0   20 o 79.94170 2.408308  73.40000 4.400000   73.40000 4.400000   73.40000 4.400000   79.94170 2.408308   79.94170   2.408308 0.000000 0.000000 
1 1 1  -10    0   21 o 86.56790 2.121395  86.00000 4.200000   86.00000 4.200000   86.00000 4.200000   86.56790 2.121395   86.56790   2.121395 0.000000 0.000000 
1 1 1  -10    0   22 o 133.5609 2.617743  204.7000 8.000000   204.7000 8.000000   204.7000 8.000000   133.5609 2.617743   133.5609   2.617743 0.000000 0.000000 
1 1 1  -10    0   23 o 30.19545 4.301652  11.10000 2.800000   11.10000 2.800000   11.10000 2.800000   30.19545 4.301652   30.19545   4.301652 0.000000 0.000000 
1 1 1  -10    0   24 o 99.74732 2.762696  114.5000 6.300000   114.5000 6.300000   114.5000 6.300000   99.74732 2.762696   99.74732   2.762696 0.000000 0.000000 
1 1 1  -10    0   25 o 24.39224 6.423099  8.200000 3.100000   8.200000 3.100000   8.200000 3.100000   24.39224 6.423099   24.39224   6.423099 0.000000 0.000000 
1 1 1  -10    0   26 o 44.64677 3.267712  23.40000 3.300000   23.40000 3.300000   23.40000 3.300000   44.64677 3.267712   44.64677   3.267712 0.000000 0.000000 
1 1 1  -10    0   27 o 6.759195 4.805555 -4.200000 3.200000  -4.200000 3.200000  -4.200000 3.200000   6.759195 4.805555   6.759195   4.805555 0.000000 0.000000 
1 1 1  -10    0   28 o 14.61851 8.046468  4.000000 3.900000   4.000000 3.900000   4.000000 3.900000   14.61851 8.046468   14.61851   8.046468 0.000000 0.000000 
1 1 1  -10    0   29 o 9.174461 6.171628 -0.9000000 3.700000 -0.9000000 3.700000 -0.9000000 3.700000   9.174461 6.171628   9.174461   6.171628 0.000000 0.000000 
1 1 1  -10    2    1 o 410.6054 3.429243  1931.674 22.79956   1914.700 45.80000   1948.500 45.40000   408.8073 4.892002   412.4036   4.806989 -3.596313 6.858486 
1 1 1  -10    2    2 o 576.2353 9.282735  0.000000 0.000000          ?        ?   3810.600 122.5000          ?        ?   576.2353   9.282735       ?       ? 
1 1 1  -10    2    3 f 467.2075 3.806864  2501.492 28.79922   2483.800 57.90000   2519.000 57.30000   465.5608 5.430526   468.8542   5.336500 -3.293457 7.613728 
1 1 1  -10    2    4 o 159.5975 1.578321  291.7258 4.067485   292.3000 7.800000   291.1000 8.500000   159.7625 2.131863   159.4325   2.327993 0.3300018 3.156643 
1 1 1  -10    2    5 o 600.9731 9.619946  0.000000 0.000000          ?        ?   4143.700 132.4000          ?        ?   600.9731   9.619946       ?       ? 
1 1 1  -10    2    6 f 131.5342 1.467884  197.9064 3.115200   202.5000 6.600000   193.8000 5.900000   132.9777 2.167229   130.0907   1.980366 2.887009 2.935768 
1 1 1  -10    2    7 f 512.9324 4.198836  3015.322 34.87498   2984.700 69.80000   3045.900 69.70000   510.3271 5.972367   515.5377   5.903534 -5.210541 8.397672 
1 1 1  -10    2    8 o 343.4038 3.031069  1351.122 16.83798   1350.100 32.80000   1352.200 34.60000   343.2758 4.172250   343.5317   4.397936 -0.2559204 6.062137 
1 1 1  -10    2    9 o 252.4894 2.325179  730.2384 9.483158   727.7000 18.20000   733.0000 19.80000   252.0363 3.153174   252.9425   3.418087 -0.9061584 4.650358 
1 1 1  -10    2   10 o 274.9015 2.448523  865.4624 10.89174   881.8000 22.40000   850.0000 21.20000   277.4228 3.525702   272.3802   3.398599 5.042542 4.897045 
1 1 1  -10    2   11 o 138.2327 1.464697  218.7832 3.265649   217.6000 6.200000   220.1000 6.900000   137.8394 1.964075   138.6260   2.173422 -0.7866211 2.929394 
1 1 1  -10    2   12 o 448.2019 5.601882  0.000000 0.000000          ?        ?   2303.400 57.50000          ?        ?   448.2019   5.601882       ?       ? 
1 1 1  -10    2   13 o 143.4648 3.134957  235.8000 10.30000   235.8000 10.30000          ?        ?   143.4648 3.134957          ?          ?       ?       ? 
1 1 1  -10    2   14 o 485.7525 4.673487  2695.593 32.95702   2664.600 51.80000   2749.800 90.60000   482.1606 4.691133   489.3444   8.084502 -7.183838 9.346973 
1 1 1  -10    2   15 o 335.6376 3.340480  1295.906 16.22432   1309.200 25.60000   1272.900 44.30000   338.0662 3.306572   333.2090   5.805326 4.857147 6.680960 
1 1 1  -10    2   16 o 192.2957 2.523643  415.8272 6.574086   401.1000 9.700000   446.8000 20.40000   187.1396 2.263319   197.4518   4.511374 -10.31213 5.047287 
1 1 1  -10    2   17 o 146.6524 1.755349  242.2579 3.831098   229.5000 6.100000   263.8000 10.30000   141.5581 1.881632   151.7468   2.963859 -10.18866 3.510698 
1 1 1  -10    2   18 o 176.6306 2.159112  356.4393 5.533054   353.6000 8.700000   361.4000 15.20000   175.6975 2.162187   177.5636   3.737915 -1.866043 4.318224 
1 1 1  -10    2   19 o 182.8028 2.132267  383.9439 5.853659   387.3000 9.600000   378.7000 15.00000   183.8642 2.279890   181.7415   3.603935 2.122711 4.264534 
1 1 1  -10    2   20 o 203.7896 2.283879  483.5306 6.975945   509.8000 11.60000   443.9000 17.50000   210.9099 2.401600   196.6692   3.885451 14.24074 4.567758 
1 1 1  -10    2   21 o 120.6168 1.911490  166.4545 3.388966   165.3000 5.400000   168.4000 9.100000   120.1004 1.963310   121.1331   3.280334 -1.032715 3.822981 
1 1 1  -10    2   22 o 119.8637 1.820820  165.4058 3.226277   167.0000 5.200000   162.8000 8.500000   120.6912 1.881340   119.0361   3.118028 1.655174 3.641640 
1 1 1  -10    2   23 f 48.24222 3.040756  28.86667 1.866667   32.30000 2.800000   22.00000 5.600000   53.03289 2.305433   43.45156   5.627589 9.581329 6.081511 
1 1 1  -10    2   24 o 38.29066 3.622901  19.55270 1.763514   25.00000 2.900000   11.10000 4.500000   46.57747 2.718703   30.00384   6.716421 16.57363 7.245803 
1 1 1  -10    2   25 o 83.47105 1.800123  79.57895 2.210526   77.00000 3.500000   84.00000 6.000000   81.81707 1.867944   85.12503   3.077752 -3.307961 3.600246 
1 1 1  -10    2   26 o 88.73608 1.665312  92.16882 2.247312   96.50000 3.800000   85.90000 5.500000   91.50923 1.813253   85.96292   2.793774 5.546310 3.330624 
1 1 1  -10    2   27 o 27.40302 3.928151  10.06176 1.686765   13.80000 3.100000   5.600000 3.700000   33.98306 3.983263   20.82298   6.771640 13.16008 7.856303 
1 1 1  -10    2   28 o 20.96352 4.496764  5.836046 1.922093   8.500000 2.900000  0.6000000 5.700000   25.44210 5.153832   16.48495   7.370317 8.957151 8.993528 
1 1 1  -10    2   29 o 19.72859 4.888587  4.800000 1.527273   3.000000 2.100000   9.600000 5.600000   15.26601 5.107574   24.19116   8.337014 -8.925150 9.777174 
1 1 1  -10    4    1 o 421.7163 3.653766  2038.870 24.94639   2040.500 49.30000   2037.200 50.50000   421.8932 5.102513   421.5395   5.231098 0.3536987 7.307532 
1 1 1  -10    4    2 o 317.8071 2.880665  1157.333 14.82496   1147.100 29.60000   1167.600 29.70000   316.3992 4.085038   319.2151   4.062682 -2.815887 5.761329 
1 1 1  -10    4    3 o 315.6680 2.865913  1141.665 14.64727   1151.700 29.70000   1131.900 28.90000   317.0346 4.090623   314.3015   4.015051 2.733124 5.731827 
1 1 1  -10    4    4 o 264.3821 2.330581  800.6797 9.967419   798.2000 19.40000   803.3000 20.50000   263.9644 3.209195   264.7999   3.380459 -0.8355713 4.661162 
1 1 1  -10    4    5 o 487.2734 4.055541  2722.631 31.99219   2705.700 63.00000   2740.100 65.00000   485.7435 5.663348   488.8033   5.806560 -3.059845 8.111082 
1 1 1  -10    4    6 o 158.3537 2.205979  0.000000 0.000000          ?        ?   287.2000 8.000000          ?        ?   158.3537   2.205979       ?       ? 
1 1 1  -10    4    7 o 315.9236 2.805248  1143.763 14.34983   1168.700 28.80000   1119.000 28.60000   319.3575 3.937813   312.4898   3.996409 6.867676 5.610496 
1 1 1  -10    4    8 o 166.7735 1.686921  318.8665 4.547802   328.5000 8.900000   308.8000 9.300000   169.3536 2.294750   164.1935   2.473243 5.160095 3.373841 
1 1 1  -10    4    9 o 218.7934 2.123522  547.8282 7.514950   568.3000 15.60000   528.8000 14.50000   222.7317 3.058316   214.8550   2.946878 7.876694 4.247045 
1 1 1  -10    4   10 o 156.5668 1.636668  280.3560 4.140361   291.1000 8.700000   270.6000 7.900000   159.4238 2.382900   153.7099   2.244217 5.713882 3.273335 
1 1 1  -10    4   11 o 146.2397 3.075470  245.0000 10.30000   245.0000 10.30000          ?        ?   146.2397 3.075470          ?          ?       ?       ? 
1 1 1  -10    4   12 o 210.9628 2.116554  509.4886 7.205536   515.8000 15.20000   503.8000 13.70000   212.2011 3.127776   209.7245   2.852405 2.476608 4.233107 
1 1 1  -10    4   13 f 398.4413 3.409812  1818.922 21.99080   1800.800 43.10000   1837.800 44.90000   396.4202 4.747458   400.4625   4.895806 -4.042328 6.819624 
1 1 1  -10    4   14 o 163.9346 2.450512  0.000000 0.000000          ?        ?   307.8000 9.200000          ?        ?   163.9346   2.450512       ?       ? 
1 1 1  -10    4   15 o 432.8369 3.723655  2147.882 26.09914   2136.200 51.90000   2159.700 52.50000   431.6546 5.250138   434.0191   5.281900 -2.364502 7.447309 
1 1 1  -10    4   16 o 119.9257 1.584288  164.5480 3.065041   168.3000 6.500000   161.2000 5.800000   121.2164 2.341486   118.6350   2.134788 2.581375 3.168577 
1 1 1  -10    4   17 o 282.4104 3.819055  0.000000 0.000000          ?        ?   914.3000 24.70000          ?        ?   282.4104   3.819055       ?       ? 
1 1 1  -10    4   18 o 145.3170 1.786335  241.5214 4.178572   248.7000 9.000000   235.3000 7.800000   147.3238 2.667529   143.3102   2.376607 4.013672 3.572670 
1 1 1  -10    4   19 o 352.7090 3.128998  1427.186 17.84951   1374.600 34.40000   1483.900 37.10000   345.9828 4.341538   359.4352   4.507056 -13.45245 6.257996 
1 1 1  -10    4   20 o 77.31288 1.950657  65.94286 2.303061   55.90000 3.700000   82.50000 6.100000   69.83125 2.313618   84.79453   3.141244 -14.96328 3.901313 
1 1 1  -10    4   21 o 50.47189 2.471945  29.65454 1.781818   30.60000 2.800000   28.00000 4.900000   51.64694 2.367299   49.29683   4.340271 2.350113 4.943891 
1 1 1  -10    4   22 o 12.67279 3.906193 -1.771428 1.634286   1.200000 2.600000  -6.800000 4.400000   13.84094 5.495306   11.50465   5.552927 2.336297 7.812387 
1 1 1  -10    4   23 o 31.07576 3.599635  11.46714 1.727143   11.60000 3.100000   11.30000 3.900000   31.60333 4.283202   30.54819   5.786507 1.055136 7.199269 
1 1 1  -10    4   24 o 62.01323 2.399140  45.26667 2.000000   46.50000 3.000000   42.80000 6.000000   63.56402 2.060865   60.46244   4.333166 3.101585 4.798280 
1 1 1  -10    4   25 o 71.34776 2.211778  59.32857 2.250000   59.40000 3.500000   59.20000 6.300000   71.73510 2.130473   70.96043   3.876717 0.7746735 4.423556 
1 1 1  -10    4   26 o 18.70524 4.944365  3.693827 1.861728   3.300000 2.900000   4.400000 5.200000   17.00706 5.991100   20.40342   7.867256 -3.396357 9.888730 
1 1 1  -10    4   27 o 37.30696 3.653586  19.63889 1.731945   25.60000 2.900000   10.80000 4.300000   46.65383 2.714254   27.96008   6.784363 18.69375 7.307172 
1 1 1  -10    4   28 o 14.00679 4.257185 0.3722223 1.794444  -1.800000 3.400000   2.800000 3.800000   11.61482 5.380987   16.39875   6.598444 -4.783934 8.514369 
1 1 1  -10    6    1 o 332.8528 2.908115  1269.489 15.67496   1276.200 31.40000   1262.800 31.30000   333.7313 4.108397   331.9742   4.116989 1.757141 5.816229 
1 1 1  -10    6    2 o 69.80232 1.217580  55.76727 1.370909   56.40000 2.900000   55.20000 2.600000   70.17720 1.804437   69.42744   1.635242 0.7497635 2.435161 
1 1 1  -10    6    3 o 302.3141 2.768265  1047.291 13.54926   1034.900 27.30000   1059.500 26.90000   300.5361 3.966484   304.0920   3.862664 -3.555908 5.536530 
1 1 1  -10    6    4 o 150.9754 1.506395  261.1204 3.661225   259.9000 7.800000   262.2000 6.900000   150.6411 2.260949   151.3097   1.991233 -0.6685638 3.012789 
1 1 1  -10    6    5 o 297.4312 2.615909  1013.182 12.59286   1033.300 25.80000   994.0000 24.60000   300.3120 3.751343   294.5504   3.646828 5.761658 5.231819 
1 1 1  -10    6    6 o 95.00481 1.316126  103.8375 1.968750   99.90000 4.500000   106.9000 3.500000   93.39417 2.103936   96.61546   1.581835 -3.221298 2.632251 
1 1 1  -10    6    7 o 377.9949 3.279963  1637.809 20.07248   1632.500 40.60000   1643.000 39.70000   377.3841 4.697666   378.6057   4.578709 -1.221619 6.559927 
1 1 1  -10    6    8 o 406.8541 3.522741  1897.604 23.19989   1965.700 46.50000   1829.800 46.30000   414.1460 4.902743   399.5621   5.059835 14.58389 7.045482 
1 1 1  -10    6    9 o 162.6200 2.065251  300.0019 4.995305   315.3000 13.30000   290.8000 8.000000   165.8952 3.500720   159.3448   2.192259 6.550491 4.130501 
1 1 1  -10    6   10 o 110.6824 1.339113  140.3000 2.400000   142.2000 4.800000   138.4000 4.800000   111.4320 1.880923   109.9329   1.906573 1.499146 2.678225 
1 1 1  -10    6   11 o 181.2276 1.856951  375.8629 5.442661   386.8000 11.30000   365.7000 10.50000   183.7678 2.685027   178.6874   2.565873 5.080475 3.713903 
1 1 1  -10    6   12 o 41.41754 1.714873  19.63044 1.147826   20.10000 2.400000   19.20000 2.200000   41.89153 2.501640   40.94356   2.346264 0.9479675 3.429746 
1 1 1  -10    6   13 o 241.4876 2.340026  668.1819 9.149727   662.3000 18.40000   674.0000 18.20000   240.4291 3.341723   242.5462   3.276549 -2.117081 4.680052 
1 1 1  -10    6   14 o 147.4656 1.696404  249.1333 4.049383   251.8000 8.000000   246.4000 8.200000   148.2657 2.356074   146.6655   2.441325 1.600235 3.392809 
1 1 1  -10    6   15 o 174.5662 1.839494  349.0644 5.198077   353.6000 10.60000   344.7000 10.20000   175.6774 2.634691   173.4549   2.567753 2.222458 3.678988 
1 1 1  -10    6   16 o 82.50406 1.519215  78.09630 2.022222   80.60000 3.900000   75.40000 4.200000   83.88147 2.030197   81.12664   2.260609 2.754829 3.038429 
1 1 1  -10    6   17 o 346.8112 3.168727  1379.253 17.76405   1440.800 37.20000   1323.000 34.00000   354.1817 4.586237   339.4407   4.373758 14.74100 6.337455 
1 1 1  -10    6   18 o 154.3889 1.929833  273.2497 4.823834   266.9000 9.500000   279.8000 9.800000   152.5680 2.718942   156.2099   2.739411 -3.641907 3.859666 
1 1 1  -10    6   19 o 131.3591 1.809955  197.9500 3.850000   196.2000 7.700000   199.7000 7.700000   130.7774 2.570974   131.9409   2.548303 -1.163452 3.619911 
1 1 1  -10    6   20 f 27.45802 3.859799  9.619403 1.665672   14.20000 3.100000   4.300000 3.600000   35.09744 3.856790   19.81861   6.687104 15.27883 7.719597 
1 1 1  -10    6   21 o 82.14602 1.672599  77.54045 2.224719   76.70000 4.400000   78.40000 4.500000   81.69753 2.351709   82.59451   2.379036 -0.8969879 3.345197 
1 1 1  -10    6   22 o 22.90771 4.729265  6.250000 1.950000   8.800000 3.900000   3.700000 3.900000   26.72497 6.446625   19.09046   6.921331 7.634514 9.458530 
1 1 1  -10    6   23 o 14.83990 4.557986 -0.3500000 2.050000  0.6000000 4.100000  -1.300000 4.100000   15.66060 6.626141   14.01920   6.260606 1.641403 9.115972 
1 1 1  -10    6   24 o 47.09289 1.999885  25.79836 1.524590   25.90000 3.100000   25.70000 3.000000   47.17329 2.869493   47.01249   2.786427 0.1608047 3.999771 
1 1 1  -10    6   25 o 51.30537 2.823762  31.07912 2.103297   30.10000 3.300000   32.80000 5.800000   50.72394 2.840800   51.88681   4.881022 -1.162872 5.647523 
1 1 1  -10    6   26 o 40.92280 2.678054  20.19718 1.757746   18.80000 3.200000   21.90000 3.900000   39.50874 3.536686   42.33685   4.022405 -2.828110 5.356107 
1 1 1  -10    6   27 o 50.69563 2.840064  30.33187 2.010989   27.20000 3.000000   36.70000 6.100000   47.88240 2.735804   53.50885   4.977874 -5.626450 5.680128 
1 1 1  -10    8    1 o 105.1808 1.446006  126.7102 2.424490   126.8000 4.400000   126.6000 5.400000   105.2241 1.825901   105.1374   2.242725 0.8663177E-01 2.892012 
1 1 1  -10    8    2 o 171.6941 1.897557  337.6085 5.272038   335.9000 10.30000   339.4000 10.80000   171.2502 2.626309   172.1380   2.739597 -0.8878326 3.795115 
1 1 1  -10    8    3 o 85.50850 1.662360  83.78587 2.298913   85.40000 4.500000   82.10000 4.700000   86.35149 2.275529   84.66551   2.423991 1.685974 3.324720 
1 1 1  -10    8    4 o 230.5002 2.137224  608.6417 7.971160   610.5000 15.60000   606.7000 16.30000   230.8620 2.950611   230.1384   3.092702 0.7235413 4.274449 
1 1 1  -10    8    5 o 33.75810 2.650850  12.99655 1.443103   11.60000 2.700000   14.60000 3.100000   31.81924 3.705218   35.69696   3.792016 -3.877728 5.301700 
1 1 1  -10    8    6 o 253.7211 2.324580  737.5372 9.549739   744.6000 19.00000   730.4000 19.20000   254.9437 3.254236   252.4986   3.320336 2.445099 4.649159 
1 1 1  -10    8    7 o 431.8808 3.735317  2137.727 26.10756   2184.300 53.60000   2093.500 50.90000   436.4560 5.362459   427.3056   5.201384 9.150421 7.470634 
1 1 1  -10    8    8 f 68.06741 1.511449  53.34546 1.636364   55.80000 3.000000   50.40000 3.600000   69.80096 1.876721   66.33388   2.369773 3.467079 3.022897 
1 1 1  -10    8    9 o 46.43305 1.869621  24.73572 1.392857   25.20000 2.600000   24.20000 3.000000   46.90452 2.420462   45.96157   2.850139 0.9429474 3.739242 
1 1 1  -10    8   10 f 152.5400 1.853697  265.8508 4.544262   276.4000 9.900000   256.9000 8.400000   155.3253 2.783125   149.7547   2.449281 5.570618 3.707393 
1 1 1  -10    8   11 o 99.70928 1.547958  113.7120 2.496000   121.2000 5.200000   106.8000 4.800000   102.8608 2.207461   96.55775   2.170670 6.303070 3.095916 
1 1 1  -10    8   12 o 107.4677 1.582040  132.4291 2.749091   136.7000 5.400000   128.0000 5.600000   109.2361 2.158576   105.6992   2.313428 3.536919 3.164079 
1 1 1  -10    8   13 o 55.68745 1.744069  35.10000 1.555556   29.10000 2.800000   42.60000 3.500000   50.39811 2.425959   60.97680   2.506358 -10.57869 3.488138 
1 1 1  -10    8   14 o 251.0479 2.551703  722.4398 10.36145   747.1000 21.50000   699.5000 20.00000   255.1695 3.679166   246.9261   3.536736 8.243393 5.103406 
1 1 1  -10    8   15 o 139.0561 1.879537  221.7692 4.213017   220.4000 8.900000   223.0000 8.000000   138.6385 2.803148   139.4737   2.504595 -0.8352203 3.759073 
1 1 1  -10    8   16 o 79.69595 1.783363  72.87500 2.298913   71.70000 4.700000   74.00000 4.500000   79.06307 2.595756   80.32883   2.446137 -1.265762 3.566726 
1 1 1  -10    8   17 o 97.34316 1.524341  108.7333 2.395833   109.5000 4.600000   107.9000 5.000000   97.70932 2.055709   96.97701   2.251339 0.7323151 3.048683 
1 1 1  -10    8   18 o 114.4911 1.690727  150.6184 3.108800   151.5000 5.800000   149.6000 6.700000   114.8780 2.204604   114.1042   2.563971 0.7738876 3.381453 
1 1 1  -10    8   19 o 91.71312 1.617180  96.37500 2.383333   92.80000 4.400000   100.6000 5.200000   89.88361 2.137528   93.54262   2.427356 -3.659004 3.234360 
1 1 1  -10    8   20 o 48.87523 1.961060  27.52742 1.543548   27.20000 2.900000   27.90000 3.300000   48.58501 2.606366   49.16544   2.930851 -0.5804214 3.922121 
1 1 1  -10    8   21 o 36.82601 3.012884  16.03521 1.774648   18.50000 3.500000   13.50000 3.600000   39.80268 3.839684   33.84935   4.643996 5.953327 6.025767 
1 1 1  -10    8   22 o 31.59348 3.724763  12.03600 1.848000   10.10000 3.300000   14.50000 4.200000   28.54974 5.240325   34.63723   5.294755 -6.087484 7.449527 
1 1 1  -10    8   23 o 38.40193 2.865171  17.75429 1.737143   19.40000 3.200000   15.80000 3.800000   40.57627 3.443639   36.22760   4.580193 4.348667 5.730341 
1 1 1  -10    8   24 o 28.19242 3.865713  10.35735 1.698529   10.10000 3.500000   10.60000 3.300000   27.69608 5.707914   28.68875   5.214850 -0.9926605 7.731426 
1 1 1  -10    8   25 f 20.11330 5.038550  5.609524 2.095238   6.800000 4.000000   4.300000 4.400000   21.70415 7.039872   18.52245   7.210282 3.181692 10.07710 
1 1 1  -10    8   26 o 13.91526 4.355774 -1.845882 2.101177   4.900000 4.700000  -7.300000 3.800000   18.47765 7.371966   9.352863   4.641682 9.124788 8.711549 
1 1 1  -10   10    1 o 100.0740 1.866717  114.7512 3.024793   114.9000 6.000000   114.6000 6.100000   100.1400 2.616274   100.0080   2.663389 0.1319656 3.733434 
1 1 1  -10   10    2 o 293.3917 2.725616  986.8222 12.94691   972.3000 25.50000   1001.800 26.30000   291.2026 3.823707   295.5808   3.885253 -4.378204 5.451231 
1 1 1  -10   10    3 o 86.31935 1.734066  85.06392 2.412371   80.10000 4.500000   90.80000 5.200000   83.61642 2.349961   89.02229   2.550611 -5.405869 3.468131 
1 1 1  -10   10    4 o 112.8216 1.702538  145.0742 3.048387   139.5000 5.400000   152.3000 7.000000   110.3522 2.136743   115.2909   2.651201 -4.938667 3.405075 
1 1 1  -10   10    5 o 115.4104 1.838240  152.1518 3.383942   157.2000 7.600000   148.1000 6.100000   117.1238 2.833401   113.6970   2.342721 3.426826 3.676480 
1 1 1  -10   10    6 o 96.20712 1.654883  106.0573 2.568932   106.2000 4.900000   105.9000 5.400000   96.27805 2.222330   96.13619   2.452712 0.1418610 3.309765 
1 1 1  -10   10    7 o 125.0683 1.777904  179.3000 3.600000   183.7000 7.200000   174.9000 7.200000   126.6045 2.483266   123.5321   2.545027 3.072395 3.555808 
1 1 1  -10   10    8 o 176.0280 1.991047  355.2665 5.674890   351.5000 11.40000   359.0000 11.30000   175.0968 2.842930   176.9592   2.788336 -1.862320 3.982094 
1 1 1  -10   10    9 o 198.1370 2.198504  450.4454 7.049645   436.9000 14.20000   463.8000 14.00000   195.1707 3.176973   201.1034   3.039823 -5.932739 4.397008 
1 1 1  -10   10   10 o 129.9121 1.866509  193.2663 3.912102   188.6000 7.400000   198.5000 8.300000   128.2585 2.519332   131.5657   2.754704 -3.307251 3.733019 
1 1 1  -10   10   11 o 201.0773 2.342062  464.2082 7.622951   464.7000 15.00000   463.7000 15.50000   201.1946 3.255476   200.9600   3.367919 0.2346039 4.684123 
1 1 1  -10   10   12 o 109.6646 1.689282  137.9192 2.999167   139.8000 6.100000   136.1000 5.900000   110.3981 2.412726   108.9311   2.365048 1.467018 3.378564 
1 1 1  -10   10   13 o 48.97688 2.308221  27.64521 1.821918   28.70000 3.500000   26.50000 3.800000   49.96650 3.058643   47.98727   3.457779 1.979229 4.616442 
1 1 1  -10   10   14 f 41.31913 2.689804  19.68056 1.798611   20.40000 3.700000   19.00000 3.500000   42.05041 3.842123   40.58786   3.765404 1.462551 5.379608 
1 1 1  -10   10   15 o 71.79401 1.808306  59.05238 2.080952   56.70000 3.800000   61.90000 4.600000   70.24152 2.362269   73.34648   2.738535 -3.104958 3.616613 
1 1 1  -10   10   16 o 80.12090 1.676924  73.86092 2.174713   77.30000 4.400000   70.50000 4.300000   81.96944 2.343907   78.27235   2.398832 3.697083 3.353848 
1 1 1  -10   10   17 o 13.35645 3.929295 0.1864406 1.471186   1.800000 2.800000  -1.600000 3.100000   14.93070 5.768529   11.78221   5.336808 3.148497 7.858591 
1 1 1  -10   10   18 o 51.63620 2.549063  31.11176 2.124706   34.40000 4.300000   27.90000 4.200000   54.37392 3.453167   48.89848   3.750538 5.475441 5.098127 
1 1 1  -10   10   19 o 30.74985 3.454565  11.71539 1.621538   9.100000 3.400000   14.10000 3.100000   26.91668 5.693456   34.58303   3.914158 -7.666348 6.909130 
1 1 1  -10   10   20 o 48.72149 2.721859  28.24117 2.124706   33.30000 4.300000   23.30000 4.200000   53.18385 3.530436   44.25912   4.143680 8.924736 5.443718 
1 1 1  -10   10   21 o 48.35336 2.705140  28.46867 2.038554   29.90000 3.600000   26.60000 4.700000   50.18202 3.132522   46.52469   4.411172 3.657326 5.410280 
1 1 1  -10   10   22 o 17.23642 3.805348  2.106154 1.624615  -3.900000 3.200000   8.300000 3.300000   9.901809 4.768180   24.57103   5.931877 -14.66922 7.610697 
1 1 1  -10   10   23 o 11.00853 3.531116 -0.9672727 1.374545  -1.900000 2.700000   0.000000 2.800000   10.07995 4.711953   11.93711   5.260478 -1.857152 7.062233 
1 1 1  -10   12    1 o 94.64272 1.755131  103.3037 2.669159   96.50000 5.600000   109.5000 5.100000   91.62960 2.668652   97.65583   2.280403 -6.026230 3.510262 
1 1 1  -10   12    2 o 53.57281 2.450562  32.87765 2.101177   31.00000 3.800000   35.20000 4.700000   51.89597 3.197346   55.24966   3.714565 -3.353691 4.901124 
1 1 1  -10   12    3 o 33.69216 3.768394  13.52405 1.972152   11.50000 4.100000   15.40000 3.800000   30.90305 6.009637   36.48128   4.548344 -5.578232 7.536788 
1 1 1  -10   12    4 o 44.61636 2.492964  22.95000 1.800000   23.90000 3.600000   22.00000 3.600000   45.54611 3.451365   43.68660   3.598272 1.859509 4.985929 
1 1 1  -10   12    5 o 47.80663 2.496544  26.39221 1.916883   25.70000 4.100000   27.00000 3.600000   47.19220 3.793616   48.42105   3.246444 -1.228859 4.993087 
1 1 1  -10   12    6 o 66.13936 2.324243  50.60606 2.474747   56.10000 4.900000   45.00000 5.000000   69.80759 3.065019   62.47114   3.494864 7.336449 4.648485 
1 1 1  -10   12    7 o 31.41465 4.392727  12.11163 2.120930   14.10000 3.800000   9.600000 4.800000   34.84670 4.761696   27.98259   7.383120 6.864105 8.785454 
1 1 1  -10   12    8 o 11.55081 3.748823 -2.325000 1.598437  -3.100000 3.100000  -1.500000 3.300000   10.70757 5.019167   12.39404   5.569798 -1.686470 7.497645 
1 1 1  -10   12    9 o 24.00468 4.058217  7.053334 1.818667   11.60000 3.100000  0.6000000 4.400000   31.61947 4.281016   16.38989   6.895606 15.22958 8.116433 
1 1 1  -10   12   10 o 26.04309 3.874455  7.900000 1.808219   15.90000 4.000000   1.300000 3.300000   36.90120 4.733247   15.18498   6.135305 21.71622 7.748909 
1 1 1  -10   12   11 o 21.65211 4.149949  4.935294 1.647059  0.9000000 2.800000   10.70000 4.000000   13.74958 5.615742   29.55463   6.111607 -15.80504 8.299897 
1 1 1  -10   12   12 o 55.84148 2.101446  36.04211 1.894737   37.20000 4.000000   35.00000 3.600000   56.66995 3.082101   55.01300   2.857438 1.656952 4.202892 
1 1 1  -10   12   13 o 21.12416 4.262270  4.909859 1.771831   9.600000 3.700000  0.6000000 3.400000   27.80677 5.987267   14.44156   6.067982 13.36521 8.524540 
1 1 1  -10   12   14 o 13.84513 4.262703 -0.3250000 1.798611  0.6000000 3.700000  -1.200000 3.500000   14.85472 6.290416   12.83553   5.754409 2.019198 8.525407 
1 1 1  -10   12   15 o 17.59276 4.196560  3.403226 1.535484   5.300000 2.800000   1.100000 3.400000   20.44658 5.742889   14.73894   6.120759 5.707642 8.393120 
1 1 1  -10   12   16 o 19.06675 4.412888  4.056522 1.724638   7.100000 3.500000   1.100000 3.400000   23.41367 6.361694   14.71982   6.117447 8.693852 8.825776 
1 1 1  -10   12   17 o 33.98914 3.354271  14.12973 1.816216   12.40000 3.200000   16.40000 4.200000   31.80052 4.393954   36.17776   5.069291 -4.377247 6.708542 
1 1 1  -10   12   18 o 16.58308 4.434903  2.676712 1.797260 -0.3000000 4.100000   5.000000 3.200000   13.95330 6.243760   19.21286   6.299915 -5.259555 8.869806 
1 1 1  -10   12   19 o 21.60604 4.508356  6.550000 1.700000   5.600000 3.400000   7.500000 3.400000   20.04894 6.489135   23.16313   6.260370 -3.114189 9.016712 
1 1 1  -10   12   20 o 21.68974 4.751310  7.068000 1.874667   8.400000 3.700000   5.700000 3.800000   23.77769 6.574429   19.60180   6.861245 4.175896 9.502621 
1 1 1  -10   14    1 o 15.69246 4.315303 0.8402778 1.798611   4.900000 3.700000  -3.000000 3.500000   19.98175 6.779162   11.40317   5.341379 8.578580 8.630607 
1 1 1  -10   14    2 f 18.17856 4.468665  3.436620 1.766197   5.900000 3.300000  0.6000000 3.800000   21.48055 6.299253   14.87657   6.339974 6.603980 8.937329 
1 1 1  -10   14    3 o 19.40998 4.800627  3.832558 2.075581   6.600000 3.500000 -0.2000000 5.100000   22.63084 6.443400   16.18913   7.118053 6.441717 9.601254 
1 1 1  -10   14    4 o 22.45750 4.038404  6.200000 1.458333   4.200000 2.500000   9.000000 3.500000   18.36017 5.507618   26.55484   5.907703 -8.194674 8.076807 
1 1 1  -10   14    5 o 15.45630 4.635352 0.8555555 2.000000   1.300000 3.600000  0.3000000 4.500000   15.24697 6.312191   15.66562   6.789859 -0.4186440 9.270703 
1 1 1  -10   14    6 o 11.90276 3.988950 -3.826829 1.971951  -2.700000 3.300000  -5.500000 4.900000   11.17162 5.217891   12.63391   6.034940 -1.462289 7.977900 
1 1 1  -10   14    7 f 54.28629 2.116416  34.55000 1.850000   30.40000 3.700000   38.70000 3.700000   50.94820 3.171119   57.62437   2.803724 -6.676170 4.232832 
1 1 1  -10   14    8 f 25.36718 4.725205  7.950603 2.007229   4.100000 3.400000   13.50000 4.900000   18.60837 6.491405   32.12599   6.868180 -13.51762 9.450410 
1 1 1  -10   14    9 o 18.84317 4.932186  3.726506 2.060241   1.300000 3.800000   6.600000 4.500000   15.37341 6.434696   22.31293   7.476666 -6.939516 9.864372 
1 1 1  -10   14   10 o 19.08574 4.242906  4.767797 1.454237   4.900000 2.600000   4.600000 3.300000   19.32668 5.569636   18.84479   6.402199 0.4818974 8.485812 
1 1 1  -10   14   11 o 29.17712 4.188234  11.62564 1.948718   6.600000 4.000000   16.40000 3.800000   21.87015 7.034271   36.48408   4.547994 -14.61393 8.376469 
1 1 1  -10   14   12 f 16.14239 4.712998  2.331250 1.968750   2.500000 4.500000   2.200000 3.500000   16.80609 7.015582   15.47869   6.295317 1.327399 9.425996 
1 1 1  -10   14   13 o 11.38190 3.731857 -1.857576 1.643939  -1.200000 3.100000  -2.600000 3.500000   11.50125 5.258722   11.26254   5.296495 0.2387104 7.463713 
1 1 1  -10   14   14 o 19.13639 4.456918  4.987692 1.621538   3.700000 3.100000   6.400000 3.400000   17.01112 6.170249   21.26166   6.433080 -4.250546 8.913836 
1 1 1  -10   14   15 o 19.39454 4.760069  4.794117 2.124706  0.1000000 4.200000   9.600000 4.300000   13.93596 6.271178   24.85313   7.162775 -10.91717 9.520138 
1 1 1   -9    1    1 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -9    1    2 o 490.5401 7.842257  0.000000 0.000000          ?        ?   2758.500 88.10000          ?        ?   490.5401   7.842257       ?       ? 
1 1 1   -9    1    3 o 448.6145 7.202746  0.000000 0.000000          ?        ?   2306.700 74.00000          ?        ?   448.6145   7.202746       ?       ? 
1 1 1   -9    1    4 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -9    1    5 o 149.0058 1.460032  253.4426 3.510638   237.2000 6.600000   271.9000 7.500000   143.9221 2.002425   154.0894   2.125339 -10.16733 2.920063 
1 1 1   -9    1    6 o 353.1231 3.060683  1428.385 17.49771   1478.400 35.40000   1379.500 34.60000   359.2360 4.302918   347.0102   4.353850 12.22577 6.121366 
1 1 1   -9    1    7 o 279.2017 2.482817  892.4831 11.21559   878.5000 21.80000   907.3000 23.10000   276.9516 3.437101   281.4517   3.583833 -4.500122 4.965634 
1 1 1   -9    1    8 o 336.1365 2.879229  1292.810 15.65008   1342.100 32.60000   1247.300 30.10000   342.2890 4.158765   329.9840   3.983027 12.30496 5.758458 
1 1 1   -9    1    9 f 246.8566 2.890824  683.0910 10.54374   638.8000 16.60000   760.2000 28.90000   236.1558 3.069369   257.5573   4.899635 -21.40146 5.781648 
1 1 1   -9    1   10 o 240.4596 2.706437  657.3510 9.203202   645.3000 14.10000   680.0000 26.50000   237.3550 2.593943   243.5642   4.750858 -6.209229 5.412873 
1 1 1   -9    1   11 o 78.56799 1.384366  70.09000 1.698571   66.90000 2.900000   74.60000 4.100000   76.43080 1.656797   80.70518   2.218310 -4.274376 2.768732 
1 1 1   -9    1   12 o 679.9031 6.427677  5269.212 62.62294   5160.800 97.00000   5466.700 176.7000   670.7531 6.314642   689.0532   11.19756 -18.30005 12.85535 
1 1 1   -9    1   13 o 308.1082 3.336385  1081.857 14.27567   1068.700 21.60000   1107.500 42.10000   305.4415 3.087916   310.7749   5.915288 -5.333405 6.672770 
1 1 1   -9    1   14 f 239.2859 2.933649  655.5270 10.61798   653.6000 17.50000   658.5000 27.00000   238.8693 3.199023   239.7025   4.918480 -0.8331909 5.867299 
1 1 1   -9    1   15 f 30.10369 2.334777  10.56364 1.063636   11.30000 1.800000   9.500000 2.600000   31.41093 2.502254   28.79646   3.942520 2.614466 4.669554 
1 1 1   -9    1   16 o 564.2963 5.323435  3674.982 44.53099   3742.200 72.20000   3566.800 116.2000   571.3463 5.517946   557.2463   9.105391 14.09998 10.64687 
1 1 1   -9    1   17 o 191.3249 2.167144  415.1927 6.014559   404.1000 9.400000   434.9000 16.70000   187.8347 2.185203   194.8151   3.743119 -6.980408 4.334288 
1 1 1   -9    1   18 o 66.26042 1.943763  50.22195 1.971951   49.90000 3.300000   50.70000 4.900000   66.00321 2.183175   66.51764   3.216614 -0.5144272 3.887526 
1 1 1   -9    1   19 o 185.0739 2.187773  389.9079 5.769170   383.4000 8.900000   401.9000 16.40000   182.9411 2.124312   187.2066   3.825272 -4.265488 4.375546 
1 1 1   -9    1   20 o 66.85112 2.305053  51.30928 2.288660   51.50000 3.700000   51.00000 6.000000   67.03664 2.410067   66.66560   3.929970 0.3710480 4.610107 
1 1 1   -9    1   21 o 206.9944 2.419241  488.0320 7.134185   479.0000 11.00000   504.7000 20.30000   204.4163 2.349724   209.5724   4.229622 -5.156128 4.838482 
1 1 1   -9    1   22 o 61.42252 2.009570  43.91299 1.831169   45.90000 3.000000   40.80000 4.700000   63.26849 2.070492   59.57654   3.444786 3.691948 4.019140 
1 1 1   -9    1   23 o 91.74517 1.864129  96.42500 2.543519   95.40000 4.100000   98.10000 6.700000   91.18153 1.963436   92.30881   3.169358 -1.127274 3.728259 
1 1 1   -9    1   24 o 78.19041 2.149803  69.58113 2.437736   67.00000 3.800000   74.20000 6.800000   76.34229 2.173492   80.03854   3.709791 -3.696259 4.299607 
1 1 1   -9    1   25 o 14.75886 4.219632 0.6710145 1.663768   2.700000 2.800000  -2.300000 4.100000   16.22566 5.867346   13.29206   6.065924 2.933599 8.439264 
1 1 1   -9    1   26 o 15.71861 4.399158  1.954545 1.553030   1.500000 2.500000   2.700000 4.100000   13.80167 5.417374   17.63554   6.932706 -3.833870 8.798316 
1 1 1   -9    1   27 o 23.73299 4.627570  6.591139 1.835443   2.700000 2.900000   13.30000 5.000000   15.95924 5.937328   31.50673   7.099701 -15.54749 9.255140 
1 1 1   -9    1   28 o 16.55341 4.566687  2.816901 1.695775   1.200000 2.800000   5.300000 4.300000   13.37635 5.554667   19.73047   7.250117 -6.354123 9.133374 
1 1 1   -9    1   29 o 39.07642 2.586779  18.78154 1.624615   16.70000 3.300000   20.80000 3.200000   36.74432 3.921602   41.40853   3.374426 -4.664211 5.173559 
1 1 1   -9    3    1 o 557.9924 4.584421  3567.511 41.41702   3529.200 81.70000   3606.900 84.00000   554.9581 6.428380   561.0267   6.537858 -6.068604 9.168841 
1 1 1   -9    3    2 o 93.06602 1.227434  99.12973 1.848649   101.8000 3.800000   96.60000 3.600000   94.28578 1.759856   91.84628   1.711515 2.439507 2.454868 
1 1 1   -9    3    3 o 662.1326 6.550609  5058.015 67.74271   4832.700 157.8000   5227.500 118.7000   648.9697 10.61750   675.2954   7.675323 -26.32574 13.10122 
1 1 1   -9    3    4 o 389.2256 3.364455  1735.555 21.19045   1730.500 43.30000   1740.400 41.50000   388.6669 4.864633   389.7843   4.649042 -1.117401 6.728910 
1 1 1   -9    3    5 o 372.5800 3.289845  1589.318 19.83186   1627.900 40.90000   1553.000 38.50000   376.9641 4.737650   368.1958   4.565849 8.768280 6.579690 
1 1 1   -9    3    6 o 914.5826 14.65734  0.000000 0.000000          ?        ?   9633.900 307.0000          ?        ?   914.5826   14.65734       ?       ? 
1 1 1   -9    3    7 o 364.1893 3.243459  1518.228 19.08026   1481.400 36.40000   1558.800 40.10000   359.5620 4.420458   368.8165   4.747596 -9.254425 6.486919 
1 1 1   -9    3    8 o 408.2786 3.467282  1910.144 22.91298   1948.400 46.90000   1873.600 44.80000   412.2683 4.967440   404.2889   4.838669 7.979431 6.934564 
1 1 1   -9    3    9 o 189.5858 1.824241  410.8594 5.578125   396.0000 10.50000   427.7000 11.90000   185.9389 2.465805   193.2327   2.689095 -7.293762 3.648483 
1 1 1   -9    3   10 o 370.8069 3.196225  1577.151 19.17106   1527.600 38.90000   1625.300 37.80000   365.0489 4.653057   376.5649   4.383204 -11.51602 6.392450 
1 1 1   -9    3   11 o 100.9898 1.222948  116.8000 2.000000   116.6000 4.000000   117.0000 4.000000   100.9033 1.730989   101.0762   1.728027 -0.1729584 2.445895 
1 1 1   -9    3   12 o 356.7019 3.809953  1465.349 21.28525   1413.900 49.40000   1504.300 37.40000   351.1088 6.143628   362.2950   4.507638 -11.18613 7.619906 
1 1 1   -9    3   13 o 359.0257 4.057094  1480.903 22.36976   1494.700 37.80000   1460.900 54.80000   361.1574 4.570198   356.8941   6.704724 4.263306 8.114187 
1 1 1   -9    3   14 o 326.5690 2.916878  1221.804 15.42301   1225.900 31.20000   1217.800 30.50000   327.1086 4.164879   326.0295   4.084911 1.079010 5.833756 
1 1 1   -9    3   15 o 244.8269 2.276158  686.2726 9.019391   705.9000 18.50000   667.6000 17.60000   248.2401 3.254165   241.4138   3.183394 6.826294 4.552317 
1 1 1   -9    3   16 o 104.1662 1.422707  124.1417 2.395833   120.5000 4.600000   128.1000 5.000000   102.5741 1.958213   105.7582   2.064408 -3.184135 2.845413 
1 1 1   -9    3   17 o 169.7516 2.277780  331.0105 6.109274   336.9000 10.90000   323.5000 13.90000   171.4878 2.775447   168.0154   3.612481 3.472443 4.555560 
1 1 1   -9    3   18 o 332.4510 3.357599  1264.273 16.30442   1252.900 25.80000   1283.800 44.30000   330.5995 3.407667   334.3026   5.786336 -3.703094 6.715198 
1 1 1   -9    3   19 o 63.84010 2.052886  45.96024 1.915663   43.90000 3.000000   49.60000 5.300000   61.90458 2.116110   65.77561   3.518444 -3.871037 4.105773 
1 1 1   -9    3   20 o 180.6071 2.174345  373.5387 5.860887   371.7000 9.500000   376.5000 15.30000   180.0900 2.303423   181.1242   3.688542 -1.034180 4.348690 
1 1 1   -9    3   21 o 140.0766 1.828837  226.0882 3.812422   229.4000 6.200000   220.8000 9.900000   141.4714 1.913651   138.6819   3.117132 2.789505 3.657673 
1 1 1   -9    3   22 o 146.6628 2.011069  245.6629 4.340322   241.1000 6.900000   253.4000 11.70000   144.9634 2.078407   148.3621   3.443519 -3.398758 4.022139 
1 1 1   -9    3   23 o 16.31331 4.138293 0.7324675 1.753247   4.800000 2.700000  -6.800000 5.000000   19.99574 5.647553   12.63089   6.050375 7.364842 8.276587 
1 1 1   -9    3   24 o 72.14864 1.969923  60.20000 2.160000   60.80000 3.600000   59.30000 5.400000   72.70518 2.162105   71.59209   3.293582 1.113091 3.939845 
1 1 1   -9    3   25 o 81.51166 1.927463  74.60000 2.200000   69.60000 3.300000   84.60000 6.600000   77.77029 1.852848   85.25302   3.380445 -7.482727 3.854926 
1 1 1   -9    3   26 o 51.99191 2.709719  30.70225 1.955056   27.90000 2.900000   36.50000 6.000000   48.97690 2.585511   55.00692   4.762924 -6.030018 5.419438 
1 1 1   -9    3   27 o 39.55222 3.231462  17.83690 1.898810   12.90000 2.900000   27.20000 5.500000   32.65122 3.878272   46.45323   5.169952 -13.80201 6.462925 
1 1 1   -9    3   28 o 48.04314 3.000271  28.84483 1.965517   29.50000 3.000000   27.60000 5.700000   49.97561 2.621217   46.11068   5.397752 3.864922 6.000542 
1 1 1   -9    3   29 o 20.88026 4.958585  6.644578 1.915663   6.500000 3.000000   6.900000 5.300000   21.18713 5.942189   20.57338   7.939814 0.6137505 9.917170 
1 1 1   -9    5    1 o 227.2272 2.194627  591.5065 8.074304   592.2000 16.00000   590.8000 16.30000   227.3627 3.072843   227.0917   3.134195 0.2710266 4.389253 
1 1 1   -9    5    2 o 59.02467 1.105158  39.95714 1.040476   39.30000 2.300000   40.50000 1.900000   58.58015 1.714419   59.46920   1.395087 -0.8890495 2.210317 
1 1 1   -9    5    3 o 151.9355 1.514762  264.4665 3.723490   261.1000 7.600000   267.7000 7.300000   150.9864 2.197938   152.8846   2.084965 -1.898163 3.029523 
1 1 1   -9    5    4 o 297.0684 2.723203  1011.263 13.09981   1007.900 26.30000   1014.600 26.10000   296.5752 3.872226   297.5616   3.830040 -0.9864502 5.446405 
1 1 1   -9    5    5 f 197.6140 1.929814  447.1842 6.170041   453.2000 12.70000   441.5000 12.00000   198.9045 2.788038   196.3235   2.669001 2.581070 3.859627 
1 1 1   -9    5    6 o 314.1785 2.845860  1131.340 14.47150   1140.200 28.50000   1122.200 29.40000   315.4333 3.945273   312.9237   4.102500 2.509552 5.691721 
1 1 1   -9    5    7 o 355.8757 3.045329  1451.334 17.54872   1443.700 34.80000   1459.100 35.40000   354.9335 4.281264   356.8180   4.332077 -1.884552 6.090658 
1 1 1   -9    5    8 o 128.0344 1.534402  187.8354 3.165354   189.3000 6.000000   186.2000 6.700000   128.5645 2.037840   127.5043   2.294508 1.060135 3.068805 
1 1 1   -9    5    9 o 510.1973 5.171764  2993.743 41.40758   2941.400 96.20000   3033.300 72.70000   506.1118 8.299812   514.2827   6.172657 -8.170898 10.34353 
1 1 1   -9    5   10 o 119.3035 1.527145  162.8085 2.942373   167.8000 6.200000   158.3000 5.600000   121.0407 2.236660   117.5662   2.079912 3.474480 3.054289 
1 1 1   -9    5   11 f 122.9741 2.165987  173.2000 6.100000   173.2000 6.100000          ?        ?   122.9741 2.165987          ?          ?       ?       ? 
1 1 1   -9    5   12 o 254.0952 2.314937  739.5236 9.524409   755.7000 19.20000   723.6000 18.90000   256.8527 3.264050   251.3377   3.283551 5.514923 4.629874 
1 1 1   -9    5   13 o 446.7346 3.729124  2286.910 26.95551   2260.100 52.50000   2315.200 55.40000   444.0541 5.162537   449.4152   5.382720 -5.361115 7.458247 
1 1 1   -9    5   14 o 111.6355 1.549086  142.7500 2.800000   139.9000 5.600000   145.6000 5.600000   110.5207 2.212504   112.7503   2.168754 -2.229530 3.098171 
1 1 1   -9    5   15 o 124.6784 1.438278  177.8466 2.886207   175.1000 5.400000   181.0000 6.200000   123.6472 1.906994   125.7096   2.153590 -2.062401 2.876556 
1 1 1   -9    5   16 f 81.65678 1.497242  76.49873 1.972152   79.00000 3.800000   73.80000 4.100000   83.04820 1.997989   80.26535   2.230465 2.782852 2.994484 
1 1 1   -9    5   17 o 327.0342 2.983584  1226.677 15.72076   1228.900 33.40000   1224.700 29.70000   327.2813 4.456203   326.7872   3.968544 0.4941406 5.967167 
1 1 1   -9    5   18 o 243.4935 2.345824  679.7894 9.245676   692.1000 18.90000   668.0000 18.10000   245.6459 3.359634   241.3411   3.274817 4.304825 4.691648 
1 1 1   -9    5   19 o 165.8624 1.917032  314.9592 5.137864   328.8000 10.80000   302.4000 9.800000   169.3260 2.785094   162.3988   2.635014 6.927170 3.834064 
1 1 1   -9    5   20 o 52.65044 2.257023  31.70649 1.916883   28.20000 3.600000   35.70000 4.100000   49.55088 3.172421   55.74998   3.211285 -6.199100 4.514045 
1 1 1   -9    5   21 o 75.82204 1.996193  66.06531 2.448980   70.30000 5.000000   62.00000 4.800000   78.20602 2.791705   73.43807   2.854038 4.767944 3.992386 
1 1 1   -9    5   22 o 71.74934 1.773121  59.25823 1.807595   59.40000 2.800000   59.00000 5.100000   71.95335 1.699209   71.54532   3.112638 0.4080353 3.546241 
1 1 1   -9    5   23 o 57.98336 2.523925  40.16000 2.160000   44.20000 3.600000   34.10000 5.400000   61.92375 2.538545   54.04296   4.363091 7.880787 5.047849 
1 1 1   -9    5   24 o 53.60397 2.023774  33.30000 1.737143   33.30000 3.200000   33.30000 3.800000   53.65912 2.604031   53.54883   3.098656 0.1102943 4.047548 
1 1 1   -9    5   25 o 50.96238 2.463570  30.20526 1.603947   29.60000 2.300000   31.60000 5.300000   50.60848 1.984469   51.31627   4.509833 -0.7077904 4.927140 
1 1 1   -9    5   26 o 21.27494 4.793752  6.076543 1.861728   6.900000 2.900000   4.600000 5.200000   22.83615 5.590247   19.71372   7.789054 3.122425 9.587503 
1 1 1   -9    5   27 o 13.46617 4.056857 0.8359375 1.523438   1.500000 2.500000 -0.2000000 3.900000   13.27923 5.348939   13.65312   6.100919 -0.3738909 8.113714 
1 1 1   -9    5   28 o 18.63350 5.086202  4.548837 1.888372   2.400000 2.800000   9.000000 5.800000   14.56717 5.728302   22.69983   8.406210 -8.132654 10.17240 
1 1 1   -9    7    1 o 153.4032 1.539965  269.0471 3.811765   279.0000 8.100000   260.2000 7.200000   156.0770 2.266135   150.7293   2.085809 5.347656 3.079930 
1 1 1   -9    7    2 o 226.6409 2.187072  588.0389 8.011838   598.6000 16.70000   578.3000 15.40000   228.5928 3.190022   224.6889   2.992807 3.903885 4.374144 
1 1 1   -9    7    3 o 437.1656 3.820652  2189.775 27.02921   2250.000 55.60000   2132.800 52.60000   443.0042 5.480330   431.3269   5.324991 11.67725 7.641305 
1 1 1   -9    7    4 o 278.7582 2.595037  889.5391 11.65192   903.0000 24.90000   877.7000 21.90000   280.7293 3.873034   276.7870   3.454920 3.942261 5.190073 
1 1 1   -9    7    5 o 190.0871 2.305233  412.3107 6.828470   424.1000 16.40000   403.9000 11.70000   192.3929 3.722155   187.7813   2.720654 4.611603 4.610466 
1 1 1   -9    7    6 o 148.1197 1.760424  251.9536 4.178572   259.8000 7.800000   242.9000 9.000000   150.6132 2.261369   145.6262   2.698626 4.986954 3.520848 
1 1 1   -9    7    7 o 203.5030 2.010209  474.1042 6.620378   485.6000 13.60000   463.2000 12.90000   205.9048 2.884112   201.1012   2.801010 4.803574 4.020418 
1 1 1   -9    7    8 o 303.9099 2.814407  1057.554 13.83195   1036.300 26.70000   1080.400 28.70000   300.7484 3.876570   307.0714   4.081147 -6.323029 5.628814 
1 1 1   -9    7    9 o 235.4866 2.202610  634.9429 8.395238   650.3000 17.20000   620.3000 16.40000   238.2660 3.152144   232.7072   3.077327 5.558777 4.405219 
1 1 1   -9    7   10 o 145.0427 1.639179  240.9500 3.850000   242.5000 7.700000   239.4000 7.700000   145.5093 2.310679   144.5760   2.325595 0.9332733 3.278358 
1 1 1   -9    7   11 o 106.5705 1.451741  130.2400 2.496000   133.6000 4.800000   126.6000 5.200000   108.0055 1.940595   105.1356   2.159700 2.869987 2.903483 
1 1 1   -9    7   12 o 165.8394 1.881153  315.0307 5.045545   314.4000 9.800000   315.7000 10.40000   165.6702 2.582982   166.0086   2.735536 -0.3383636 3.762307 
1 1 1   -9    7   13 o 30.68345 2.619379  10.80000 1.300000   11.40000 2.600000   10.20000 2.600000   31.53731 3.599883   29.82959   3.805973 1.707718 5.238759 
1 1 1   -9    7   14 o 272.4300 2.555781  850.3198 11.25898   871.8000 23.40000   830.4000 21.70000   275.7342 3.705655   269.1258   3.520823 6.608398 5.111563 
1 1 1   -9    7   15 o 100.5133 1.566574  115.7059 2.549020   118.0000 5.200000   113.5000 5.000000   101.4898 2.237281   99.53676   2.193442 1.953087 3.133147 
1 1 1   -9    7   16 o 236.1469 2.340327  639.4207 8.945531   627.2000 17.50000   652.2000 18.30000   233.8446 3.267762   238.4493   3.351157 -4.604706 4.680655 
1 1 1   -9    7   17 o 136.7991 1.772903  214.3478 3.912102   210.2000 7.400000   219.0000 8.300000   135.4052 2.386361   138.1929   2.622599 -2.787735 3.545807 
1 1 1   -9    7   18 o 100.7915 1.747030  116.5377 2.846491   116.9000 5.900000   116.2000 5.500000   100.9363 2.552373   100.6466   2.386179 0.2896881 3.494061 
1 1 1   -9    7   19 o 69.22054 1.986207  54.64944 2.191011   51.10000 3.900000   59.20000 5.000000   66.69820 2.553231   71.74286   3.043204 -5.044655 3.972415 
1 1 1   -9    7   20 o 67.09046 1.893955  51.58049 2.019512   50.00000 3.600000   53.60000 4.600000   65.95717 2.383308   68.22375   2.944163 -2.266586 3.787909 
1 1 1   -9    7   21 o 72.55472 1.787036  60.53333 2.095238   58.20000 4.000000   63.10000 4.400000   71.10011 2.456572   74.00934   2.596007 -2.909233 3.574073 
1 1 1   -9    7   22 o 12.66643 3.800411      0.04 1.370909  -1.000000 2.600000   1.200000 2.900000   11.10428 4.970273   14.22858   5.750556 -3.124303 7.600823 
1 1 1   -9    7   23 o 63.96588 2.124873  47.51818 2.181818   45.20000 4.000000   50.30000 4.800000   62.33194 2.802135   65.59982   3.195055 -3.267879 4.249745 
1 1 1   -9    7   24 o 15.65138 4.064960  2.378947 1.424561   4.000000 2.800000  0.7000000 2.900000   17.98232 5.892866   13.32044   5.600868 4.661878 8.129919 
1 1 1   -9    7   25 o 15.48817 4.661208  1.402439 2.048780   1.300000 4.200000   1.500000 4.000000   15.51822 6.640633   15.45811   6.542892 0.6011486E-01 9.322416 
1 1 1   -9    7   26 o 23.06628 3.786997  7.587500 1.543750   2.600000 3.800000   11.00000 2.600000   16.13505 6.560615   29.99750   3.784670 -13.86245 7.573994 
1 1 1   -9    9    1 o 179.9969 1.863639  369.8097 5.374194   355.9000 9.800000   386.7000 11.90000   176.2681 2.427684   183.7257   2.828243 -7.457626 3.727278 
1 1 1   -9    9    2 o 144.3411 1.711329  238.6500 4.000000   240.4000 8.000000   236.9000 8.000000   144.8705 2.411292   143.8117   2.429045 1.058807 3.422658 
1 1 1   -9    9    3 o 239.5386 2.358487  656.8844 9.140164   681.0000 18.90000   634.3000 17.70000   243.7901 3.385209   235.2871   3.284845 8.502975 4.716974 
1 1 1   -9    9    4 o 250.3733 2.430435  717.8315 9.829441   729.7000 20.60000   707.0000 18.80000   252.3448 3.564614   248.4018   3.304782 3.943008 4.860869 
1 1 1   -9    9    5 o 80.97186 1.583838  75.11446 2.072289   75.50000 4.000000   74.70000 4.300000   81.18850 2.151321   80.75523   2.325078 0.4332733 3.167676 
1 1 1   -9    9    6 o 170.9243 1.798791  334.8257 4.971859   339.7000 9.700000   329.7000 10.20000   172.2035 2.459628   169.6450   2.625420 2.558502 3.597582 
1 1 1   -9    9    7 o 217.5325 2.045737  541.5969 7.171875   552.7000 15.30000   531.8000 13.50000   219.6214 3.041981   215.4437   2.736149 4.177765 4.091474 
1 1 1   -9    9    8 o 104.5559 1.653118  124.8179 2.785714   117.9000 5.200000   132.8000 6.000000   101.4482 2.238198   107.6636   2.433447 -6.215378 3.306236 
1 1 1   -9    9    9 o 233.0565 2.324888  622.2094 8.766382   605.5000 17.00000   640.0000 18.10000   229.8326 3.229810   236.2805   3.344956 -6.447876 4.649775 
1 1 1   -9    9   10 o 38.64721 3.257753  17.49240 1.936709   19.30000 3.400000   15.10000 4.500000   41.02984 3.618418   36.26458   5.418382 4.765263 6.515505 
1 1 1   -9    9   11 f 131.4029 1.884093  198.0800 3.990000   194.3000 8.400000   201.5000 7.600000   130.2010 2.817116   132.6047   2.502616 -2.403763 3.768187 
1 1 1   -9    9   12 o 37.14983 2.576328  15.81935 1.548387   16.80000 3.200000   14.90000 3.000000   38.26397 3.651738   36.03568   3.635200 2.228298 5.152657 
1 1 1   -9    9   13 o 170.7554 2.007528  334.2234 5.542793   329.5000 10.70000   339.3000 11.50000   169.5118 2.756281   171.9991   2.919520 -2.487259 4.015057 
1 1 1   -9    9   14 o 88.40692 1.780728  89.51961 2.546078   85.10000 4.900000   94.30000 5.300000   86.14053 2.483867   90.67331   2.552326 -4.532784 3.561455 
1 1 1   -9    9   15 o 88.37700 1.799071  89.57185 2.572816   94.10000 5.300000   85.30000 5.000000   90.54491 2.555945   86.20910   2.532542 4.335808 3.598142 
1 1 1   -9    9   16 o 54.45368 2.144010  34.30933 1.874667   38.70000 3.700000   29.80000 3.800000   58.02529 2.784352   50.88207   3.261058 7.143219 4.288020 
1 1 1   -9    9   17 o 98.92526 1.716901  112.4527 2.749091   117.9000 5.600000   107.2000 5.400000   101.2799 2.414374   96.57063   2.441678 4.709251 3.433801 
1 1 1   -9    9   18 o 61.10905 2.083609  43.20975 2.039024   44.60000 3.800000   41.60000 4.400000   62.21475 2.667042   60.00336   3.201967 2.211391 4.167218 
1 1 1   -9    9   19 o 25.59007 3.857564  8.027419 1.543548   8.400000 3.300000   7.700000 2.900000   26.10016 5.682085   25.07998   5.218918 1.020189 7.715128 
1 1 1   -9    9   20 o 25.94379 4.960521  8.455814 2.120930   6.600000 3.800000   10.80000 4.800000   22.91306 6.771136   28.97453   7.251122 -6.061472 9.921041 
1 1 1   -9    9   21 o 19.66243 4.761990  4.493421 1.898684   2.400000 3.700000   6.700000 3.900000   16.62770 6.570109   22.69715   6.894916 -6.069452 9.523980 
1 1 1   -9    9   22 o 13.32424 4.097944 -0.3788733 1.715493   1.500000 2.900000  -3.100000 4.200000   14.16453 5.741481   12.48394   5.848759 1.680597 8.195888 
1 1 1   -9    9   23 f 33.58641 3.388744  14.36056 1.771831   11.20000 3.400000   17.80000 3.700000   29.23288 5.272620   37.93994   4.258384 -8.707064 6.777489 
1 1 1   -9    9   24 o 13.95090 4.321328 0.5040000 1.848000  0.9000000 3.300000   0.000000 4.200000   13.71514 5.878125   14.18666   6.335863 -0.4715157 8.642656 
1 1 1   -9   11    1 o 37.94019 4.047215  16.90319 2.243617   17.10000 3.700000   16.60000 5.700000   38.57339 4.188453   37.30698   6.926519 1.266418 8.094431 
1 1 1   -9   11    2 o 112.4943 1.921378  144.9850 3.493572   141.3000 6.700000   149.0000 7.300000   111.0071 2.635504   113.9815   2.796586 -2.974411 3.842756 
1 1 1   -9   11    3 o 162.7614 2.116878  303.7619 5.561435   306.7000 11.70000   301.1000 10.60000   163.4980 3.124734   162.0247   2.856697 1.473251 4.233755 
1 1 1   -9   11    4 o 224.8545 2.430272  579.9237 8.839830   563.5000 17.10000   597.5000 18.30000   221.5721 3.369929   228.1369   3.502637 -6.564850 4.860544 
1 1 1   -9   11    5 o 13.52340 4.097962 -0.4626865 1.629851   1.000000 2.800000  -2.500000 3.900000   14.03559 5.658259   13.01120   5.929357 1.024392 8.195924 
1 1 1   -9   11    6 o 64.91089 1.947620  48.02592 1.955556   46.60000 3.300000   50.10000 4.800000   63.75492 2.260164   66.06686   3.172468 -2.311935 3.895240 
1 1 1   -9   11    7 o 34.13747 3.717745  13.37073 2.019512   14.10000 4.600000   12.80000 3.600000   34.93864 5.748990   33.33631   4.715466 1.602325 7.435490 
1 1 1   -9   11    8 o 36.02592 3.410542  15.11600 1.848000   22.90000 4.200000   9.000000 3.300000   44.60831 4.111244   27.44354   5.442874 17.16477 6.821085 
1 1 1   -9   11    9 o 23.51686 3.911962  6.406154 1.621538   2.400000 3.100000   10.80000 3.400000   16.45483 6.135301   30.57889   4.855085 -14.12406 7.823923 
1 1 1   -9   11   10 o 20.16055 4.723733  4.416667 1.750000   3.500000 3.000000   5.700000 4.200000   17.98742 6.104290   22.33367   7.210566 -4.346251 9.447467 
1 1 1   -9   11   11 o 45.36011 2.513170  24.15417 1.787500   27.50000 3.300000   20.20000 3.900000   48.89711 2.946934   41.82310   4.071815 7.074009 5.026340 
1 1 1   -9   11   12 o 43.46001 2.747064  21.89870 1.922078   23.10000 3.700000   20.60000 4.000000   44.73186 3.611807   42.18817   4.140083 2.543690 5.494127 
1 1 1   -9   11   13 o 17.69016 4.598724  2.842029 1.594203   1.900000 2.500000   4.500000 4.400000   14.66140 5.501174   20.71891   7.370899 -6.057504 9.197449 
1 1 1   -9   11   14 o 55.09509 2.195208  35.16667 1.948718   37.70000 3.800000   32.50000 4.000000   57.16761 2.902507   53.02257   3.294116 4.145039 4.390416 
1 1 1   -9   11   15 o 33.97449 3.806459  14.74133 1.818667   17.80000 3.100000   10.40000 4.400000   39.14349 3.458134   28.80549   6.782171 10.33801 7.612919 
1 1 1   -9   11   16 o 41.99776 2.616888  20.46056 1.746479   19.50000 3.100000   21.70000 4.000000   40.95545 3.305139   43.04008   4.058137 -2.084629 5.233777 
1 1 1   -9   11   17 o 75.14185 1.885725  65.93846 2.268132   60.40000 4.800000   70.90000 4.300000   72.03465 2.909642   78.24905   2.399546 -6.214409 3.771451 
1 1 1   -9   11   18 o 28.90805 3.863883  10.31268 1.766197   8.500000 3.300000   12.40000 3.800000   25.86569 5.722549   31.95041   5.193341 -6.084721 7.727765 
1 1 1   -9   11   19 o 45.73273 2.591534  25.69730 1.837838   20.40000 4.000000   30.20000 3.400000   40.88771 4.271760   50.57774   2.935345 -9.690029 5.183067 
1 1 1   -9   11   20 o 59.50963 2.103098  42.15185 2.022222   42.20000 3.900000   42.10000 4.200000   59.63308 2.855730   59.38618   3.088187 0.2469025 4.206197 
1 1 1   -9   11   21 o 32.45611 3.330768  13.29714 1.748571   13.40000 3.600000   13.20000 3.400000   32.49556 4.837470   32.41666   4.579841 0.7889938E-01 6.661535 
1 1 1   -9   11   22 o 18.12851 4.127950  3.727536 1.724638  -1.200000 3.400000   8.800000 3.500000   11.75508 5.423034   24.50195   6.224998 -12.74687 8.255900 
1 1 1   -9   13    1 o 74.58931 2.134198  64.24272 2.568932   64.10000 4.900000   64.40000 5.400000   74.53231 2.870723   74.64630   3.158822 -0.1139908 4.268396 
1 1 1   -9   13    2 o 28.21104 3.713008  9.833846 1.624615   5.600000 3.200000   14.20000 3.300000   21.47741 6.175915   34.94467   4.123564 -13.46726 7.426015 
1 1 1   -9   13    3 f 41.11291 3.100578  19.77654 2.017284   26.20000 4.300000   14.10000 3.800000   47.49561 3.953254   34.73021   4.777668 12.76540 6.201156 
1 1 1   -9   13    4 o 48.61362 2.340419  27.46027 1.808219   28.50000 3.300000   26.20000 4.000000   49.69359 2.899701   47.53364   3.674503 2.159950 4.680838 
1 1 1   -9   13    5 o 25.94100 4.800488  7.936585 1.902439   6.400000 3.000000   10.60000 5.200000   22.83118 5.742919   29.05083   7.693998 -6.219645 9.600976 
1 1 1   -9   13    6 o 45.78600 2.302553  24.35000 1.700000   21.80000 3.400000   26.90000 3.400000   43.35410 3.424432   48.21791   3.079004 -4.863815 4.605105 
1 1 1   -9   13    7 o 23.61924 4.863348  6.845570 1.936709   6.200000 3.400000   7.700000 4.500000   22.39505 6.341800   24.84343   7.374969 -2.448378 9.726695 
1 1 1   -9   13    8 o 37.02067 2.676107  16.02188 1.598437   16.70000 3.100000   15.30000 3.300000   37.86829 3.574586   36.17306   3.983533 1.695229 5.352214 
1 1 1   -9   13    9 o 15.02644 4.559930 -0.5142857 2.089286   1.900000 3.900000  -3.300000 4.500000   16.68138 6.694374   13.37150   6.193319 3.309879 9.119860 
1 1 1   -9   13   10 o 11.24477 3.724110 -2.347692 1.513846  -2.200000 2.400000  -2.600000 4.100000   9.497082 4.440432   12.99245   5.979846 -3.495368 7.448221 
1 1 1   -9   13   11 o 10.89505 3.603209 -2.700000 1.565079  -2.700000 2.900000  -2.700000 3.400000   10.33532 4.847831   11.45477   5.332073 -1.119450 7.206419 
1 1 1   -9   13   12 o 24.76319 4.026105  7.834375 1.598437   5.800000 3.100000   10.00000 3.300000   21.27459 6.066395   28.25179   5.294992 -6.977203 8.052210 
1 1 1   -9   13   13 o 15.96545 4.322324  1.960606 1.643939 -0.2000000 3.100000   4.400000 3.500000   12.81421 5.593828   19.11669   6.590829 -6.302479 8.644649 
1 1 1   -9   13   14 f 15.04975 4.148427 -0.2232875 1.824658   5.300000 3.600000  -5.900000 3.700000   20.03622 6.687465   10.06329   4.910766 9.972925 8.296855 
1 1 1   -9   13   15 o 32.11235 4.811252  14.24949 2.422680   15.80000 4.700000   12.60000 5.000000   34.44089 6.186234   29.78382   7.370419 4.657066 9.622503 
1 1 1   -9   13   16 o 18.62698 4.209991  3.541177 1.647059 -0.7000000 2.800000   9.600000 4.000000   11.33672 5.109186   25.91724   6.692706 -14.58053 8.419982 
1 1 1   -9   13   17 o 32.48155 3.339454  13.47164 1.665672   9.400000 3.100000   18.20000 3.600000   26.60931 5.273463   38.35379   4.098585 -11.74448 6.678908 
1 1 1   -9   13   18 o 13.22490 4.198786     -0.05 1.878947  0.8000000 3.400000  -1.100000 4.200000   13.42210 5.858745   13.02770   6.016173 0.3943958 8.397573 
1 1 1   -9   15    1 o 14.25387 4.412876 0.2600000 1.920000   1.300000 3.200000  -1.300000 4.800000   14.18044 5.917496   14.32730   6.548063 -0.1468630 8.825751 
1 1 1   -9   15    2 o 19.24687 4.940221  4.509638 2.072289   2.100000 4.000000   7.100000 4.300000   16.09348 6.657401   22.40027   7.300831 -6.306797 9.880442 
1 1 1   -9   15    3 o 13.58406 4.118270 0.2575758 1.625758  -1.500000 2.900000   2.500000 3.700000   10.96816 5.041124   16.19995   6.513652 -5.231791 8.236541 
1 1 1   -9   15    4 o 14.44829 4.126482  1.146970 1.625758   3.300000 2.900000  -1.600000 3.700000   16.49382 5.970144   12.40275   5.698141 4.091074 8.252965 
1 1 1   -9   15    5 o 10.90876 3.677753 -3.619445 1.798611  -2.900000 3.700000  -4.300000 3.500000   11.49123 5.416780   10.32628   4.976140 1.164949 7.355506 
1 1 1   -9   15    6 o 14.37771 4.489747 0.3414634 2.048780  0.7000000 4.200000   0.000000 4.000000   14.79951 6.484406   13.95591   6.211584 0.8435974 8.979493 
1 1 1   -9   15    7 o 14.35902 4.492815 0.4144578 1.966265  0.8000000 3.200000 -0.2000000 5.100000   13.49592 5.786386   15.22212   6.874540 -1.726197 8.985631 
1 1 1   -9   15    8 o 15.36772 4.621929  1.509876 2.024691  0.7000000 4.100000   2.300000 4.000000   14.67818 6.419611   16.05725   6.651126 -1.379066 9.243857 
1 1 1   -9   15    9 o 18.85899 4.726198  4.417500 1.988750   7.100000 3.700000   1.300000 4.300000   22.28242 6.703944   15.43556   6.663702 6.846860 9.452396 
1 1 1   -9   15   10 o 14.31467 4.317558  1.080822 1.783562   2.100000 3.100000 -0.3000000 4.200000   14.74282 5.950048   13.88653   6.257967 0.8562927 8.635117 
1 1 1   -9   15   11 o 11.32440 3.764300 -2.567105 1.740790 -0.4000000 2.700000  -6.500000 4.900000   11.22415 5.041522   11.42464   5.591321 -0.2004890 7.528599 
1 1 1   -8    0    1 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -8    0    2 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -8    0    3 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -8    0    4 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -8    0    5 o 649.6902 7.267440  4837.500 108.1000   4837.500 108.1000   4837.500 108.1000   649.6902 7.267440   649.6902   7.267440 0.000000 0.000000 
1 1 1   -8    0    6 o 384.6221 4.849410  1695.100 42.70000   1695.100 42.70000   1695.100 42.70000   384.6221 4.849410   384.6221   4.849410 -0.000000 0.000000 
1 1 1   -8    0    7 o 449.1282 5.640942  2311.800 58.00000   2311.800 58.00000   2311.800 58.00000   449.1282 5.640942   449.1282   5.640942 0.000000 0.000000 
1 1 1   -8    0    8 o 204.5273 2.797969  479.3000 13.10000   479.3000 13.10000   479.3000 13.10000   204.5273 2.797969   204.5273   2.797969 0.000000 0.000000 
1 1 1   -8    0    9 o 355.8894 4.590490  1451.500 37.40000   1451.500 37.40000   1451.500 37.40000   355.8894 4.590490   355.8894   4.590490 -0.000000 0.000000 
1 1 1   -8    0   10 o 47.66463 1.561166  26.10000 1.700000   26.10000 1.700000   26.10000 1.700000   47.66463 1.561166   47.66463   1.561166 0.000000 0.000000 
1 1 1   -8    0   11 o 135.3301 2.195391  209.9000 6.800000   209.9000 6.800000   209.9000 6.800000   135.3301 2.195391   135.3301   2.195391 0.000000 0.000000 
1 1 1   -8    0   12 o 231.8584 2.995555  616.0000 15.90000   616.0000 15.90000   616.0000 15.90000   231.8584 2.995555   231.8584   2.995555 -0.000000 0.000000 
1 1 1   -8    0   13 o 503.3588 5.831263  2904.400 67.20000   2904.400 67.20000   2904.400 67.20000   503.3588 5.831263   503.3588   5.831263 -0.000000 0.000000 
1 1 1   -8    0   14 o 46.79853 1.872927  25.20000 2.000000   25.20000 2.000000   25.20000 2.000000   46.79853 1.872927   46.79853   1.872927 -0.000000 0.000000 
1 1 1   -8    0   15 o 362.9932 4.368068  1509.900 36.30000   1509.900 36.30000   1509.900 36.30000   362.9932 4.368068   362.9932   4.368068 0.000000 0.000000 
1 1 1   -8    0   16 o 116.1946 2.332062  154.8000 6.200000   154.8000 6.200000   154.8000 6.200000   116.1946 2.332062   116.1946   2.332062 0.000000 0.000000 
1 1 1   -8    0   17 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -8    0   18 o 156.0263 2.352034  279.0000 8.400000   279.0000 8.400000   279.0000 8.400000   156.0263 2.352034   156.0263   2.352034 0.000000 0.000000 
1 1 1   -8    0   19 o 56.70527 2.787525  37.10000 3.600000   37.10000 3.600000   37.10000 3.600000   56.70527 2.787525   56.70527   2.787525 0.000000 0.000000 
1 1 1   -8    0   20 o 72.00893 4.031073  60.00000 6.600000   60.00000 6.600000   60.00000 6.600000   72.00893 4.031073   72.00893   4.031073 0.000000 0.000000 
1 1 1   -8    0   21 o 90.72208 2.410407  94.50000 5.000000   94.50000 5.000000   94.50000 5.000000   90.72208 2.410407   90.72208   2.410407 0.000000 0.000000 
1 1 1   -8    0   22 o 40.19005 2.858049  18.80000 2.600000   18.80000 2.600000   18.80000 2.600000   40.19005 2.858049   40.19005   2.858049 0.000000 0.000000 
1 1 1   -8    0   23 o 131.0457 2.501124  197.2000 7.500000   197.2000 7.500000   197.2000 7.500000   131.0457 2.501124   131.0457   2.501124 0.000000 0.000000 
1 1 1   -8    0   24 o 41.54663 3.196524  20.20000 3.000000   20.20000 3.000000   20.20000 3.000000   41.54663 3.196524   41.54663   3.196524 -0.000000 0.000000 
1 1 1   -8    0   25 o 14.60861 7.676227  3.700000 3.400000   3.700000 3.400000   3.700000 3.400000   14.60861 7.676227   14.60861   7.676227 -0.000000 0.000000 
1 1 1   -8    0   26 o 44.31709 3.293298  23.10000 3.300000   23.10000 3.300000   23.10000 3.300000   44.31709 3.293298   44.31709   3.293298 0.000000 0.000000 
1 1 1   -8    0   27 o 30.54765 5.351231  12.00000 3.400000   12.00000 3.400000   12.00000 3.400000   30.54765 5.351231   30.54765   5.351231 -0.000000 0.000000 
1 1 1   -8    0   28 o 7.007193 4.947991 -3.400000 3.200000  -3.400000 3.200000  -3.400000 3.200000   7.007193 4.947991   7.007193   4.947991 0.000000 0.000000 
1 1 1   -8    0   29 o 19.11642 8.671911  7.100000 4.100000   7.100000 4.100000   7.100000 4.100000   19.11642 8.671911   19.11642   8.671911 0.000000 0.000000 
1 1 1   -8    2    1 o 479.9239 3.998262  2637.941 31.06436   2584.400 61.00000   2693.500 63.30000   474.9650 5.607999   484.8828   5.700417 -9.917847 7.996525 
1 1 1   -8    2    2 o 512.6530 5.029989  3014.472 40.15868   2993.900 95.50000   3029.400 69.30000   511.0820 8.159292   514.2241   5.884649 -3.142059 10.05998 
1 1 1   -8    2    3 o 211.1552 1.908347  510.5943 6.524138   511.1000 13.20000   510.1000 12.90000   211.2584 2.728347   211.0521   2.668946 0.2062836 3.816694 
1 1 1   -8    2    4 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -8    2    5 o 553.7334 5.568227  3503.140 47.53142   3587.700 116.9000   3445.200 80.10000   559.2067 9.128131   548.2600   6.379486 10.94672 11.13645 
1 1 1   -8    2    6 o 154.9986 1.523957  275.1157 3.824836   269.9000 7.600000   280.4000 7.700000   153.5197 2.161669   156.4775   2.148713 -2.957825 3.047914 
1 1 1   -8    2    7 o 385.8079 3.392858  1702.498 21.14799   1771.400 44.50000   1640.100 40.30000   393.2301 4.941433   378.3856   4.650612 14.84451 6.785717 
1 1 1   -8    2    8 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -8    2    9 f 212.6374 2.120571  517.4438 7.283219   506.4000 13.90000   529.6000 15.30000   210.2592 2.886686   215.0156   3.107143 -4.756409 4.241143 
1 1 1   -8    2   10 o 385.5797 3.311392  1704.200 20.67424   1695.900 41.60000   1712.400 41.10000   384.6430 4.722535   386.5164   4.643159 -1.873383 6.622783 
1 1 1   -8    2   11 o 229.3432 2.241409  602.3531 8.321321   586.2000 16.30000   619.2000 17.00000   226.2041 3.146493   232.4823   3.192998 -6.278183 4.482818 
1 1 1   -8    2   12 o 432.6127 3.772041  2145.055 26.41022   2177.300 54.10000   2114.300 51.60000   435.7795 5.420885   429.4460   5.246635 6.333557 7.544082 
1 1 1   -8    2   13 o 305.5103 3.426471  1074.177 16.40179   1098.500 28.80000   1042.000 38.10000   309.5984 4.061940   301.4221   5.519371 8.176300 6.852942 
1 1 1   -8    2   14 o 242.8362 2.691969  667.6660 9.483495   646.4000 14.80000   705.6000 26.40000   237.5552 2.720426   248.1172   4.646080 -10.56207 5.383937 
1 1 1   -8    2   15 o 328.5068 3.234385  1225.441 15.37724   1195.800 24.00000   1278.300 42.80000   323.0929 3.243572   333.9207   5.596805 -10.82773 6.468770 
1 1 1   -8    2   16 o 360.6184 3.468730  1502.149 18.81017   1543.800 31.10000   1438.400 47.60000   367.0733 3.699536   354.1635   5.868712 12.90976 6.937460 
1 1 1   -8    2   17 o 249.4041 2.859108  706.5703 9.996396   692.5000 15.20000   733.6000 29.20000   245.8714 2.699450   252.9368   5.040928 -7.065460 5.718215 
1 1 1   -8    2   18 o 104.9418 1.684843  127.8892 2.675676   134.7000 4.500000   117.9000 6.600000   108.4455 1.811928   101.4381   2.841075 7.007401 3.369687 
1 1 1   -8    2   19 o 241.0801 2.539669  660.9930 8.812240   647.4000 13.70000   685.5000 24.70000   237.7076 2.516618   244.4527   4.412065 -6.745102 5.079339 
1 1 1   -8    2   20 o 75.30676 1.698503  66.26125 1.938750   71.50000 3.300000   58.80000 4.700000   78.99974 1.824013   71.61378   2.865768 7.385963 3.397006 
1 1 1   -8    2   21 o 23.20382 4.012333  6.564062 1.523438   8.400000 2.500000   3.700000 3.900000   27.03219 4.038299   19.37544   6.934508 7.656750 8.024666 
1 1 1   -8    2   22 o 96.55499 1.515839  106.3021 2.281915   102.9000 3.900000   111.1000 5.500000   94.73209 1.797659   98.37788   2.441209 -3.645790 3.031679 
1 1 1   -8    2   23 o 26.51039 3.484556  8.659649 1.424561   12.00000 2.800000   5.200000 2.900000   32.22581 3.793970   20.79496   5.845879 11.43084 6.969111 
1 1 1   -8    2   24 f 61.82356 2.168845  44.66588 2.089412   47.80000 3.700000   40.60000 4.800000   64.43024 2.507562   59.21688   3.539447 5.213356 4.337690 
1 1 1   -8    2   25 o 64.83327 1.991104  49.49630 1.972839   53.40000 3.400000   44.10000 4.700000   68.07022 2.181029   61.59631   3.331830 6.473907 3.982208 
1 1 1   -8    2   26 o 49.74495 2.911582  29.87640 2.076405   31.10000 3.300000   27.80000 5.600000   51.64969 2.789882   47.84021   5.111339 3.809479 5.823163 
1 1 1   -8    2   27 f 39.92329 3.524377  19.62069 1.965517   19.00000 3.000000   20.80000 5.700000   39.96012 3.278190   39.88645   6.240065 0.7367325E-01 7.048755 
1 1 1   -8    2   28 o 21.05964 4.927427  5.192683 1.775610   1.800000 2.600000   12.50000 5.600000   13.83683 5.494792   28.28246   8.180795 -14.44562 9.854854 
1 1 1   -8    2   29 o 30.89769 3.982341  13.03077 1.929487   9.800000 3.500000   17.00000 4.300000   26.17676 5.970581   35.61861   5.271463 -9.441851 7.964682 
1 1 1   -8    4    1 o 533.6215 4.435057  3264.121 38.31911   3190.100 75.70000   3340.000 77.60000   527.4966 6.266368   539.7463   6.277861 -12.24976 8.870113 
1 1 1   -8    4    2 o 253.5382 2.259252  736.3339 9.274394   732.1000 18.70000   740.5000 18.40000   252.8143 3.229831   254.2622   3.159917 -1.447937 4.518505 
1 1 1   -8    4    3 o 67.22273 0.9646328  51.75000 1.050000   51.00000 2.100000   52.50000 2.100000   66.73556 1.374047   67.70990   1.354275 -0.9743423 1.929266 
1 1 1   -8    4    4 o 123.3333 1.339592  174.1935 2.674767   168.2000 5.300000   180.3000 5.400000   121.1915 1.909605   125.4752   1.879212 -4.283691 2.679184 
1 1 1   -8    4    5 o 354.7322 3.072640  1441.843 17.64773   1436.900 34.90000   1446.900 35.70000   354.1195 4.303436   355.3448   4.386902 -1.225342 6.145280 
1 1 1   -8    4    6 o 106.0459 1.355396  128.8645 2.322581   126.8000 4.800000   130.8000 4.500000   105.2218 1.991934   106.8700   1.838638 -1.648170 2.710792 
1 1 1   -8    4    7 o 384.2369 3.359081  1692.381 20.89988   1705.200 41.70000   1679.500 41.90000   385.6982 4.720936   382.7757   4.779797 2.922546 6.718162 
1 1 1   -8    4    8 o 199.3794 1.974228  453.5635 6.331765   429.2000 11.70000   482.3000 13.80000   193.5710 2.639278   205.1877   2.936753 -11.61671 3.948456 
1 1 1   -8    4    9 o 89.25675 1.158820  91.21642 1.674627   89.00000 3.300000   93.50000 3.400000   88.15619 1.634560   90.35732   1.643067 -2.201126 2.317640 
1 1 1   -8    4   10 o 458.9789 3.977776  2416.350 29.54154   2377.300 60.10000   2454.100 58.10000   455.3150 5.763711   462.6429   5.483652 -7.327972 7.955552 
1 1 1   -8    4   11 o 104.7621 1.519751  125.6584 2.415842   125.5000 4.000000   125.9000 6.100000   104.6834 1.668484   104.8408   2.540617 -0.1574478 3.039502 
1 1 1   -8    4   12 o 232.8888 2.247404  621.3201 8.474926   628.1000 16.90000   614.5000 17.00000   234.1640 3.151419   231.6136   3.204974 2.550446 4.494809 
1 1 1   -8    4   13 o 415.2693 3.475969  1976.181 23.37476   1970.200 46.60000   1982.200 46.90000   414.6395 4.907439   415.8992   4.924073 -1.259735 6.951939 
1 1 1   -8    4   14 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -8    4   15 o 279.5861 2.589718  895.6407 11.72495   900.0000 23.50000   891.3000 23.40000   280.2650 3.661328   278.9070   3.663499 1.358002 5.179435 
1 1 1   -8    4   16 o 187.2152 2.658909  401.5000 11.40000   401.5000 11.40000          ?        ?   187.2152 2.658909          ?          ?       ?       ? 
1 1 1   -8    4   17 o 214.0039 2.179343  524.0172 7.523179   509.3000 14.20000   540.6000 16.00000   210.8209 2.941131   217.1870   3.216814 -6.366089 4.358686 
1 1 1   -8    4   18 o 116.4045 1.697708  155.1672 3.196875   157.9000 6.600000   152.6000 6.200000   117.3967 2.454867   115.4124   2.345735 1.984276 3.395415 
1 1 1   -8    4   19 o 96.43071 1.603459  105.3667 2.363636   100.6000 3.900000   112.7000 6.000000   93.70711 1.817322   99.15430   2.642283 -5.447197 3.206918 
1 1 1   -8    4   20 o 51.23880 2.608203  28.95517 2.048276   24.10000 3.300000   36.90000 5.400000   45.82422 3.144550   56.65339   4.162053 -10.82917 5.216405 
1 1 1   -8    4   21 o 61.06193 2.362756  44.02069 1.965517   46.40000 3.000000   39.50000 5.700000   63.60258 2.059616   58.52127   4.253053 5.081303 4.725513 
1 1 1   -8    4   22 o 75.09293 1.983952  60.59263 2.014737   52.90000 2.900000   78.10000 6.600000   67.89902 1.864980   82.28683   3.502300 -14.38782 3.967903 
1 1 1   -8    4   23 o 60.62936 1.995157  42.22051 1.917949   41.00000 3.400000   43.80000 4.400000   59.67520 2.487853   61.58353   3.119808 -1.908329 3.990315 
1 1 1   -8    4   24 o 57.64791 2.425863  38.60116 1.922093   38.50000 2.900000   38.80000 5.700000   57.80008 2.190833   57.49574   4.328913 0.3043327 4.851725 
1 1 1   -8    4   25 o 20.61657 4.798948  4.494805 1.753247   1.900000 2.700000   9.300000 5.000000   14.69320 5.667986   26.53993   7.745549 -11.84674 9.597896 
1 1 1   -8    4   26 o 40.16787 3.745102  21.64146 1.902439   25.30000 3.000000   15.30000 5.200000   46.47944 2.818383   33.85629   6.939731 12.62315 7.490204 
1 1 1   -8    4   27 o 41.09856 3.591732  22.45926 1.765432   24.00000 2.600000   19.20000 5.500000   45.14077 2.515035   37.05634   6.728799 8.084427 7.183463 
1 1 1   -8    4   28 o 25.67940 3.976604  8.607693 1.538462   6.300000 2.500000   12.30000 4.000000   21.65528 5.121380   29.70351   6.084816 -8.048227 7.953208 
1 1 1   -8    6    1 o 223.8112 2.076502  573.7641 7.524252   555.3000 14.90000   592.6000 15.20000   220.1735 2.955024   227.4490   2.918094 -7.275543 4.153003 
1 1 1   -8    6    2 o 268.6019 2.356658  826.3683 10.24780   797.3000 20.20000   856.3000 20.80000   263.8082 3.343512   273.3957   3.322090 -9.587524 4.713316 
1 1 1   -8    6    3 o 176.3417 1.786121  355.7426 5.087745   366.6000 10.70000   345.9000 9.700000   178.9021 2.611608   173.7813   2.437297 5.120850 3.572242 
1 1 1   -8    6    4 o 105.0557 1.412203  126.4208 2.395833   126.9000 4.600000   125.9000 5.000000   105.2643 1.908167   104.8471   2.082347 0.4171677 2.824407 
1 1 1   -8    6    5 o 198.4161 2.054528  450.3738 6.581439   438.3000 12.50000   463.8000 13.90000   195.6139 2.790294   201.2183   3.016387 -5.604370 4.109055 
1 1 1   -8    6    6 o 279.4877 3.168316  893.4229 13.48774   903.9000 33.90000   886.5000 22.40000   280.8022 5.271558   278.1732   3.516190 2.628937 6.336633 
1 1 1   -8    6    7 o 464.9491 4.005171  2479.629 30.14171   2471.700 61.30000   2487.300 59.30000   464.2037 5.766224   465.6945   5.560237 -1.490723 8.010343 
1 1 1   -8    6    8 o 332.7594 3.002470  1268.779 16.16631   1269.700 33.10000   1267.900 31.60000   332.8721 4.342004   332.6467   4.148046 0.2254333 6.004939 
1 1 1   -8    6    9 o 308.7563 2.850325  1092.450 14.25000   1109.700 28.50000   1075.200 28.50000   311.1959 3.998994   306.3168   4.062691 4.879120 5.700650 
1 1 1   -8    6   10 o 239.3971 2.341354  655.4207 9.044628   677.9000 19.20000   635.4000 17.10000   243.2682 3.446319   235.5260   3.170275 7.742233 4.682709 
1 1 1   -8    6   11 f 426.9957 3.713078  2089.725 25.67205   2064.300 50.80000   2115.700 51.90000   424.3723 5.227047   429.6190   5.275013 -5.246796 7.426156 
1 1 1   -8    6   12 o 99.09386 1.526533  112.3327 2.445918   108.4000 4.700000   116.6000 5.100000   97.28798 2.109494   100.8997   2.207089 -3.611748 3.053066 
1 1 1   -8    6   13 o 185.2210 2.000983  392.9925 5.996250   392.7000 11.70000   393.3000 12.30000   185.1523 2.759285   185.2898   2.898633 -0.1375732 4.001966 
1 1 1   -8    6   14 f 185.0731 1.935084  391.9353 5.789224   405.6000 12.10000   379.4000 11.10000   188.1601 2.808002   181.9860   2.663329 6.174149 3.870168 
1 1 1   -8    6   15 o 89.07693 1.402593  90.38889 2.009876   83.40000 3.700000   98.70000 4.400000   85.32956 1.893398   92.82430   2.069811 -7.494743 2.805187 
1 1 1   -8    6   16 o 111.5512 1.745381  142.6667 3.149206   138.4000 6.400000   146.8000 6.200000   109.9062 2.542714   113.1963   2.391659 -3.290108 3.490763 
1 1 1   -8    6   17 o 49.08524 2.550689  28.14304 1.949367   31.20000 3.500000   24.30000 4.400000   52.16485 2.929744   46.00563   4.176201 6.159222 5.101378 
1 1 1   -8    6   18 o 142.4210 1.886343  232.6103 4.349425   231.7000 8.800000   233.5000 8.600000   142.1427 2.703323   142.6993   2.631579 -0.5566254 3.772686 
1 1 1   -8    6   19 o 270.0066 2.590244  838.2406 11.32362   839.1000 22.90000   837.4000 22.40000   270.1317 3.701686   269.8815   3.624220 0.2502441 5.180488 
1 1 1   -8    6   20 f 144.6612 2.038460  240.5827 4.773822   241.7000 9.700000   239.5000 9.400000   144.9840 2.921402   144.3384   2.843712 0.6456299 4.076921 
1 1 1   -8    6   21 o 52.67443 1.925158  32.01077 1.621538   39.70000 3.400000   25.00000 3.100000   58.75550 2.526796   46.59337   2.905208 12.16212 3.850316 
1 1 1   -8    6   22 o 46.66668 2.546659  25.04545 1.909091   29.90000 4.200000   21.00000 3.500000   50.77658 3.611815   42.55677   3.591195 8.219807 5.093318 
1 1 1   -8    6   23 o 43.81430 2.474967  22.60290 1.707246   24.40000 3.100000   20.40000 3.800000   45.88143 2.950288   41.74716   3.974627 4.134270 4.949935 
1 1 1   -8    6   24 o 29.45235 3.338414  10.46667 1.393333   10.10000 2.200000   11.10000 3.800000   29.33425 3.274820   29.57046   5.818555 -0.2362041 6.676827 
1 1 1   -8    6   25 o 20.02778 5.088953  4.942857 1.928571   3.800000 3.000000   7.000000 5.400000   17.51335 6.098279   22.54222   8.148668 -5.028872 10.17791 
1 1 1   -8    6   26 o 30.50597 3.661489  12.35882 1.694118   6.900000 3.200000   18.50000 3.600000   22.27405 6.095826   38.73788   4.057946 -16.46383 7.322979 
1 1 1   -8    6   27 o 23.82193 4.822065  8.400000 1.832143   8.400000 2.700000   8.400000 5.700000   25.17685 4.858771   22.46701   8.330761 2.709839 9.644130 
1 1 1   -8    8    1 o 156.3007 1.570883  279.3830 3.962264   288.1000 8.400000   271.6000 7.500000   158.6039 2.312625   153.9975   2.126608 4.606384 3.141766 
1 1 1   -8    8    2 o 245.9029 2.837943  691.0652 10.79125   702.8000 26.30000   682.9000 18.30000   247.6441 4.637323   244.1616   3.272754 3.482513 5.675887 
1 1 1   -8    8    3 o 143.2721 1.659585  234.7734 3.839611   242.4000 8.100000   227.9000 7.300000   145.4802 2.431201   141.0640   2.259677 4.416199 3.319169 
1 1 1   -8    8    4 o 303.8491 2.723372  1057.755 13.39981   1059.100 26.70000   1056.400 26.90000   304.0437 3.834555   303.6545   3.868230 0.3892212 5.446743 
1 1 1   -8    8    5 o 218.8987 2.024016  548.7136 7.172822   538.2000 14.10000   559.6000 14.60000   216.7654 2.840330   221.0319   2.884282 -4.266434 4.048031 
1 1 1   -8    8    6 o 289.1743 2.578588  958.0464 12.07495   956.3000 24.10000   959.8000 24.20000   288.9104 3.642450   289.4382   3.650894 -0.5278320 5.157176 
1 1 1   -8    8    7 o 172.3555 1.892482  340.5190 5.269194   333.7000 10.90000   346.9000 10.20000   170.6816 2.788557   174.0294   2.559276 -3.347870 3.784963 
1 1 1   -8    8    8 o 249.3692 2.333694  711.7130 9.410080   736.2000 19.60000   689.1000 18.10000   253.4874 3.376287   245.2510   3.222608 8.236374 4.667388 
1 1 1   -8    8    9 o 127.6892 1.549913  186.8227 3.192969   185.2000 6.700000   188.3000 6.100000   127.1576 2.300765   128.2208   2.077356 -1.063240 3.099827 
1 1 1   -8    8   10 o 264.4680 2.515930  801.5439 10.77494   798.9000 21.50000   804.2000 21.60000   264.0309 3.555686   264.9050   3.560437 -0.8740540 5.031860 
1 1 1   -8    8   11 o 295.7341 2.804813  1001.290 13.37430   1029.100 28.50000   976.7000 25.20000   299.5795 4.154057   291.8886   3.769842 7.690948 5.609626 
1 1 1   -8    8   12 o 163.9451 1.912634  307.9862 5.068965   308.4000 10.50000   307.6000 9.800000   164.0475 2.794856   163.8428   2.611791 0.2046661 3.825268 
1 1 1   -8    8   13 o 33.34293 2.896071  12.75645 1.524194   12.70000 3.500000   12.80000 2.700000   33.27092 4.593493   33.41495   3.528277 -0.1440315 5.792142 
1 1 1   -8    8   14 o 150.5961 1.774928  259.7965 4.313295   257.0000 8.200000   262.9000 9.100000   149.7483 2.391066   151.4440   2.623790 -1.695663 3.549855 
1 1 1   -8    8   15 o 128.6824 1.764050  189.8735 3.674830   193.3000 7.300000   186.4000 7.400000   129.8541 2.454748   127.5107   2.534106 2.343414 3.528099 
1 1 1   -8    8   16 o 155.7271 1.923630  278.2804 4.849484   281.2000 9.600000   275.3000 9.800000   156.5575 2.677547   154.8968   2.762635 1.660736 3.847260 
1 1 1   -8    8   17 o 89.02342 1.889440  90.75321 2.713762   85.70000 5.100000   96.50000 5.800000   86.39183 2.577729   91.65502   2.763195 -5.263191 3.778879 
1 1 1   -8    8   18 f 46.60068 2.056323  24.96774 1.548387   22.50000 3.000000   27.60000 3.200000   44.21844 2.962495   48.98291   2.852628 -4.764477 4.112646 
1 1 1   -8    8   19 o 25.23231 4.236246  7.826087 1.724638   9.600000 3.400000   6.000000 3.500000   28.17886 5.465824   22.28577   6.473630 5.893093 8.472492 
1 1 1   -8    8   20 o 70.76859 1.853886  57.70470 2.122353   60.50000 4.400000   55.10000 4.100000   72.41619 2.653119   69.12099   2.590083 3.295204 3.707771 
1 1 1   -8    8   21 o 43.20673 2.804082  21.95128 1.948718   19.90000 4.000000   23.90000 3.800000   41.16085 4.243413   45.25262   3.666735 -4.091763 5.608164 
1 1 1   -8    8   22 o 31.68215 4.040641  12.89487 1.917949   14.90000 3.400000   10.30000 4.400000   35.36717 4.197767   27.99713   6.905496 7.370039 8.081283 
1 1 1   -8    8   23 o 24.80076 4.376163  8.000000 1.777778   11.50000 4.000000   5.200000 3.200000   29.62114 6.099707   19.98038   6.276687 9.640753 8.752327 
1 1 1   -8    8   24 o 26.64639 4.201262  9.397183 1.715493   7.600000 2.900000   12.00000 4.200000   23.87414 5.427041   29.41864   6.414798 -5.544500 8.402523 
1 1 1   -8    8   25 o 18.49382 4.816890  4.597368 1.898684   4.500000 3.700000   4.700000 3.900000   18.33202 6.726953   18.65561   6.896218 -0.3235989 9.633780 
1 1 1   -8   10    1 o 205.0262 2.191617  481.6454 7.268041   486.8000 15.00000   476.8000 14.10000   206.0851 3.178223   203.9672   3.018551 2.117905 4.383235 
1 1 1   -8   10    2 o 153.9412 1.965315  271.3515 4.895408   281.4000 10.10000   261.9000 9.500000   156.7032 2.814383   151.1792   2.743920 5.524048 3.930629 
1 1 1   -8   10    3 o 75.44547 1.952394  65.43895 2.372632   69.70000 4.600000   60.90000 4.900000   77.99382 2.575356   72.89712   2.935117 5.096703 3.904788 
1 1 1   -8   10    4 o 70.25160 2.115654  56.61354 2.398958   63.30000 4.900000   50.20000 4.700000   74.32158 2.878862   66.18163   3.100988 8.139954 4.231309 
1 1 1   -8   10    5 o 22.57829 5.254075  5.597753 2.224719   5.400000 4.400000   5.800000 4.500000   22.26476 7.391504   22.89182   7.469060 -0.6270638 10.50815 
1 1 1   -8   10    6 o 47.74887 2.781406  26.15000 2.150000   26.90000 4.300000   25.40000 4.300000   48.43474 3.876602   47.06301   3.989592 1.371727 5.562813 
1 1 1   -8   10    7 o 68.00087 2.097289  53.15000 2.300000   47.60000 4.600000   58.70000 4.600000   64.43703 3.117181   71.56471   2.806717 -7.127686 4.194577 
1 1 1   -8   10    8 o 95.23301 1.750783  103.9268 2.699074   102.7000 5.300000   105.2000 5.500000   94.66151 2.444793   95.80451   2.506781 -1.143005 3.501566 
1 1 1   -8   10    9 o 57.26336 2.050519  37.61316 1.898684   38.10000 3.700000   37.10000 3.900000   57.64666 2.802640   56.88006   2.993948 0.7665977 4.101038 
1 1 1   -8   10   10 f 104.7160 1.710171  125.7000 2.900000   125.7000 5.800000   125.7000 5.800000   104.7160 2.418547   104.7160   2.418547 0.000000 3.420342 
1 1 1   -8   10   11 o 93.48167 1.753191  100.3245 2.649057   104.2000 5.200000   96.30000 5.400000   95.32929 2.381862   91.63404   2.573218 3.695251 3.506383 
1 1 1   -8   10   12 o 119.7235 1.806164  164.4629 3.497143   164.9000 6.800000   164.0000 7.200000   119.8943 2.476568   119.5527   2.629740 0.3415527 3.612329 
1 1 1   -8   10   13 o 53.16758 2.518893  32.48140 2.139535   41.20000 4.600000   24.90000 4.000000   59.84150 3.356565   46.49367   3.756694 13.34783 5.037786 
1 1 1   -8   10   14 o 26.01524 4.061680  7.673134 1.510448   6.300000 2.300000   10.30000 4.400000   22.94231 4.538281   29.08817   6.737432 -6.145859 8.123361 
1 1 1   -8   10   15 o 96.39286 1.728261  106.1667 2.676852   116.0000 5.900000   98.00000 4.900000   100.4350 2.565113   92.35068   2.316838 8.084366 3.456522 
1 1 1   -8   10   16 o 28.95971 3.831779  10.33768 1.724638   6.100000 3.400000   14.70000 3.500000   22.37842 6.343445   35.54099   4.300096 -13.16257 7.663558 
1 1 1   -8   10   17 o 59.68501 1.786777  41.02753 1.715942   40.10000 3.200000   42.10000 3.700000   58.98545 2.368890   60.38458   2.675564 -1.399136 3.573553 
1 1 1   -8   10   18 o 38.87122 2.429669  17.51967 1.504918   16.90000 2.700000   18.30000 3.400000   38.15933 3.089603   39.58311   3.750669 -1.423775 4.859338 
1 1 1   -8   10   19 o 40.22754 2.344954  18.50656 1.455738   16.50000 2.400000   21.60000 3.700000   37.65619 2.783009   42.79889   3.774931 -5.142696 4.689909 
1 1 1   -8   10   20 o 26.54818 3.439452  8.782456 1.424561   6.900000 2.900000   10.60000 2.800000   23.27401 5.523721   29.82235   4.099736 -6.548334 6.878904 
1 1 1   -8   10   21 f 29.92634 3.724853  11.15775 1.732394   8.200000 3.000000   15.20000 4.100000   25.07395 5.385139   34.77873   5.147660 -9.704784 7.449707 
1 1 1   -8   10   22 o 17.29185 4.834062  3.285366 2.048780   4.700000 4.000000   1.800000 4.200000   18.81153 6.978062   15.77217   6.691732 3.039359 9.668124 
1 1 1   -8   10   23 o 23.76189 4.692012  8.380000 1.872000   7.900000 3.600000   8.900000 3.900000   23.13679 6.516516   24.38700   6.752402 -1.250210 9.384025 
1 1 1   -8   12    1 o 54.82831 2.353306  34.63253 2.050602   34.30000 4.600000   34.90000 3.700000   54.55920 3.681540   55.09743   2.932312 -0.5382309 4.706612 
1 1 1   -8   12    2 o 46.24730 2.981297  25.39070 2.139535   19.40000 4.600000   30.60000 4.000000   40.93551 4.906788   51.55909   3.387618 -10.62358 5.962594 
1 1 1   -8   12    3 o 72.36617 2.240715  60.19048 2.619048   59.00000 5.000000   61.50000 5.500000   71.62788 3.048089   73.10447   3.285175 -1.476593 4.481431 
1 1 1   -8   12    4 o 54.45283 2.796399  34.23878 2.445918   40.90000 5.100000   28.10000 4.700000   59.56878 3.738446   49.33687   4.159738 10.23191 5.592799 
1 1 1   -8   12    5 o 38.83221 3.455969  17.36092 2.160919   19.90000 4.700000   15.20000 4.000000   41.43779 4.952688   36.22662   4.821385 5.211163 6.911937 
1 1 1   -8   12    6 f 39.81980 3.101340  18.33125 1.998750   17.60000 3.900000   19.10000 4.100000   39.00756 4.365716   40.63204   4.406106 -1.624477 6.202681 
1 1 1   -8   12    7 o 41.37732 2.743867  19.90833 1.794444   14.10000 3.400000   26.40000 3.800000   34.90662 4.253151   47.84802   3.467842 -12.94140 5.487734 
1 1 1   -8   12    8 o 57.85905 2.239615  38.90732 1.990244   40.40000 3.400000   36.80000 4.800000   59.27857 2.504499   56.43953   3.713621 2.839043 4.479230 
1 1 1   -8   12    9 o 17.99059 4.537649  2.660000 1.848000 -0.7000000 4.200000   5.300000 3.300000   14.88993 6.505212   21.09124   6.327974 -6.201311 9.075298 
1 1 1   -8   12   10 o 14.31561 4.485879 -1.141463 2.019512  -1.800000 3.600000 -0.3000000 4.600000   12.75451 5.766514   15.87671   6.873119 -3.122206 8.971759 
1 1 1   -8   12   11 o 42.47843 2.200268  20.91167 1.498333   25.20000 3.100000   16.90000 2.900000   46.73202 2.896589   38.22484   3.312776 8.507183 4.400535 
1 1 1   -8   12   12 o 14.49587 4.269977 0.5000000 1.700000 -0.9000000 3.400000   1.900000 3.400000   13.00990 5.761712   15.98183   6.303451 -2.971935 8.539954 
1 1 1   -8   12   13 o 23.53048 3.805227  6.728070 1.403509   5.500000 2.500000   8.300000 3.200000   21.12780 5.201609   25.93316   5.555382 -4.805359 7.610453 
1 1 1   -8   12   14 o 42.85717 2.449290  21.46765 1.698529   20.40000 3.300000   22.60000 3.500000   41.76363 3.450288   43.95071   3.477298 -2.187077 4.898580 
1 1 1   -8   12   15 o 58.07235 2.251735  39.71071 2.089286   41.80000 3.900000   37.30000 4.500000   59.86006 2.844901   56.28465   3.491100 3.575413 4.503470 
1 1 1   -8   12   16 o 19.87935 4.418999  2.862195 2.030488  -3.500000 3.700000   10.60000 4.500000   11.47403 5.411143   28.28467   6.987828 -16.81064 8.837998 
1 1 1   -8   12   17 o 30.31005 3.744447  12.72424 1.612121   16.50000 2.800000   7.600000 3.800000   37.21004 3.285773   23.41005   6.729580 13.79999 7.488895 
1 1 1   -8   12   18 o 24.93709 3.880576  8.390476 1.574603   10.90000 3.100000   5.800000 3.200000   29.45511 4.595585   20.41907   6.254286 9.036039 7.761153 
1 1 1   -8   12   19 o 17.28038 4.272955  3.279710 1.707246   6.200000 3.100000 -0.3000000 3.800000   21.14260 6.078362   13.41817   6.007170 7.724428 8.545910 
1 1 1   -8   12   20 o 19.87080 4.941321  5.787210 2.145349   8.600000 4.100000   2.700000 4.500000   23.45744 7.056922   16.28415   6.918560 7.173288 9.882643 
1 1 1   -8   14    1 o 35.72261 3.074401  15.00986 1.757746   18.80000 3.900000   11.90000 3.200000   39.80926 4.277797   31.63595   4.416811 8.173311 6.148802 
1 1 1   -8   14    2 o 40.31976 3.101859  19.88289 1.793421   21.60000 2.900000   17.10000 4.700000   43.07132 2.940015   37.56820   5.462823 5.503117 6.203718 
1 1 1   -8   14    3 o 23.83008 4.630829  7.059459 1.783784   5.600000 3.000000   9.200000 4.400000   21.07457 5.953319   26.58558   7.094808 -5.511009 9.261658 
1 1 1   -8   14    4 o 15.39281 4.275846  1.126087 1.721739   3.900000 3.300000  -1.900000 3.600000   18.35612 6.395692   12.42950   5.676845 5.926624 8.551693 
1 1 1   -8   14    5 o 19.54893 4.968718  4.238095 1.980952   5.000000 3.200000   3.000000 5.200000   20.00901 6.275226   19.08886   7.705463 0.9201469 9.937435 
1 1 1   -8   14    6 o 43.59586 2.623049  22.44595 1.848649   20.50000 3.600000   24.50000 3.800000   41.63014 3.776021   45.56159   3.641870 -3.931454 5.246099 
1 1 1   -8   14    7 o 29.33995 4.247465  10.98462 1.944872   10.70000 3.700000   11.30000 4.100000   29.04157 5.766536   29.63833   6.237860 -0.5967560 8.494929 
1 1 1   -8   14    8 o 47.30332 3.188923  27.09787 2.243617   28.20000 3.700000   25.40000 5.700000   49.02557 3.295481   45.58107   5.460470 3.444500 6.377846 
1 1 1   -8   14    9 o 21.94993 4.715408  6.310811 1.837838   5.500000 4.000000   7.000000 3.400000   20.78230 7.048647   23.11757   6.265531 -2.335278 9.430817 
1 1 1   -8   14   10 o 17.49099 4.512210  3.062162 1.844595   5.900000 3.500000 -0.1000000 3.900000   20.94692 6.561716   14.03506   6.195487 6.911863 9.024421 
1 1 1   -8   14   11 o 19.82480 4.789328  5.007692 1.948718   7.200000 3.800000   2.700000 4.000000   22.82982 6.777110   16.81978   6.769154 6.010038 9.578656 
1 1 1   -8   14   12 o 15.85757 4.607892  2.240789 1.898684   2.600000 3.900000   1.900000 3.700000   16.33833 6.645174   15.37681   6.385321 0.9615250 9.215783 
1 1 1   -8   14   13 o 13.21430 4.099280 -0.5380281 1.774648  -3.200000 3.500000   2.200000 3.600000   10.89772 5.175815   15.53087   6.358249 -4.633142 8.198561 
1 1 1   -8   14   14 o 21.65552 4.722219  6.708108 1.848649   5.200000 3.600000   8.300000 3.800000   19.32130 6.683012   23.98973   6.673436 -4.668423 9.444437 
1 1 1   -8   14   15 o 27.10460 4.603676  10.86875 1.988750   11.10000 3.700000   10.60000 4.300000   27.95956 5.960551   26.24964   7.017632 1.709921 9.207352 
1 1 1   -8   16    2 o 15.46607 4.116245  2.658065 1.535484   4.600000 2.800000  0.3000000 3.400000   17.97601 5.892967   12.95613   5.748639 5.019880 8.232491 
1 1 1   -8   16    3 o 20.36118 4.795767  5.617241 2.172414   11.10000 4.500000  0.5000000 4.200000   26.57698 7.210269   14.14538   6.325308 12.43160 9.591534 
1 1 1   -7    1    1 o 440.2975 7.150373  2223.400 72.10000   2223.400 72.10000          ?        ?   440.2975 7.150373          ?          ?       ?       ? 
1 1 1   -7    1    2 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -7    1    3 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -7    1    4 o 561.3676 9.279677  0.000000 0.000000          ?        ?   3617.000 119.3000          ?        ?   561.3676   9.279677       ?       ? 
1 1 1   -7    1    5 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -7    1    6 o 173.8920 2.737075  346.3000 10.90000   346.3000 10.90000          ?        ?   173.8920 2.737075          ?          ?       ?       ? 
1 1 1   -7    1    7 o 378.8631 3.362777  1643.604 20.59200   1668.200 42.90000   1620.900 39.60000   381.5809 4.909196   376.1454   4.597049 5.435516 6.725554 
1 1 1   -7    1    8 o 353.8674 3.130182  1434.198 17.89568   1439.400 37.30000   1429.400 34.40000   354.4792 4.594707   353.2556   4.252155 1.223572 6.260364 
1 1 1   -7    1    9 o 201.5449 2.525932  459.1795 7.831804   433.1000 13.00000   498.7000 19.70000   194.4552 2.919197   208.6346   4.123060 -14.17934 5.051865 
1 1 1   -7    1   10 o 392.7517 3.962640  1757.472 22.23803   1729.400 34.40000   1808.800 62.90000   388.4930 3.866473   397.0105   6.918124 -8.517548 7.925280 
1 1 1   -7    1   11 o 484.2079 4.843624  2711.377 33.76154   2765.600 53.20000   2617.200 92.40000   491.1779 4.729471   477.2380   8.454281 13.93991 9.687247 
1 1 1   -7    1   12 o 179.5908 2.134346  365.5631 5.531120   355.5000 8.600000   383.7000 15.50000   176.1819 2.131458   182.9997   3.698462 -6.817749 4.268692 
1 1 1   -7    1   13 o 229.9686 4.063356  0.000000 0.000000          ?        ?   606.0000 21.40000          ?        ?   229.9686   4.063356       ?       ? 
1 1 1   -7    1   14 o 445.7476 4.423429  2250.881 27.62675   2189.700 41.90000   2369.300 81.10000   437.1498 4.185270   454.3452   7.794255 -17.19540 8.846858 
1 1 1   -7    1   15 o 157.0705 2.081660  281.2657 5.112381   274.1000 8.800000   291.2000 12.20000   154.7011 2.483871   159.4400   3.341199 -4.738892 4.163319 
1 1 1   -7    1   16 o 221.0774 2.390133  553.7126 7.675675   537.1000 12.00000   583.2000 21.30000   216.5516 2.419689   225.6032   4.122627 -9.051636 4.780267 
1 1 1   -7    1   17 o 443.5147 4.527694  2245.662 31.01370   2192.100 52.30000   2323.700 76.20000   437.2149 5.223317   449.8145   7.397096 -12.59958 9.055388 
1 1 1   -7    1   18 o 268.9991 2.933240  832.3708 12.32837   847.6000 21.50000   811.9000 28.90000   271.9468 3.452186   266.0515   4.743205 5.895355 5.866479 
1 1 1   -7    1   19 o 311.3107 3.492385  1120.396 16.79551   1159.600 28.90000   1066.000 40.10000   317.9885 3.968498   304.6329   5.747873 13.35556 6.984771 
1 1 1   -7    1   20 o 355.3993 3.833027  1442.639 20.83954   1401.000 34.60000   1505.700 52.40000   349.2861 4.325482   361.5124   6.329185 -12.22632 7.666054 
1 1 1   -7    1   21 o 128.7510 1.785691  189.8689 3.645270   188.2000 6.500000   192.0000 8.300000   128.1294 2.215156   129.3727   2.801401 -1.243240 3.571381 
1 1 1   -7    1   22 o 165.3859 2.197772  314.0753 5.237885   313.1000 8.200000   315.8000 14.50000   165.1990 2.167436   165.5728   3.824007 -0.3738708 4.395544 
1 1 1   -7    1   23 o 43.01075 3.039217  20.65000 1.928571   18.40000 3.000000   24.70000 5.400000   39.95226 3.278836   46.06924   5.118261 -6.116982 6.078434 
1 1 1   -7    1   24 o 85.61328 1.682046  84.20000 2.153846   83.70000 3.500000   85.00000 5.600000   85.37569 1.790085   85.85088   2.848282 -0.4751968 3.364092 
1 1 1   -7    1   25 o 54.33898 2.148351  35.36760 1.673239   38.60000 2.700000   30.10000 4.400000   57.89771 2.036302   50.78025   3.783533 7.117458 4.296702 
1 1 1   -7    1   26 o 14.53406 4.507856 -0.1567901 1.987654 -0.2000000 3.500000 -0.1000000 4.600000   13.57772 5.934999   15.49041   6.786667 -1.912682 9.015712 
1 1 1   -7    1   27 o 21.47493 4.145516  6.100000 1.493333   4.700000 2.800000   7.700000 3.200000   18.91649 5.859735   24.03337   5.865554 -5.116877 8.291032 
1 1 1   -7    1   28 o 43.41496 2.204727  22.55000 1.550000   22.70000 3.100000   22.40000 3.100000   43.56583 3.107101   43.26410   3.128771 0.3017311 4.409454 
1 1 1   -7    1   29 o 17.55535 4.954874  3.935714 1.928571   2.400000 3.000000   6.700000 5.400000   14.72737 5.885076   20.38334   7.973015 -5.655965 9.909747 
1 1 1   -7    3    1 o 389.3997 3.354290  1737.394 21.14988   1718.700 42.40000   1756.000 42.20000   387.3078 4.780236   391.4915   4.706844 -4.183746 6.708580 
1 1 1   -7    3    2 o 416.3152 3.534464  1985.975 23.82057   1980.400 48.30000   1991.400 47.00000   415.7346 5.073068   416.8957   4.922776 -1.161133 7.068928 
1 1 1   -7    3    3 f 248.9710 2.331447  709.6870 9.393351   696.4000 18.30000   723.7000 19.30000   246.5788 3.240671   251.3631   3.352706 -4.784271 4.662895 
1 1 1   -7    3    4 o 341.1029 3.023275  1332.559 16.69461   1313.900 32.80000   1351.900 34.00000   338.6732 4.228952   343.5327   4.321659 -4.859558 6.046550 
1 1 1   -7    3    5 o 763.0792 8.679067  6673.993 106.9904   7000.800 225.6000   6379.200 203.5000   780.7534 12.61726   745.4050   11.92098 35.34845 17.35813 
1 1 1   -7    3    6 o 419.6923 3.554441  2016.665 24.10435   1982.900 46.20000   2053.500 50.40000   416.0296 4.849058   423.3550   5.198351 -7.325348 7.108883 
1 1 1   -7    3    7 o 529.1505 4.495204  3210.500 38.46857   3219.000 74.80000   3201.500 79.20000   529.8917 6.163881   528.4093   6.544771 1.482361 8.990409 
1 1 1   -7    3    8 o 523.4728 4.430132  3141.858 37.51478   3188.700 77.40000   3097.800 72.80000   527.2368 6.410250   519.7088   6.116613 7.527954 8.860264 
1 1 1   -7    3    9 o 124.9981 1.534135  179.1863 3.099194   187.5000 6.100000   170.6000 6.300000   127.9503 2.081748   122.0458   2.254019 5.904572 3.068269 
1 1 1   -7    3   10 f 109.8506 1.278941  138.1967 2.274725   138.5000 4.600000   137.9000 4.500000   109.9696 1.826521   109.7315   1.790691 0.2380981 2.557881 
1 1 1   -7    3   11 o 165.0760 1.589612  311.8082 4.244706   301.1000 8.200000   323.3000 8.800000   162.1412 2.208311   168.0109   2.287099 -5.869690 3.179223 
1 1 1   -7    3   12 f 334.4370 2.968345  1281.789 16.07465   1258.200 32.00000   1305.600 32.30000   331.3439 4.217069   337.5301   4.178590 -6.186218 5.936690 
1 1 1   -7    3   13 o 601.0264 5.004170  4144.603 48.69872   4104.900 97.90000   4183.900 96.90000   598.1507 7.146803   603.9021   7.006433 -5.751404 10.00834 
1 1 1   -7    3   14 f 37.47567 1.657370  16.15000 0.9974999   15.10000 2.100000   17.10000 1.900000   36.31017 2.525403   38.64118   2.147054 -2.331009 3.314740 
1 1 1   -7    3   15 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -7    3   16 o 184.6035 2.087754  389.9574 5.801229   388.4000 9.500000   392.4000 14.90000   184.1481 2.252662   185.0589   3.515733 -0.9108124 4.175508 
1 1 1   -7    3   17 o 67.09164 1.919366  50.17805 1.874390   46.50000 2.900000   56.90000 5.300000   63.71672 1.987395   70.46655   3.284223 -6.749821 3.838732 
1 1 1   -7    3   18 o 80.85490 1.574869  74.77805 2.019512   73.90000 3.600000   75.90000 4.600000   80.31978 1.957130   81.39004   2.467893 -1.070259 3.149739 
1 1 1   -7    3   19 o 83.22443 2.009186  78.99223 2.277670   78.20000 3.400000   80.60000 6.900000   82.62203 1.796895   83.82684   3.594229 -1.204803 4.018372 
1 1 1   -7    3   20 o 147.7551 1.948066  249.8308 4.307692   248.1000 7.000000   252.6000 11.20000   147.1368 2.077383   148.3735   3.296108 -1.236694 3.896132 
1 1 1   -7    3   21 o 90.44658 1.701248  94.18469 2.384694   95.90000 4.100000   91.80000 5.700000   91.46164 1.957422   89.43153   2.783068 2.030113 3.402495 
1 1 1   -7    3   22 o 43.54301 2.517128  21.23333 1.533333   19.90000 2.300000   23.90000 4.600000   41.62616 2.412688   45.45985   4.418446 -3.833687 5.034256 
1 1 1   -7    3   23 o 16.79552 4.286575  2.043056 1.631944   4.300000 2.500000  -2.200000 4.700000   18.94591 5.461934   14.64514   6.608038 4.300774 8.573150 
1 1 1   -7    3   24 o 79.09955 2.116126  71.55096 2.322115   69.70000 3.500000   75.20000 6.900000   77.83843 1.963422   80.36067   3.749257 -2.522240 4.232252 
1 1 1   -7    3   25 o 34.12121 4.079868  16.40000 1.666667   19.90000 2.500000   9.400000 5.000000   41.42734 2.635073   26.81508   7.722543 14.61226 8.159736 
1 1 1   -7    3   26 o 15.64758 3.928159  1.612121 1.498485   4.400000 2.300000  -3.600000 4.300000   18.71688 5.186585   12.57829   5.900937 6.138588 7.856317 
1 1 1   -7    3   27 o 38.08393 2.965351  15.49733 1.594667   10.10000 2.300000   27.70000 5.200000   29.03974 3.458397   47.12812   4.817957 -18.08838 5.930701 
1 1 1   -7    3   28 f 44.32980 2.938719  25.92133 1.778667   30.60000 2.900000   18.50000 4.600000   50.94608 2.485576   37.71352   5.325992 13.23256 5.877438 
1 1 1   -7    5    1 o 81.10341 1.218635  75.19688 1.593750   77.80000 3.400000   72.90000 3.000000   82.42178 1.801261   79.78503   1.641873 2.636742 2.437271 
1 1 1   -7    5    2 o 235.0113 2.312022  631.8932 8.781817   656.2000 18.40000   609.7000 16.80000   239.3259 3.357127   230.6967   3.179857 8.629242 4.624045 
1 1 1   -7    5    3 o 180.6500 1.940843  373.9493 5.674890   385.1000 11.30000   362.7000 11.40000   183.3575 2.691036   177.9425   2.797466 5.414948 3.881686 
1 1 1   -7    5    4 f 218.0320 2.026833  544.5437 7.137413   544.4000 13.70000   544.7000 14.90000   218.0054 2.744056   218.0585   2.983685 -0.5307007E-01 4.053667 
1 1 1   -7    5    5 o 510.3091 4.205331  2987.074 34.74820   2976.700 70.00000   2997.300 69.00000   509.4216 6.000126   511.1967   5.893873 -1.775116 8.410663 
1 1 1   -7    5    6 o 137.9684 1.543951  217.8565 3.447101   226.5000 7.100000   209.7000 6.700000   140.6259 2.204615   135.3108   2.162131 5.315094 3.087902 
1 1 1   -7    5    7 o 275.2796 2.433909  867.9171 10.84424   882.7000 22.20000   853.8000 21.20000   277.5683 3.492391   272.9910   3.390996 4.577332 4.867817 
1 1 1   -7    5    8 o 342.6738 3.121714  1344.837 17.31198   1397.800 35.60000   1294.700 33.70000   349.2346 4.451153   336.1131   4.378085 13.12146 6.243428 
1 1 1   -7    5    9 o 523.2867 6.112504  3143.531 51.76482   3217.100 106.3000   3073.700 100.9000   529.2286 8.770608   517.3450   8.516294 11.88361 12.22501 
1 1 1   -7    5   10 o 423.9432 4.621879  2062.341 29.84397   2060.900 74.70000   2063.300 49.70000   423.6566 7.699214   424.2299   5.115580 -0.5733032 9.243757 
1 1 1   -7    5   11 o 205.0683 2.032848  481.7030 6.749629   494.9000 13.60000   468.7000 13.40000   207.8572 2.857023   202.2795   2.892629 5.577698 4.065695 
1 1 1   -7    5   12 o 242.3303 2.356265  671.5203 9.151219   686.5000 20.10000   659.0000 16.80000   244.7999 3.585293   239.8607   3.058368 4.939102 4.712530 
1 1 1   -7    5   13 o 222.1611 2.155196  565.3129 7.741935   564.2000 15.00000   566.5000 16.00000   221.9375 2.951210   222.3846   3.141629 -0.4470825 4.310392 
1 1 1   -7    5   14 o 332.8533 3.006263  1269.845 16.19444   1264.600 33.00000   1274.900 31.80000   332.1722 4.338008   333.5343   4.163191 -1.362030 6.012526 
1 1 1   -7    5   15 o 119.3856 1.541574  163.2588 2.964706   163.1000 6.300000   163.4000 5.600000   119.3288 2.305340   119.4424   2.047243 -0.1135635 3.083147 
1 1 1   -7    5   16 o 118.4017 2.323392  160.6000 6.300000   160.6000 6.300000          ?        ?   118.4017 2.323392          ?          ?       ?       ? 
1 1 1   -7    5   17 o 191.7052 2.101838  420.7464 6.513410   433.2000 13.60000   409.3000 12.50000   194.4205 3.054475   188.9899   2.888093 5.430649 4.203677 
1 1 1   -7    5   18 o 250.5468 2.452486  720.1500 9.950000   712.7000 19.90000   727.6000 19.90000   249.2484 3.486265   251.8452   3.450318 -2.596786 4.904971 
1 1 1   -7    5   19 o 44.42064 2.369304  22.32941 1.647059   24.80000 4.000000   20.60000 2.800000   46.46550 3.758971   42.37577   2.885228 4.089737 4.738608 
1 1 1   -7    5   20 o 35.90118 3.378511  14.95000 1.950000   17.00000 3.900000   12.90000 3.900000   38.39454 4.435422   33.40781   5.097488 4.986721 6.757023 
1 1 1   -7    5   21 o 81.97941 2.031359  77.76542 2.669159   70.70000 5.600000   84.20000 5.100000   78.36694 3.120289   85.59187   2.601820 -7.224930 4.062717 
1 1 1   -7    5   22 o 54.13934 1.996303  34.97879 1.575758   38.80000 2.600000   29.10000 4.000000   58.11853 1.953432   50.16015   3.482097 7.958385 3.992605 
1 1 1   -7    5   23 o 35.98852 3.476054  14.26341 1.902439   9.800000 3.000000   22.00000 5.200000   28.88593 4.534972   43.09111   5.269329 -14.20518 6.952108 
1 1 1   -7    5   24 o 54.47289 1.974789  34.67391 1.715942   36.90000 3.200000   32.10000 3.700000   56.45194 2.475203   52.49383   3.077749 3.958107 3.949578 
1 1 1   -7    5   25 o 48.59911 2.919136  28.13488 1.888372   28.20000 2.800000   28.00000 5.800000   49.27562 2.481222   47.92261   5.284785 1.353008 5.838272 
1 1 1   -7    5   26 o 18.62741 4.802314  3.598701 1.722078   1.100000 2.600000   8.500000 5.100000   13.06900 5.383043   24.18581   7.954352 -11.11681 9.604628 
1 1 1   -7    5   27 o 12.01816 3.913378 -1.471429 1.737143  -1.700000 3.200000  -1.200000 3.800000   11.30632 5.231803   12.73000   5.821199 -1.423674 7.826757 
1 1 1   -7    7    1 o 399.4206 3.405215  1828.293 22.02157   1815.900 43.50000   1841.000 44.60000   398.0531 4.771863   400.7882   4.859143 -2.735107 6.810430 
1 1 1   -7    7    2 o 221.9707 2.163271  564.4328 7.774276   561.0000 15.70000   567.8000 15.40000   221.3011 3.097818   222.6403   3.020345 -1.339279 4.326541 
1 1 1   -7    7    3 o 312.0909 2.832574  1114.945 14.24336   1133.600 30.40000   1098.500 26.80000   314.5345 4.220316   309.6474   3.779263 4.887146 5.665147 
1 1 1   -7    7    4 o 292.8213 3.266870  978.9614 14.80572   1003.500 36.10000   961.9000 25.10000   295.8833 5.327536   289.7593   3.782475 6.124054 6.533740 
1 1 1   -7    7    5 o 285.7100 2.604710  935.3000 12.05000   950.5000 24.10000   920.1000 24.10000   288.0331 3.653544   283.3870   3.713444 4.646118 5.209419 
1 1 1   -7    7    6 o 128.1430 1.518029  186.3810 3.099206   204.3000 7.100000   172.5000 5.500000   133.5578 2.321286   122.7281   1.956853 10.82972 3.036057 
1 1 1   -7    7    7 o 332.3177 2.982458  1265.252 16.04938   1273.000 32.30000   1257.600 31.90000   333.3282 4.231264   331.3071   4.204357 2.021118 5.964915 
1 1 1   -7    7    8 o 463.1448 3.926589  2458.753 29.44584   2488.300 59.60000   2429.900 58.20000   465.8915 5.586002   460.3982   5.519873 5.493378 7.853179 
1 1 1   -7    7    9 o 235.6527 2.213746  635.2302 8.435503   665.9000 17.60000   607.0000 16.20000   241.1062 3.187455   230.1992   3.072917 10.90697 4.427492 
1 1 1   -7    7   10 o 387.2548 3.336793  1718.859 20.92497   1711.200 41.90000   1726.500 41.80000   386.3917 4.735065   388.1178   4.702756 -1.726074 6.673586 
1 1 1   -7    7   11 o 549.3879 4.703847  3463.228 41.83829   3528.400 85.10000   3400.200 82.30000   554.4617 6.701896   544.3142   6.602219 10.14746 9.407694 
1 1 1   -7    7   12 o 197.5872 1.946541  447.0269 6.212852   452.3000 13.00000   442.2000 11.90000   198.6994 2.856843   196.4750   2.644718 2.224457 3.893082 
1 1 1   -7    7   13 o 97.70065 1.660811  109.2192 2.538462   110.2000 6.000000   108.5000 4.400000   98.07420 2.671383   97.32709   1.974052 0.7471161 3.321621 
1 1 1   -7    7   14 o 151.7982 1.699695  263.6120 4.156886   257.4000 7.800000   270.7000 8.900000   149.8911 2.272263   153.7052   2.528373 -3.814163 3.399389 
1 1 1   -7    7   15 o 77.06760 1.647654  68.07561 2.039024   67.70000 4.400000   68.40000 3.800000   76.86604 2.499527   77.26915   2.147421 -0.4031067 3.295308 
1 1 1   -7    7   16 f 153.3365 1.842062  269.2044 4.568306   258.0000 8.800000   281.3000 9.500000   150.0253 2.561284   156.6476   2.648131 -6.622269 3.684125 
1 1 1   -7    7   17 o 38.63343 2.388914  17.30678 1.471186   19.30000 2.800000   15.10000 3.100000   41.01208 2.981164   36.25478   3.733672 4.757301 4.777828 
1 1 1   -7    7   18 o 54.53613 2.162068  33.90000 1.852632   32.30000 3.200000   36.10000 4.400000   53.04398 2.634229   56.02828   3.429139 -2.984299 4.324137 
1 1 1   -7    7   19 o 125.0394 1.783570  179.3438 3.565972   176.5000 6.500000   182.8000 7.900000   123.9803 2.289288   126.0985   2.735626 -2.118279 3.567140 
1 1 1   -7    7   20 o 34.85616 2.851765  14.13750 1.598437   15.30000 3.100000   12.90000 3.300000   36.37209 3.721630   33.34022   4.322004 3.031868 5.703529 
1 1 1   -7    7   21 o 60.56367 2.186695  42.71412 2.122353   47.20000 4.100000   37.90000 4.400000   63.93757 2.800061   57.18978   3.359494 6.747787 4.373390 
1 1 1   -7    7   22 o 28.82306 3.398543  9.877419 1.535484   7.800000 2.800000   12.40000 3.400000   25.23227 5.022130   32.41385   4.580238 -7.181576 6.797086 
1 1 1   -7    7   23 o 18.52489 4.705386  3.822973 1.844595   5.100000 3.500000   2.400000 3.900000   20.17395 6.587327   16.87584   6.720845 3.298113 9.410772 
1 1 1   -7    7   24 o 14.50204 4.115489  1.752542 1.474576   1.900000 2.900000   1.600000 3.000000   14.62572 5.804702   14.37835   5.835618 0.2473755 8.230978 
1 1 1   -7    7   25 o 15.42788 4.456640 0.9909093 1.909091  -2.600000 3.500000   5.300000 4.200000   11.25383 5.293715   19.60193   7.170992 -8.348096 8.913280 
1 1 1   -7    7   26 o 18.48909 4.408103  4.338461 1.794872   6.600000 2.800000  0.3000000 5.000000   21.83311 5.579167   15.14507   6.826299 6.688033 8.816205 
1 1 1   -7    9    1 o 94.99242 1.466069  103.3600 2.240000   103.5000 4.200000   103.2000 4.800000   95.06285 1.929204   94.92198   2.208077 0.1408691 2.932137 
1 1 1   -7    9    2 o 100.5480 1.597911  115.8500 2.600000   110.9000 5.200000   120.8000 5.200000   98.39829 2.307573   102.6976   2.210969 -4.299339 3.195822 
1 1 1   -7    9    3 o 410.2204 3.511524  1928.694 23.30247   1960.400 48.10000   1898.900 45.20000   413.4764 5.079653   406.9645   4.849776 6.511902 7.023048 
1 1 1   -7    9    4 o 41.23049 2.296919  19.80667 1.493333   16.50000 3.200000   22.70000 2.800000   37.94587 3.682352   44.51511   2.746568 -6.569244 4.593838 
1 1 1   -7    9    5 o 122.0398 1.582367  170.6576 3.123200   173.0000 6.100000   168.2000 6.400000   122.8994 2.167305   121.1803   2.306151 1.719101 3.164734 
1 1 1   -7    9    6 o 233.5685 2.227958  624.8781 8.416023   631.9000 17.40000   618.3000 16.30000   234.8349 3.235388   232.3021   3.063897 2.532776 4.455917 
1 1 1   -7    9    7 f 124.1238 1.766182  176.5000 3.550000   175.3000 7.100000   177.7000 7.100000   123.7017 2.506239   124.5460   2.489249 -0.8442841 3.532364 
1 1 1   -7    9    8 f 245.5025 2.333687  690.5547 9.263612   697.8000 19.20000   683.8000 17.90000   246.7396 3.397834   244.2653   3.199860 2.474274 4.667374 
1 1 1   -7    9    9 o 176.9142 1.882774  358.7884 5.341395   360.4000 9.900000   356.9000 11.60000   177.3562 2.437410   176.4723   2.870259 0.8838501 3.765548 
1 1 1   -7    9   10 o 142.9152 1.869167  233.8740 4.317919   238.4000 9.000000   229.7000 8.300000   144.2405 2.724551   141.5899   2.559679 2.650620 3.738333 
1 1 1   -7    9   11 o 92.60905 1.785120  97.57383 2.635514   91.60000 4.700000   105.2000 6.000000   89.41153 2.295324   95.80659   2.734611 -6.395058 3.570240 
1 1 1   -7    9   12 o 42.26415 2.593697  20.47887 1.771831   21.00000 3.700000   20.00000 3.400000   42.77697 3.776865   41.75134   3.555889 1.025635 5.187394 
1 1 1   -7    9   13 o 176.2660 1.850647  356.2682 5.260664   355.9000 11.10000   356.6000 10.00000   176.1669 2.751303   176.3651   2.475865 -0.1982117 3.701294 
1 1 1   -7    9   14 o 114.6387 1.745075  151.1527 3.215504   157.3000 6.100000   144.3000 6.800000   117.1246 2.274161   112.1528   2.647515 4.971802 3.490150 
1 1 1   -7    9   15 o 35.45248 3.061613  14.50857 1.737143   14.60000 3.200000   14.40000 3.800000   35.59822 3.925196   35.30675   4.699651 0.2914696 6.123225 
1 1 1   -7    9   16 o 90.65072 1.739895  94.46667 2.546078   92.70000 5.300000   96.10000 4.900000   89.82069 2.576554   91.48075   2.338870 -1.660065 3.479790 
1 1 1   -7    9   17 o 53.21995 1.914279  32.56667 1.648485   31.50000 3.200000   33.70000 3.400000   52.32530 2.670410   54.11460   2.743495 -1.789307 3.828558 
1 1 1   -7    9   18 o 62.20331 1.943080  44.72564 1.948718   47.60000 3.800000   41.70000 4.000000   64.28477 2.581162   60.12186   2.905142 4.162910 3.886161 
1 1 1   -7    9   19 o 55.07866 1.986272  34.34789 1.715493   30.10000 2.900000   40.50000 4.200000   51.06232 2.479917   59.09499   3.103404 -8.032669 3.972544 
1 1 1   -7    9   20 f 66.47824 1.927620  51.26024 2.072289   52.40000 4.300000   50.20000 4.000000   67.16805 2.795410   65.78844   2.654912 1.379608 3.855240 
1 1 1   -7    9   21 o 20.29598 4.547750  5.097183 1.715493   3.500000 4.200000   6.200000 2.900000   18.52670 7.088731   22.06526   5.698947 -3.538561 9.095500 
1 1 1   -7    9   22 o 13.15365 4.067608 -0.1676470 1.686765  -1.800000 3.700000   1.200000 3.100000   12.32167 5.674655   13.98562   5.829239 -1.663945 8.135216 
1 1 1   -7    9   23 o 26.22723 4.194977  9.391428 1.744286   7.600000 3.300000   11.40000 3.700000   23.39216 6.097708   29.06230   5.762751 -5.670139 8.389955 
1 1 1   -7    9   24 o 25.50314 4.540683  9.037500 1.938750   15.50000 4.700000   4.500000 3.300000   32.96931 6.455859   18.03697   6.386948 14.93234 9.081367 
1 1 1   -7   11    1 o 79.95650 2.084715  73.09444 2.691667   80.80000 5.700000   66.20000 5.100000   83.93626 2.965275   75.97675   2.931090 7.959503 4.169429 
1 1 1   -7   11    2 o 128.3438 1.997058  188.9000 4.150000   192.6000 8.300000   185.2000 8.300000   129.6026 2.796430   127.0850   2.851830 2.517647 3.994115 
1 1 1   -7   11    3 o 95.83446 1.870456  105.3345 2.896552   106.3000 5.600000   104.3000 6.000000   96.29424 2.539378   95.37468   2.746995 0.9195557 3.740912 
1 1 1   -7   11    4 o 110.7404 1.547480  140.5486 2.774775   140.4000 5.500000   140.7000 5.600000   110.6822 2.169825   110.7987   2.206953 -0.1165085 3.094960 
1 1 1   -7   11    5 o 205.2601 2.215379  483.1687 7.315986   486.8000 15.70000   480.0000 13.70000   205.9558 3.328629   204.5645   2.924355 1.391342 4.430758 
1 1 1   -7   11    6 o 41.64885 3.276912  20.47059 2.075294   17.30000 4.900000   22.80000 3.600000   38.73738 5.523388   44.56032   3.527718 -5.822937 6.553824 
1 1 1   -7   11    7 o 97.22108 1.778226  108.2063 2.791964   113.0000 5.900000   103.9000 5.300000   99.25642 2.595572   95.18574   2.431329 4.070679 3.556453 
1 1 1   -7   11    8 o 54.63950 2.656955  33.97204 2.227957   32.50000 3.700000   36.20000 5.600000   53.20518 3.036599   56.07381   4.360815 -2.868622 5.313910 
1 1 1   -7   11    9 o 70.26787 1.978968  56.72444 2.248889   57.80000 4.400000   55.60000 4.600000   70.95573 2.707727   69.57999   2.886776 1.375740 3.957937 
1 1 1   -7   11   10 o 134.5535 1.939105  208.0030 4.224852   207.5000 8.500000   208.5000 8.400000   134.3886 2.761826   134.7184   2.722651 -0.3298035 3.878210 
1 1 1   -7   11   11 o 26.70932 3.887511  8.545455 1.648485   7.000000 3.400000   10.00000 3.200000   24.03783 6.150859   29.38080   4.755827 -5.342966 7.775021 
1 1 1   -7   11   12 o 65.25004 2.158270  49.09890 2.274725   53.80000 4.600000   44.50000 4.500000   68.35761 2.938398   62.14246   3.162014 6.215149 4.316540 
1 1 1   -7   11   13 o 47.59302 2.429543  25.98400 1.858667   23.40000 3.400000   29.10000 4.100000   45.01849 3.297826   50.16755   3.568623 -5.149063 4.859087 
1 1 1   -7   11   14 o 81.92209 2.038196  77.50463 2.699074   80.40000 5.300000   74.50000 5.500000   83.50579 2.771399   80.33838   2.989367 3.167412 4.076392 
1 1 1   -7   11   15 o 14.67685 4.285801 0.5323528 1.686765  -1.200000 3.100000   2.600000 3.700000   12.08989 5.418185   17.26381   6.641961 -5.173920 8.571603 
1 1 1   -7   11   16 o 17.23711 4.191339  3.326316 1.414035   3.600000 2.600000   3.000000 3.100000   17.49059 5.675928   16.98363   6.168723 0.5069675 8.382678 
1 1 1   -7   11   17 o 21.79123 4.240119  6.057143 1.542857   6.700000 2.700000   5.200000 3.600000   23.11572 5.223330   20.46674   6.680664 2.648989 8.480239 
1 1 1   -7   11   18 o 14.98171 3.966854 0.5676471 1.627941   4.300000 2.700000  -5.100000 4.100000   18.57371 5.754242   11.38971   5.461907 7.184003 7.933709 
1 1 1   -7   11   19 o 63.92552 2.087658  49.04286 2.057143   52.90000 3.600000   43.90000 4.800000   67.28206 2.336377   60.56899   3.460434 6.713070 4.175316 
1 1 1   -7   11   20 o 25.80087 3.831371  8.841935 1.535484   8.300000 2.800000   9.500000 3.400000   25.15125 5.036778   26.45049   5.774816 -1.299240 7.662743 
1 1 1   -7   11   21 o 13.18916 4.055446 -0.2738460 1.513846  -2.600000 2.400000   3.700000 4.100000   8.890572 4.240375   17.48775   6.914172 -8.597183 8.110891 
1 1 1   -7   13    1 o 34.67516 3.542696  14.12278 1.974684   12.00000 3.900000   16.30000 4.000000   31.97724 5.325536   37.37309   4.673484 -5.395844 7.085392 
1 1 1   -7   13    2 o 65.10066 1.852090  49.26364 1.909091   52.90000 3.500000   44.90000 4.200000   67.81827 2.253518   62.38305   2.939831 5.435215 3.704180 
1 1 1   -7   13    3 o 36.41683 4.003313  15.73077 2.252747   11.00000 4.100000   21.50000 5.000000   29.98707 6.175853   42.84659   5.095577 -12.85953 8.006626 
1 1 1   -7   13    4 o 12.27683 4.010896 -2.792000 1.848000  -2.000000 3.300000  -3.800000 4.200000   11.94341 5.447191   12.61026   5.888739 -0.6668539 8.021791 
1 1 1   -7   13    5 o 36.39829 2.852705  15.42239 1.674627   17.30000 3.400000   13.60000 3.300000   38.60965 3.845233   34.18694   4.214960 4.422718 5.705410 
1 1 1   -7   13    6 f 28.22309 4.095481  8.918518 1.935802   2.400000 3.200000   18.90000 4.900000   16.40052 6.208450   40.04566   5.342941 -23.64514 8.190963 
1 1 1   -7   13    7 o 44.56873 2.759044  23.17848 1.949367   22.90000 4.400000   23.40000 3.500000   44.23488 4.343377   44.90258   3.403584 -0.6676941 5.518089 
1 1 1   -7   13    8 o 17.57450 4.440896  3.253125 1.560938   3.000000 2.700000   3.600000 3.700000   16.58970 5.784845   18.55930   6.739570 -1.969597 8.881792 
1 1 1   -7   13    9 f 19.17521 4.658917  4.140000 1.737143   3.500000 3.200000   4.900000 3.800000   17.88965 6.294292   20.46078   6.870511 -2.571127 9.317834 
1 1 1   -7   13   10 o 11.04547 3.604507 -2.325807 1.509677 -0.9000000 2.600000  -4.300000 3.600000   11.15839 4.984107   10.93254   5.208509 0.2258520 7.209014 
1 1 1   -7   13   11 o 34.40757 3.051442  14.05000 1.700000   13.80000 3.400000   14.30000 3.400000   34.09030 4.354997   34.72483   4.275417 -0.6345367 6.102884 
1 1 1   -7   13   12 f 42.51842 2.360503  21.22462 1.621538   20.70000 3.100000   21.80000 3.400000   42.00526 3.222536   43.03158   3.450097 -1.026321 4.721007 
1 1 1   -7   13   13 o 19.35934 3.803324  4.459322 1.464407   7.800000 2.700000  0.5000000 3.200000   25.01644 4.888059   13.70223   5.828206 11.31421 7.606648 
1 1 1   -7   13   14 o 29.24796 4.003430  11.15000 1.850000   9.300000 3.700000   13.00000 3.700000   26.24774 6.245788   32.24817   5.009984 -6.000437 8.006860 
1 1 1   -7   13   15 o 18.69024 4.703233  3.495181 2.074699   8.100000 4.200000  -1.000000 4.100000   23.85794 7.134593   13.52253   6.130188 10.33541 9.406466 
1 1 1   -7   13   16 o 20.10200 5.065983  5.406897 2.172414   2.800000 4.200000   8.200000 4.500000   16.75355 6.864275   23.45045   7.452414 -6.696899 10.13197 
1 1 1   -7   13   17 o 15.61481 4.436471  2.508696 1.724638   3.100000 3.400000   1.900000 3.500000   16.27552 6.337477   14.95409   6.210114 1.321424 8.872943 
1 1 1   -7   15    1 o 20.30832 4.490402  5.148000 1.872000   8.700000 3.600000   1.300000 3.900000   25.36387 6.240362   15.25277   6.458539 10.11110 8.980803 
1 1 1   -7   15    2 o 16.67899 4.620933  2.394737 1.888158   0.000000 3.500000   5.200000 4.100000   13.43153 5.901359   19.92645   7.112386 -6.494922 9.241865 
1 1 1   -7   15    3 o 13.74470 4.363860 -0.5600000 1.955000 -0.9000000 3.400000 -0.1000000 4.600000   12.48117 5.627033   15.00823   6.671552 -2.527057 8.727720 
1 1 1   -7   15    4 o 16.88033 4.517025  2.856164 1.808219   4.800000 3.300000  0.5000000 4.000000   19.12090 6.402657   14.63976   6.373384 4.481133 9.034049 
1 1 1   -7   15    5 o 25.49734 4.058748  8.750000 1.900000   2.400000 3.800000   15.10000 3.800000   16.19481 6.569545   34.79986   4.768105 -18.60504 8.117496 
1 1 1   -7   15    6 o 12.88768 4.299858 -3.108889 2.178889  -5.000000 3.700000 -0.4000000 5.300000   10.35148 5.019299   15.42388   6.982961 -5.072399 8.599715 
1 1 1   -7   15    7 o 14.63563 4.584536 0.4000000 2.120930  0.4000000 3.800000  0.4000000 4.800000   13.99228 6.148372   15.27898   6.802160 -1.286707 9.169071 
1 1 1   -7   15    8 f 17.68925 4.519473  3.479167 1.787500  0.5000000 3.300000   7.000000 3.900000   13.35711 5.801892   22.02138   6.931132 -8.664267 9.038946 
1 1 1   -7   15    9 o 21.17948 5.218846  6.463636 2.195454   7.300000 4.600000   5.700000 4.200000   22.20628 7.558700   20.15268   7.198019 2.053596 10.43769 
1 1 1   -7   15   10 o 10.25420 3.622701 -9.029787 2.263830  -8.100000 3.800000  -10.40000 5.600000   9.207021 4.581326   11.30139   5.613137 -2.094365 7.245402 
1 1 1   -7   15   11 o 18.35891 5.165268  4.540217 2.116304   3.500000 3.300000   6.400000 5.900000   16.45776 6.286736   20.26005   8.197374 -3.802288 10.33054 
1 1 1   -6    0    1 o 49.67986 1.055804  28.30000 1.200000   28.30000 1.200000   28.30000 1.200000   49.67986 1.055804   49.67986   1.055804 0.000000 0.000000 
1 1 1   -6    0    2 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -6    0    3 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -6    0    4 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -6    0    5 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -6    0    6 o 48.50918 1.262144  27.00000 1.400000   27.00000 1.400000   27.00000 1.400000   48.50918 1.262144   48.50918   1.262144 0.000000 0.000000 
1 1 1   -6    0    7 o 309.3668 4.024171  1096.700 28.50000   1096.700 28.50000   1096.700 28.50000   309.3668 4.024171   309.3668   4.024171 0.000000 0.000000 
1 1 1   -6    0    8 o 585.3018 6.701383  3925.900 89.80000   3925.900 89.80000   3925.900 89.80000   585.3018 6.701383   585.3018   6.701383 0.000000 0.000000 
1 1 1   -6    0    9 o 306.2102 3.808752  1074.400 26.70000   1074.400 26.70000   1074.400 26.70000   306.2102 3.808752   306.2102   3.808752 0.000000 0.000000 
1 1 1   -6    0   10 o 657.6060 7.645071  4960.400 115.1000   4960.400 115.1000   4960.400 115.1000   657.6060 7.645071   657.6060   7.645071 0.000000 0.000000 
1 1 1   -6    0   11 f 49.62749 1.676082  28.30000 1.900000   28.30000 1.900000   28.30000 1.900000   49.62749 1.676082   49.62749   1.676082 0.000000 0.000000 
1 1 1   -6    0   12 o 226.9162 3.234315  590.1000 16.80000   590.1000 16.80000   590.1000 16.80000   226.9162 3.234315   226.9162   3.234315 0.000000 0.000000 
1 1 1   -6    0   13 o 561.5088 8.932496  3619.100 114.8000   3619.100 114.8000   3619.100 114.8000   561.5088 8.932496   561.5088   8.932496 0.000000 0.000000 
1 1 1   -6    0   14 o 408.4772 4.908241  1912.300 45.90000   1912.300 45.90000   1912.300 45.90000   408.4772 4.908241   408.4772   4.908241 0.000000 0.000000 
1 1 1   -6    0   15 o 389.0942 4.546462  1734.900 40.50000   1734.900 40.50000   1734.900 40.50000   389.0942 4.546462   389.0942   4.546462 0.000000 0.000000 
1 1 1   -6    0   16 o 59.85190 2.269043  41.20000 3.100000   41.20000 3.100000   41.20000 3.100000   59.85190 2.269043   59.85190   2.269043 0.000000 0.000000 
1 1 1   -6    0   17 f 84.54290 2.068762  82.00000 4.000000   82.00000 4.000000   82.00000 4.000000   84.54290 2.068762   84.54290   2.068762 0.000000 0.000000 
1 1 1   -6    0   18 o 202.0416 3.005594  467.9000 13.90000   467.9000 13.90000   467.9000 13.90000   202.0416 3.005594   202.0416   3.005594 0.000000 0.000000 
1 1 1   -6    0   19 o 186.6769 2.620958  399.4000 11.20000   399.4000 11.20000   399.4000 11.20000   186.6769 2.620958   186.6769   2.620958 0.000000 0.000000 
1 1 1   -6    0   20 o 344.2581 4.263289  1359.600 33.60000   1359.600 33.60000   1359.600 33.60000   344.2581 4.263289   344.2581   4.263289 0.000000 0.000000 
1 1 1   -6    0   21 o 155.0712 2.563998  275.8000 9.100000   275.8000 9.100000   275.8000 9.100000   155.0712 2.563998   155.0712   2.563998 0.000000 0.000000 
1 1 1   -6    0   22 o 21.90840 7.533646  7.200000 3.400000   7.200000 3.400000   7.200000 3.400000   21.90840 7.533646   21.90840   7.533646 0.000000 0.000000 
1 1 1   -6    0   23 o 23.79271 7.158282  8.100000 3.400000   8.100000 3.400000   8.100000 3.400000   23.79271 7.158282   23.79271   7.158282 0.000000 0.000000 
1 1 1   -6    0   24 o 15.57648 7.038729  4.100000 2.700000   4.100000 2.700000   4.100000 2.700000   15.57648 7.038729   15.57648   7.038729 0.000000 0.000000 
1 1 1   -6    0   25 o 76.89552 2.447398  68.20000 4.300000   68.20000 4.300000   68.20000 4.300000   76.89552 2.447398   76.89552   2.447398 0.000000 0.000000 
1 1 1   -6    0   26 f 56.90470 3.640701  38.10000 4.700000   38.10000 4.700000   38.10000 4.700000   56.90470 3.640701   56.90470   3.640701 0.000000 0.000000 
1 1 1   -6    0   27 f 18.03460 8.725232  6.200000 4.200000   6.200000 4.200000   6.200000 4.200000   18.03460 8.725232   18.03460   8.725232 0.000000 0.000000 
1 1 1   -6    0   28 o 55.71338 3.318733  36.80000 4.200000   36.80000 4.200000   36.80000 4.200000   55.71338 3.318733   55.71338   3.318733 0.000000 0.000000 
1 1 1   -6    2    1 o 308.5708 2.626695  1090.430 13.11924   1077.800 25.70000   1103.600 26.80000   306.7476 3.658404   310.3940   3.770172 -3.646423 5.253391 
1 1 1   -6    2    2 o 316.2475 2.738651  1145.658 14.02496   1150.100 28.00000   1141.200 28.10000   316.8621 3.858579   315.6328   3.887442 1.229309 5.477302 
1 1 1   -6    2    3 o 401.6974 3.358856  1848.193 21.84439   1801.700 43.00000   1896.200 44.40000   396.5645 4.734720   406.8302   4.765511 -10.26569 6.717712 
1 1 1   -6    2    4 o 495.8924 5.075541  2829.023 39.31587   2748.500 92.10000   2889.000 68.60000   489.6440 8.213323   502.1408   5.965383 -12.49677 10.15108 
1 1 1   -6    2    5 o 236.8557 3.115606  642.5000 16.90000   642.5000 16.90000          ?        ?   236.8557 3.115606          ?          ?       ?       ? 
1 1 1   -6    2    6 o 441.7174 3.798929  2235.204 27.16670   2173.600 53.40000   2299.000 55.30000   435.5251 5.353870   447.9098   5.391061 -12.38477 7.597859 
1 1 1   -6    2    7 o 359.7536 3.115666  1482.534 18.14986   1506.500 36.40000   1458.700 36.20000   362.6541 4.382768   356.8531   4.429543 5.801086 6.231332 
1 1 1   -6    2    8 f 255.2770 2.437259  746.4109 10.07345   749.6000 20.40000   743.3000 19.90000   255.8147 3.482125   254.7392   3.411119 1.075500 4.874518 
1 1 1   -6    2    9 o 440.1329 3.837916  2220.635 27.33455   2234.200 56.00000   2207.700 53.40000   441.4345 5.539384   438.8313   5.313533 2.603241 7.675833 
1 1 1   -6    2   10 o 568.0686 4.658500  3702.380 42.84528   3587.400 84.80000   3819.800 86.60000   559.1488 6.622290   576.9883   6.553761 -17.83954 9.317000 
1 1 1   -6    2   11 o 369.5908 3.162079  1565.581 18.92338   1573.100 38.20000   1558.200 37.50000   370.4676 4.502491   368.7139   4.441007 1.753723 6.324157 
1 1 1   -6    2   12 o 155.3537 1.965386  271.2246 4.255497   260.1000 6.400000   293.3000 12.70000   150.7036 1.854369   160.0039   3.465874 -9.300369 3.930772 
1 1 1   -6    2   13 o 256.4814 2.901323  748.3759 10.21109   737.3000 15.30000   770.6000 30.70000   253.7090 2.633270   259.2538   5.170744 -5.544785 5.802646 
1 1 1   -6    2   14 o 230.2184 2.468730  605.7933 8.319327   601.8000 13.20000   612.6000 22.50000   229.2217 2.514536   231.2150   4.249192 -1.993210 4.937461 
1 1 1   -6    2   15 o 206.7732 2.343098  482.1092 6.946229   463.2000 10.70000   517.1000 19.80000   201.1060 2.323263   212.4403   4.069752 -11.33432 4.686196 
1 1 1   -6    2   16 o 195.4529 2.227673  424.2584 6.043796   396.7000 9.000000   480.6000 18.40000   186.1104 2.111599   204.7955   3.923170 -18.68510 4.455347 
1 1 1   -6    2   17 o 121.6219 1.801571  170.1015 3.201460   172.0000 5.100000   166.9000 8.600000   122.5483 1.817199   120.6955   3.111338 1.852875 3.603143 
1 1 1   -6    2   18 o 145.5569 1.766527  244.8549 3.891975   253.0000 6.500000   232.7000 9.700000   148.6177 1.909776   142.4960   2.972411 6.121735 3.533054 
1 1 1   -6    2   19 o 194.8050 2.190223  435.2615 6.438519   436.4000 10.60000   433.5000 16.40000   195.1675 2.371581   194.4424   3.682923 0.7251434 4.380447 
1 1 1   -6    2   20 o 196.7009 2.230901  446.0415 6.631769   454.5000 11.00000   433.2000 16.70000   199.1301 2.412100   194.2716   3.753590 4.858536 4.461801 
1 1 1   -6    2   21 o 104.5038 1.774979  124.5068 2.806780   121.7000 4.600000   128.9000 7.200000   103.0387 1.949384   105.9690   2.966834 -2.930382 3.549958 
1 1 1   -6    2   22 o 91.24766 2.016902  94.68793 2.679310   91.90000 4.200000   99.60000 7.400000   89.49734 2.049174   92.99797   3.474545 -3.500626 4.033804 
1 1 1   -6    2   23 o 41.92727 3.018854  19.07952 1.915663   14.20000 3.000000   27.70000 5.300000   35.04689 3.737761   48.80764   4.741631 -13.76076 6.037708 
1 1 1   -6    2   24 o 70.94859 2.065614  57.66304 2.116304   56.30000 3.300000   60.10000 5.900000   69.95625 2.059810   71.94092   3.581094 -1.984665 4.131228 
1 1 1   -6    2   25 o 47.61668 3.003104  25.61724 1.737931   24.10000 2.400000   29.60000 6.300000   45.67274 2.294531   49.56063   5.550645 -3.887897 6.006208 
1 1 1   -6    2   26 o 39.51881 3.905316  20.35647 1.877647   22.30000 2.800000   16.40000 5.700000   43.74498 2.794921   35.29264   7.293449 8.452347 7.810633 
1 1 1   -6    2   27 o 28.30098 3.919574  10.38971 1.580882   10.50000 2.500000   10.20000 4.300000   29.54400 3.694966   27.05795   6.913715 2.486052 7.839148 
1 1 1   -6    2   28 f 18.32428 4.551801  4.500000 1.671642   4.500000 3.200000   4.500000 3.500000   18.28996 6.302253   18.35860   6.569413 -0.6864166E-01 9.103602 
1 1 1   -6    4    1 o 405.7876 3.532100  1886.231 23.17241   1877.300 44.80000   1895.800 48.00000   404.7999 4.832561   406.7753   5.152599 -1.975433 7.064200 
1 1 1   -6    4    2 o 629.5920 5.159083  4543.458 52.59315   4466.100 104.0000   4622.600 106.4000   624.1730 7.275588   635.0109   7.316446 -10.83789 10.31817 
1 1 1   -6    4    3 o 352.9298 3.241127  1426.444 18.51741   1469.600 37.80000   1385.000 36.30000   358.1598 4.608448   347.6998   4.558709 10.45999 6.482255 
1 1 1   -6    4    4 o 466.0861 4.040689  2488.479 30.47902   2428.300 59.40000   2551.900 62.60000   460.3073 5.634798   471.8650   5.792903 -11.55777 8.081378 
1 1 1   -6    4    5 f 370.9288 3.241959  1575.895 19.46572   1620.600 39.80000   1533.100 38.10000   376.0735 4.621150   365.7840   4.548204 10.28946 6.483918 
1 1 1   -6    4    6 o 273.4552 2.598417  856.3870 11.47826   848.4000 22.00000   865.1000 24.00000   272.1285 3.530112   274.7820   3.813842 -2.653473 5.196834 
1 1 1   -6    4    7 o 167.5190 1.732769  321.4500 4.700000   315.7000 9.400000   327.2000 9.400000   166.0202 2.472332   169.0178   2.428483 -2.997604 3.465538 
1 1 1   -6    4    8 o 500.2718 4.203393  2870.815 34.04816   2886.400 67.60000   2855.000 68.60000   501.6484 5.884193   498.8951   6.004192 2.753326 8.406786 
1 1 1   -6    4    9 o 157.2631 1.717991  282.8691 4.363429   274.0000 8.300000   292.7000 9.200000   154.6692 2.343225   159.8569   2.513021 -5.187729 3.435982 
1 1 1   -6    4   10 o 279.8167 2.597941  895.7242 11.75159   938.5000 24.60000   856.6000 22.50000   286.1996 3.753235   273.4337   3.593108 12.76596 5.195883 
1 1 1   -6    4   11 o 164.1096 3.671849  308.6000 13.80000   308.6000 13.80000          ?        ?   164.1096 3.671849          ?          ?       ?       ? 
1 1 1   -6    4   12 o 76.39849 1.274669  66.86508 1.574603   61.60000 3.100000   72.30000 3.200000   73.34084 1.845676   79.45614   1.758580 -6.115295 2.549338 
1 1 1   -6    4   13 o 560.7373 4.636609  3604.481 42.07624   3562.600 82.20000   3648.400 86.20000   557.4150 6.439213   564.0596   6.673014 -6.644531 9.273218 
1 1 1   -6    4   14 o 127.0618 1.658580  186.0467 3.343704   174.7000 7.400000   195.4000 6.100000   123.5025 2.616350   130.6211   2.039183 -7.118629 3.317160 
1 1 1   -6    4   15 o 300.7190 2.828908  1036.203 13.76951   1029.000 27.00000   1043.700 28.10000   299.6566 3.934410   301.7814   4.065870 -2.124817 5.657816 
1 1 1   -6    4   16 o 136.1553 1.667132  212.3510 3.673469   212.4000 7.200000   212.3000 7.500000   136.1723 2.308784   136.1383   2.405584 0.3401184E-01 3.334264 
1 1 1   -6    4   17 o 116.4903 1.750563  155.5561 3.299242   159.2000 6.500000   151.8000 6.700000   117.8783 2.407794   115.1023   2.541735 2.775940 3.501127 
1 1 1   -6    4   18 o 194.1100 2.189369  432.1782 6.872727   444.5000 13.50000   419.4000 14.00000   196.9366 2.993278   191.2835   3.195878 5.653061 4.378739 
1 1 1   -6    4   19 o 190.2551 2.102436  417.9857 6.031746   428.7000 10.00000   401.7000 15.20000   193.4086 2.257688   187.1016   3.547364 6.307037 4.204872 
1 1 1   -6    4   20 o 148.4757 2.076181  251.7364 4.591795   247.6000 7.400000   258.5000 12.10000   146.9524 2.198846   149.9990   3.522384 -3.046585 4.152362 
1 1 1   -6    4   21 o 28.41067 3.538945  9.276190 1.485714   8.400000 2.400000   10.70000 3.900000   26.99252 3.882464   29.82882   5.918024 -2.836296 7.077891 
1 1 1   -6    4   22 o 74.19390 2.015795  62.40217 1.985870   60.70000 2.900000   66.10000 6.300000   72.73608 1.740956   75.65173   3.636315 -2.915649 4.031590 
1 1 1   -6    4   23 o 45.58186 2.349279  24.51045 1.629851   26.60000 2.800000   21.60000 3.900000   48.05001 2.544510   43.11370   3.949926 4.936310 4.698558 
1 1 1   -6    4   24 o 25.65535 4.074093  8.195652 1.724638   11.30000 3.400000   5.000000 3.500000   30.90786 4.803411   20.40284   6.581808 10.50502 8.148187 
1 1 1   -6    4   25 f 71.96902 2.004219  57.89783 2.055435   51.90000 3.100000   69.70000 6.100000   67.00130 2.020311   76.93675   3.462069 -9.935448 4.008438 
1 1 1   -6    4   26 o 33.74319 3.836286  14.17750 1.848750   12.80000 2.900000   16.60000 5.100000   32.52000 3.893921   34.96638   6.611032 -2.446373 7.672572 
1 1 1   -6    4   27 o 18.32770 4.447184  3.700000 1.902439   6.700000 3.000000  -1.500000 5.200000   22.10786 5.838679   14.54754   6.709664 7.560321 8.894367 
1 1 1   -6    4   28 o 23.31684 4.885048  8.033334 1.800000   7.000000 2.700000   10.10000 5.400000   22.47224 5.327452   24.16144   8.189813 -1.689199 9.770096 
1 1 1   -6    6    1 o 183.1984 1.854220  384.2118 5.492727   377.9000 10.60000   391.0000 11.40000   181.6393 2.548214   184.7575   2.694278 -3.118256 3.708440 
1 1 1   -6    6    2 o 253.3981 2.365256  735.9304 9.697680   750.6000 19.10000   720.8000 19.70000   255.9676 3.258277   250.8285   3.429486 5.139084 4.730512 
1 1 1   -6    6    3 o 161.3387 1.722787  298.0417 4.495000   294.9000 8.700000   301.4000 9.300000   160.4605 2.367504   162.2169   2.503379 -1.756363 3.445574 
1 1 1   -6    6    4 o 185.0723 1.893609  392.3247 5.674890   386.6000 11.30000   398.1000 11.40000   183.7159 2.685786   186.4287   2.670126 -2.712769 3.787218 
1 1 1   -6    6    5 o 187.9900 1.921708  404.7957 5.849573   404.3000 11.60000   405.3000 11.80000   187.8744 2.696064   188.1056   2.739176 -0.2312469 3.843416 
1 1 1   -6    6    6 o 230.6809 2.662346  611.7320 9.727158   592.5000 21.90000   627.1000 17.50000   227.3918 4.205416   233.9700   3.266010 -6.578201 5.324692 
1 1 1   -6    6    7 o 55.35691 1.346079  35.16667 1.191667   35.90000 2.200000   34.30000 2.600000   55.98876 1.715780   54.72506   2.074564 1.263702 2.692158 
1 1 1   -6    6    8 o 241.7745 2.770829  666.6646 10.15329   655.1000 16.70000   684.6000 25.90000   239.1422 3.049299   244.4068   4.627284 -5.264694 5.541659 
1 1 1   -6    6    9 o 413.6270 3.597969  1961.094 24.09741   1995.800 48.70000   1927.100 47.70000   417.2483 5.096525   410.0056   5.080054 7.242706 7.195937 
1 1 1   -6    6   10 o 594.4215 4.929306  4051.250 47.43293   4115.700 96.70000   3989.200 93.10000   599.0504 7.048599   589.7927   6.892711 9.257690 9.858611 
1 1 1   -6    6   11 o 728.6588 7.337102  6098.515 82.76626   6072.000 141.0000   6136.200 200.4000   727.2296 8.466176   730.0881   11.98566 -2.858582 14.67420 
1 1 1   -6    6   12 o 84.04585 1.322649  80.86945 1.798611   79.80000 3.500000   82.00000 3.700000   83.47470 1.830850   84.61700   1.909343 -1.142296 2.645298 
1 1 1   -6    6   13 o 381.0334 3.363509  1663.972 20.72964   1646.100 40.20000   1683.000 42.80000   378.9336 4.632364   383.1333   4.877908 -4.199707 6.727018 
1 1 1   -6    6   14 o 198.9864 2.097134  453.1467 6.720000   462.0000 14.40000   445.4000 12.60000   200.7999 3.131401   197.1728   2.790380 3.627151 4.194269 
1 1 1   -6    6   15 o 92.97282 1.395531  99.05000 2.100000   95.40000 4.200000   102.7000 4.200000   91.25856 2.009627   94.68708   1.936860 -3.428520 2.791062 
1 1 1   -6    6   16 o 313.1969 2.825413  1125.057 14.31972   1116.700 29.20000   1133.100 28.10000   312.0448 4.086069   314.3491   3.903317 -2.304291 5.650827 
1 1 1   -6    6   17 o 176.6320 1.966841  357.7218 5.624889   362.6000 11.20000   352.8000 11.30000   177.8443 2.749905   175.4198   2.812805 2.424591 3.933682 
1 1 1   -6    6   18 o 137.9481 1.780838  218.3434 3.973585   223.2000 7.800000   213.3000 8.100000   139.5187 2.441191   136.3774   2.593477 3.141357 3.561676 
1 1 1   -6    6   19 o 45.15045 2.563657  23.80137 1.783562   25.50000 3.100000   21.50000 4.200000   47.11684 2.872931   43.18407   4.246836 3.932774 5.127314 
1 1 1   -6    6   20 o 222.1247 2.432767  568.6766 8.749714   555.9000 17.40000   581.6000 17.60000   219.6069 3.459735   224.6424   3.421060 -5.035477 4.865534 
1 1 1   -6    6   21 o 37.61076 2.546225  16.35484 1.548387   17.80000 3.200000   15.00000 3.000000   39.22323 3.562429   35.99828   3.638976 3.224953 5.092450 
1 1 1   -6    6   22 o 23.23284 4.767562  6.568355 1.974684   4.100000 3.900000   9.100000 4.000000   19.47841 6.938416   26.98728   6.540411 -7.508865 9.535124 
1 1 1   -6    6   23 o 28.96908 3.443939  10.52333 1.473333   12.30000 2.600000   8.200000 3.400000   32.42557 3.501269   25.51259   5.931609 6.912981 6.887878 
1 1 1   -6    6   24 o 36.98112 3.039893  15.86438 1.747945   13.60000 2.900000   19.30000 4.400000   33.93431 3.731631   40.02793   4.799868 -6.093616 6.079786 
1 1 1   -6    6   25 o 19.24623 5.144229  4.322727 1.909091   3.400000 2.800000   6.300000 6.000000   16.69086 5.886125   21.80161   8.438360 -5.110752 10.28846 
1 1 1   -6    6   26 o 13.75534 4.122891 0.3333333 1.612121  -2.000000 2.800000   3.500000 3.800000   10.27943 4.802925   17.23125   6.702600 -6.951813 8.245782 
1 1 1   -6    8    1 o 460.1858 4.928275  2419.623 34.48441   2477.400 87.30000   2381.900 57.00000   464.5443 8.205913   455.8273   5.460271 8.716980 9.856549 
1 1 1   -6    8    2 o 122.5343 2.224752  172.1568 4.379545   169.7000 9.400000   174.3000 8.200000   121.7116 3.372373   123.3571   2.902616 -1.645470 4.449503 
1 1 1   -6    8    3 o 80.45863 1.779077  74.28587 2.272826   75.40000 4.100000   72.90000 5.100000   81.13910 2.206446   79.77817   2.791424 1.360931 3.558153 
1 1 1   -6    8    4 o 121.4362 1.590919  168.4000 3.100800   175.2000 6.800000   162.7000 5.700000   123.6815 2.400734   119.1908   2.088198 4.490631 3.181838 
1 1 1   -6    8    5 o 334.0092 3.065354  1278.477 16.56863   1284.800 32.50000   1271.900 33.80000   334.8570 4.238027   333.1615   4.429978 1.695496 6.130708 
1 1 1   -6    8    6 o 162.6721 1.814812  303.2393 4.768586   306.9000 9.200000   299.3000 9.900000   163.6937 2.454118   161.6506   2.674223 2.043137 3.629623 
1 1 1   -6    8    7 o 273.4575 2.633425  856.9970 11.63262   861.9000 22.40000   851.7000 24.20000   274.2783 3.566123   272.6367   3.875885 1.641632 5.266850 
1 1 1   -6    8    8 o 334.2592 3.015828  1280.250 16.32037   1304.400 33.20000   1256.900 32.10000   337.3566 4.297230   331.1617   4.232574 6.194824 6.031656 
1 1 1   -6    8    9 o 357.6758 3.151504  1466.700 18.25000   1432.300 36.50000   1501.100 36.50000   353.4762 4.508919   361.8754   4.404266 -8.399200 6.303009 
1 1 1   -6    8   10 o 352.3571 3.167709  1423.421 18.07331   1436.900 36.50000   1410.200 35.80000   354.0070 4.502158   350.7071   4.457364 3.299896 6.335418 
1 1 1   -6    8   11 o 157.1730 1.964734  283.0290 4.998000   282.0000 9.800000   284.1000 10.20000   156.8833 2.727652   157.4628   2.828538 -0.5794373 3.929467 
1 1 1   -6    8   12 o 112.7666 1.642996  145.6167 2.996667   143.2000 5.800000   148.2000 6.200000   111.8006 2.265289   113.7326   2.380380 -1.932022 3.285992 
1 1 1   -6    8   13 o 60.03275 1.799156  41.17572 1.744286   38.30000 3.300000   44.40000 3.700000   57.81648 2.492310   62.24902   2.595427 -4.432545 3.598312 
1 1 1   -6    8   14 o 151.3126 1.859861  262.4692 4.536264   262.1000 9.600000   262.8000 8.600000   151.2027 2.772372   151.4225   2.479978 -0.2197876 3.719722 
1 1 1   -6    8   15 o 38.72980 2.762552  17.26812 1.724638   19.50000 3.500000   15.10000 3.400000   41.20843 3.708700   36.25119   4.095401 4.957241 5.525103 
1 1 1   -6    8   16 o 46.03078 2.495984  24.34459 1.828378   24.30000 3.300000   24.40000 4.100000   46.00118 3.132453   46.06038   3.886835 -0.5919266E-01 4.991969 
1 1 1   -6    8   17 o 71.12832 1.606035  58.02433 1.848649   55.30000 3.600000   60.90000 3.800000   69.41387 2.264623   72.84277   2.277912 -3.428894 3.212071 
1 1 1   -6    8   18 o 13.80469 3.971042 0.1711864 1.454237  -1.900000 2.600000   2.800000 3.300000   10.38317 4.772624   17.22620   6.348131 -6.843033 7.942085 
1 1 1   -6    8   19 o 114.4508 1.847813  150.6562 3.416058   156.7000 7.200000   145.2000 6.500000   116.6094 2.696116   112.2922   2.527571 4.317154 3.695627 
1 1 1   -6    8   20 o 18.52247 4.172335  3.940351 1.403509   5.400000 3.200000   2.800000 2.500000   21.00480 6.215394   16.04014   5.567977 4.964663 8.344669 
1 1 1   -6    8   21 o 61.09426 2.025014  43.35823 1.921519   43.30000 4.600000   43.40000 3.300000   60.91882 3.297206   61.26970   2.351841 -0.3508759 4.050027 
1 1 1   -6    8   22 o 24.59880 4.573368  7.833784 1.828378   8.000000 4.100000   7.700000 3.300000   24.68642 6.954825   24.51118   5.940807 0.1752415 9.146736 
1 1 1   -6    8   23 o 13.62287 4.106990 0.2550725 1.663768   2.000000 2.800000  -2.300000 4.100000   14.56320 5.727803   12.68255   5.887423 1.880646 8.213981 
1 1 1   -6    8   24 o 18.59403 4.838383  4.350000 2.000000   2.200000 4.000000   6.500000 4.000000   15.94350 6.631425   21.24456   7.047270 -5.301066 9.676766 
1 1 1   -6    8   25 o 18.44103 4.545271  4.356757 1.848649   7.900000 3.800000   1.000000 3.600000   22.90764 6.771588   13.97442   6.064944 8.933216 9.090542 
1 1 1   -6   10    1 o 158.7625 1.964293  288.8500 5.050000   286.8000 10.10000   290.9000 10.10000   158.1987 2.787778   159.3263   2.768048 -1.127640 3.928587 
1 1 1   -6   10    2 o 138.4695 1.884243  219.5077 4.217752   225.6000 8.800000   213.9000 8.100000   140.3101 2.738631   136.6288   2.588704 3.681259 3.768486 
1 1 1   -6   10    3 o 202.1687 2.230750  469.2650 7.243986   457.6000 15.50000   479.5000 13.60000   199.7905 3.387635   204.5470   2.903257 -4.756592 4.461499 
1 1 1   -6   10    4 o 67.16257 2.138140  51.70538 2.324731   51.20000 4.700000   52.20000 4.600000   66.83684 3.070589   67.48830   2.976248 -0.6514587 4.276279 
1 1 1   -6   10    5 o 163.2724 1.995043  305.4346 5.273933   310.1000 10.70000   300.9000 10.40000   164.5009 2.840242   162.0440   2.802465 2.456909 3.990086 
1 1 1   -6   10    6 o 191.7200 2.113454  421.5179 6.536260   427.1000 12.50000   415.4000 13.70000   193.0595 2.827213   190.3804   3.142230 2.679031 4.226907 
1 1 1   -6   10    7 o 123.2294 1.745643  174.0583 3.460432   173.1000 7.400000   174.9000 6.500000   122.9053 2.629063   123.5536   2.297194 -0.6483231 3.491286 
1 1 1   -6   10    8 o 81.58493 1.897203  76.25200 2.484000   75.70000 4.600000   76.90000 5.400000   81.27079 2.471514   81.89907   2.879085 -0.6282806 3.794405 
1 1 1   -6   10    9 o 148.6395 1.937521  253.5000 4.630645   256.4000 8.700000   250.2000 9.900000   149.5616 2.540030   147.7173   2.926465 1.844254 3.875042 
1 1 1   -6   10   10 o 50.79070 2.445940  30.45065 1.870130   33.90000 3.200000   25.60000 4.500000   54.37647 2.569678   47.20494   4.162601 7.171535 4.891880 
1 1 1   -6   10   11 o 137.4386 1.833582  216.6307 4.062577   217.0000 8.600000   216.3000 7.700000   137.5374 2.730343   137.3398   2.448127 0.1976166 3.667165 
1 1 1   -6   10   12 o 67.57828 1.690696  52.30811 1.844595   54.10000 3.900000   50.70000 3.500000   68.67023 2.479909   66.48632   2.298664 2.183914 3.381391 
1 1 1   -6   10   13 o 145.0829 1.894644  241.8382 4.449438   238.4000 9.000000   245.2000 8.800000   144.0545 2.728069   146.1114   2.629894 -2.056900 3.789288 
1 1 1   -6   10   14 o 109.2203 1.710265  136.9843 3.023140   134.4000 5.900000   139.7000 6.200000   108.1696 2.381697   110.2710   2.455105 -2.101410 3.420530 
1 1 1   -6   10   15 o 30.94448 3.332547  11.84918 1.521312   15.70000 2.900000   7.600000 3.200000   36.88174 3.433414   25.00723   5.712717 11.87452 6.665093 
1 1 1   -6   10   16 f 26.20894 4.419929  8.440541 1.848649   8.800000 3.800000   8.100000 3.600000   26.74568 6.306583   25.67221   6.194359 1.073469 8.839857 
1 1 1   -6   10   17 o 52.45913 2.191047  31.90000 1.828378   31.90000 4.100000   31.90000 3.300000   52.39007 3.417233   52.52819   2.743224 -0.1381149 4.382095 
1 1 1   -6   10   18 o 35.66564 2.816336  14.91692 1.621538   13.20000 3.100000   16.80000 3.400000   33.50484 4.040115   37.82644   3.924851 -4.321594 5.632671 
1 1 1   -6   10   19 o 22.51133 3.704293  5.747887 1.771831   12.50000 3.400000  -1.600000 3.700000   32.24584 4.604102   12.77682   5.804256 19.46902 7.408586 
1 1 1   -6   10   20 o 12.96702 4.163673 -1.800000 1.948718  0.1000000 3.800000  -3.800000 4.000000   14.17464 6.190333   11.75940   5.569961 2.415238 8.327346 
1 1 1   -6   10   21 o 20.28896 3.765546  3.638356 1.824658   11.90000 3.700000  -4.400000 3.600000   30.06953 5.578369   10.50840   5.059559 19.56113 7.531091 
1 1 1   -6   10   22 o 29.62482 4.175436  11.34000 1.920000   7.700000 3.200000   16.80000 4.800000   23.67789 5.917710   35.57175   5.892177 -11.89386 8.350871 
1 1 1   -6   10   23 o 35.66064 4.143709  18.09101 2.211236   21.50000 4.100000   14.10000 4.800000   40.96946 4.369817   30.35182   7.041732 10.61764 8.287417 
1 1 1   -6   12    1 o 106.1946 1.876960  129.3093 3.209302   126.1000 6.000000   133.0000 6.900000   104.7986 2.499974   107.5906   2.800364 -2.792038 3.753919 
1 1 1   -6   12    2 o 14.69064 4.527649 -0.7185186 2.022222  -1.200000 3.900000 -0.2000000 4.200000   13.96876 6.179365   15.41252   6.619206 -1.443756 9.055299 
1 1 1   -6   12    3 o 77.36359 1.876369  68.70107 2.345745   67.60000 4.500000   69.90000 4.900000   76.72466 2.561045   78.00253   2.743008 -1.277870 3.752739 
1 1 1   -6   12    4 o 90.80496 1.715948  94.23267 2.512871   105.3000 5.400000   84.60000 4.700000   95.76532 2.462211   85.84460   2.390697 9.920715 3.431897 
1 1 1   -6   12    5 o 88.63850 1.777477  90.10294 2.546078   81.60000 4.900000   99.30000 5.300000   84.28911 2.538425   92.98791   2.488795 -8.698799 3.554955 
1 1 1   -6   12    6 o 44.53857 2.979217  22.81163 2.139535   25.70000 4.600000   20.30000 4.000000   47.15747 4.259387   41.91966   4.166601 5.237804 5.958434 
1 1 1   -6   12    7 o 45.58194 2.636265  24.23684 1.852632   25.50000 3.200000   22.50000 4.400000   47.07300 2.968369   44.09087   4.357563 2.982124 5.272530 
1 1 1   -6   12    8 o 46.58141 2.457616  24.93649 1.828378   24.00000 3.300000   26.10000 4.100000   45.63597 3.157522   47.52686   3.766903 -1.890892 4.915232 
1 1 1   -6   12    9 o 65.99893 2.158523  50.23913 2.290217   50.80000 4.300000   49.60000 4.900000   66.42345 2.826746   65.57442   3.262882 0.8490219 4.317046 
1 1 1   -6   12   10 o 51.19719 2.199665  30.13425 1.816438   27.20000 3.400000   33.50000 3.900000   48.54026 3.058557   53.85411   3.162172 -5.313847 4.399329 
1 1 1   -6   12   11 o 49.13691 2.199475  27.90000 1.750000   27.50000 3.500000   28.30000 3.500000   48.78145 3.132947   49.49237   3.087945 -0.7109222 4.398950 
1 1 1   -6   12   12 o 54.43342 2.255584  34.70769 1.917949   32.00000 4.400000   36.80000 3.400000   52.42208 3.665035   56.44475   2.630238 -4.022663 4.511168 
1 1 1   -6   12   13 o 34.50794 2.956354  13.95758 1.648485   15.40000 3.400000   12.60000 3.200000   36.25422 4.095059   32.76167   4.265046 3.492546 5.912708 
1 1 1   -6   12   14 o 43.03978 2.400481  21.43731 1.656716   17.90000 3.000000   25.80000 3.700000   39.12953 3.347775   46.95002   3.441166 -7.820492 4.800961 
1 1 1   -6   12   15 o 22.24757 4.572718  6.245833 1.787500   4.000000 3.300000   8.900000 3.900000   18.38193 6.396199   26.11320   6.536638 -7.731277 9.145436 
1 1 1   -6   12   16 o 20.03773 4.586113  4.551282 1.948718   8.400000 3.800000  0.5000000 4.000000   25.15435 6.536728   14.92110   6.434354 10.23325 9.172226 
1 1 1   -6   12   17 f 15.47214 3.956076  2.281818 1.363636   4.900000 3.000000  0.1000000 2.500000   19.26257 6.080979   11.68171   5.061998 7.580863 7.912151 
1 1 1   -6   12   18 o 13.94705 4.312624 0.5000000 1.850000  0.7000000 3.700000  0.3000000 3.700000   14.12632 6.139747   13.76778   6.057923 0.3585405 8.625249 
1 1 1   -6   12   19 o 32.06334 3.225289  12.97313 1.671642   13.60000 3.500000   12.40000 3.200000   32.73160 4.669179   31.39507   4.450699 1.336527 6.450578 
1 1 1   -6   14    1 o 16.32416 4.689700  1.643038 1.959494  0.5000000 4.300000   2.600000 3.600000   15.71586 6.722059   16.93246   6.541182 -1.216593 9.379399 
1 1 1   -6   14    2 o 31.88737 3.546396  11.98333 1.750000   8.900000 3.000000   16.30000 4.200000   26.87015 5.060854   36.90459   4.969453 -10.03444 7.092793 
1 1 1   -6   14    3 o 23.43773 4.594995  7.031579 1.878947   4.600000 4.200000   9.000000 3.400000   20.08898 7.195601   26.78648   5.716574 -6.697504 9.189989 
1 1 1   -6   14    4 o 37.67422 3.230335  16.84615 1.938461   12.60000 3.600000   21.80000 4.200000   32.45536 4.843460   42.89309   4.275645 -10.43773 6.460669 
1 1 1   -6   14    5 o 14.04703 4.162426      0.05 1.707246   2.300000 3.100000  -2.700000 3.800000   15.83010 6.082200   12.26396   5.684191 3.566145 8.324853 
1 1 1   -6   14    6 o 41.10912 2.955590  20.39481 1.916883   23.20000 3.600000   17.20000 4.100000   44.39530 3.540831   37.82293   4.733347 6.572372 5.911181 
1 1 1   -6   14    7 o 21.08677 5.182267  5.400000 2.151724   4.100000 3.900000   7.000000 4.800000   18.96762 6.914513   23.20592   7.720951 -4.238295 10.36453 
1 1 1   -6   14    8 o 19.09904 4.160992  4.400000 1.500000   6.500000 3.000000   2.300000 3.000000   22.57089 5.778933   15.62719   5.988269 6.943704 8.321984 
1 1 1   -6   14    9 o 27.99298 4.611915  10.42326 2.139535   7.000000 4.600000   13.40000 4.000000   22.98635 7.554111   32.99961   5.292866 -10.01327 9.223829 
1 1 1   -6   14   10 o 19.92339 4.923218  4.951852 2.017284   2.700000 3.800000   7.500000 4.300000   16.66706 6.635247   23.17972   7.275011 -6.512653 9.846436 
1 1 1   -6   14   11 o 9.712840 3.210428 -3.814286 1.392857 -0.1000000 2.600000  -8.100000 3.000000   11.66977 5.107789   7.755909   3.890745 3.913861 6.420857 
1 1 1   -6   14   12 o 22.09486 4.588549  6.880282 1.774648   5.500000 3.500000   8.300000 3.600000   19.88338 6.591944   24.30633   6.384778 -4.422949 9.177097 
1 1 1   -6   14   13 o 14.27732 4.296774  1.043662 1.757746   0.000000 3.900000   1.900000 3.200000   13.82079 6.143385   14.73386   6.008983 -0.9130640 8.593548 
1 1 1   -6   14   14 o 17.21535 4.525589  2.566250 1.998750   7.100000 3.900000  -2.200000 4.100000   21.97034 6.933125   12.46035   5.818557 9.509998 9.051179 
1 1 1   -6   14   15 o 18.42258 4.980261  4.890476 2.095238   4.000000 4.400000   5.700000 4.000000   17.45848 7.073723   19.38668   7.012449 -1.928194 9.960522 
1 1 1   -6   16    1 o 16.77791 4.688601  3.481579 1.888158   2.100000 3.500000   5.100000 4.100000   14.87809 6.196950   18.67773   7.037734 -3.799638 9.377201 
1 1 1   -6   16    2 o 18.20943 4.776115  4.752000 1.874667   4.900000 3.700000   4.600000 3.800000   18.40184 6.730829   18.01703   6.777983 0.3848095 9.552231 
1 1 1   -6   16    3 o 19.98975 5.353968  5.918692 2.319626   5.100000 7.300000   6.300000 3.400000   19.43154 8.530504   20.54797   6.472279 -1.116426 10.70794 
1 1 1   -6   16    4 o 14.47793 4.410890  1.409210 1.888158   2.100000 3.500000  0.6000000 4.100000   14.84178 6.190662   14.11408   6.284863 0.7276983 8.821780 
1 1 1   -5    1    1 o 282.5791 3.295112  915.0511 15.06998   912.2000 30.70000   917.8000 29.60000   282.1428 4.751264   283.0155   4.566897 -0.8726807 6.590224 
1 1 1   -5    1    2 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -5    1    3 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -5    1    4 o 641.0386 10.30610  0.000000 0.000000          ?        ?   4721.400 151.3000          ?        ?   641.0386   10.30610       ?       ? 
1 1 1   -5    1    5 o 446.4701 3.924560  2283.554 28.36705   2356.200 57.70000   2213.300 55.80000   453.4525 5.556274   439.4876   5.544051 13.96490 7.849120 
1 1 1   -5    1    6 o 335.0614 2.953372  1285.157 16.01622   1229.100 31.30000   1343.900 32.80000   327.5830 4.172177   342.5397   4.181216 -14.95673 5.906744 
1 1 1   -5    1    7 o 299.4629 2.685306  1025.955 13.00384   984.4000 25.00000   1071.000 27.10000   293.1535 3.723785   305.7722   3.870000 -12.61868 5.370612 
1 1 1   -5    1    8 o 512.0356 5.140218  3012.741 41.27316   3058.400 72.40000   2952.200 96.00000   516.6323 6.119229   507.4388   8.260897 9.193481 10.28044 
1 1 1   -5    1    9 o 378.8764 3.719880  1639.473 20.78739   1622.200 33.20000   1668.400 55.60000   376.2968 3.852541   381.4559   6.364585 -5.159119 7.439759 
1 1 1   -5    1   10 o 92.93550 1.618050  97.73959 2.273958   93.50000 3.700000   104.5000 5.900000   90.35634 1.788063   95.51467   2.697253 -5.158333 3.236100 
1 1 1   -5    1   11 o 151.9831 1.887639  263.8800 4.180000   261.9000 6.600000   267.3000 11.40000   151.2211 1.905773   152.7450   3.258949 -1.523880 3.775277 
1 1 1   -5    1   12 o 187.3641 2.155193  403.0270 5.841270   405.4000 9.200000   398.9000 16.00000   188.1408 2.135230   186.5874   3.744358 1.553391 4.310385 
1 1 1   -5    1   13 o 80.89194 1.606609  74.79639 2.007229   74.10000 3.400000   75.80000 4.900000   80.43693 1.845709   81.34696   2.630234 -0.9100342 3.213219 
1 1 1   -5    1   14 o 148.8185 1.701122  253.2890 4.090244   263.2000 8.600000   244.3000 7.800000   151.5894 2.477247   146.0476   2.332061 5.541840 3.402243 
1 1 1   -5    1   15 o 175.4624 1.874100  352.5563 5.323944   362.9000 10.80000   342.5000 10.50000   178.0001 2.649374   172.9247   2.651381 5.075424 3.748200 
1 1 1   -5    1   16 o 336.6638 2.906452  1296.195 15.80442   1363.100 33.40000   1236.100 30.00000   344.8862 4.228734   328.4413   3.988441 16.44485 5.812904 
1 1 1   -5    1   17 o 206.4132 2.027151  488.1310 6.774169   485.3000 13.70000   490.9000 13.40000   205.8198 2.906518   207.0066   2.826574 -1.186752 4.054303 
1 1 1   -5    1   18 o 160.5196 1.875827  295.2759 4.874872   300.3000 9.700000   290.2000 9.800000   161.8939 2.616261   159.1454   2.688882 2.748489 3.751654 
1 1 1   -5    1   19 o 319.4260 2.836780  1167.918 14.62862   1122.900 27.70000   1218.300 31.00000   312.9326 3.865171   325.9194   4.153280 -12.98685 5.673560 
1 1 1   -5    1   20 o 65.14553 2.023249  48.77882 2.124706   42.80000 4.200000   54.90000 4.300000   61.09139 3.001988   69.19968   2.713339 -8.108288 4.046498 
1 1 1   -5    1   21 o 164.7370 1.790233  311.3126 4.773822   312.1000 9.400000   310.5000 9.700000   164.9536 2.488317   164.5204   2.574493 0.4332428 3.580466 
1 1 1   -5    1   22 o 160.9206 1.890062  297.5198 4.924873   291.6000 9.800000   303.5000 9.900000   159.3088 2.686123   162.5324   2.659714 -3.223541 3.780124 
1 1 1   -5    1   23 o 77.54292 1.614331  69.12222 2.022222   68.50000 4.200000   69.70000 3.900000   77.19477 2.375752   77.89108   2.186335 -0.6963043 3.228662 
1 1 1   -5    1   24 f 57.59853 2.507091  39.93218 2.022989   43.50000 3.200000   33.80000 5.500000   61.45919 2.273541   53.73787   4.469119 7.721317 5.014182 
1 1 1   -5    1   25 o 17.12745 4.605889  2.179167 1.631944  0.2000000 2.500000   5.900000 4.700000   12.10538 5.150281   22.14952   7.637503 -10.04414 9.211778 
1 1 1   -5    1   26 o 51.58047 2.485287  32.35063 1.936709   37.30000 3.400000   25.80000 4.500000   56.63152 2.621564   46.52943   4.223034 10.10209 4.970575 
1 1 1   -5    1   27 o 39.37502 3.163959  18.81795 1.794872   18.10000 2.800000   20.10000 5.000000   39.04588 3.131284   39.70415   5.498874 -0.6582756 6.327919 
1 1 1   -5    1   28 o 33.31408 4.389030  14.77826 2.191304   12.90000 3.600000   17.70000 5.600000   31.76363 4.948938   34.86454   7.249989 -3.100904 8.778060 
1 1 1   -5    3    1 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -5    3    2 o 665.9982 7.906581  5078.451 85.00102   5363.800 180.7000   4825.000 160.5000   683.5692 11.54291   648.4272   10.80820 35.14203 15.81316 
1 1 1   -5    3    3 o 360.2831 3.094010  1486.851 18.04501   1481.000 35.50000   1492.900 36.70000   359.5644 4.311132   361.0018   4.439115 -1.437408 6.188021 
1 1 1   -5    3    4 f 176.6330 1.765719  357.0470 5.042079   349.7000 9.700000   365.0000 10.50000   174.7429 2.423884   178.5230   2.568236 -3.780075 3.531437 
1 1 1   -5    3    5 o 460.4858 3.862572  2429.394 28.78950   2418.800 56.50000   2440.400 58.70000   459.4672 5.369498   461.5045   5.553949 -2.037262 7.725145 
1 1 1   -5    3    6 o 238.8272 2.329119  652.3333 8.960000   638.1000 16.80000   668.6000 19.20000   236.0423 3.107844   241.6122   3.469941 -5.569931 4.658238 
1 1 1   -5    3    7 o 246.1307 2.308596  693.9426 9.199728   674.3000 18.30000   713.8000 18.50000   242.6273 3.293450   249.6341   3.235993 -7.006760 4.617192 
1 1 1   -5    3    8 o 383.0532 3.377446  1681.730 20.94893   1651.200 41.60000   1712.700 42.20000   379.5506 4.785897   386.5558   4.766943 -7.005188 6.754892 
1 1 1   -5    3    9 o 68.78604 1.056394  54.19361 1.174468   59.30000 2.400000   49.30000 2.300000   71.95990 1.456332   65.61217   1.530675 6.347725 2.112787 
1 1 1   -5    3   10 o 192.5825 1.988266  424.8379 6.198387   424.1000 12.20000   425.6000 12.60000   192.4136 2.768622   192.7513   2.854388 -0.3376617 3.976531 
1 1 1   -5    3   11 o 297.5796 2.698284  1014.484 12.99058   1020.800 26.70000   1008.500 25.30000   298.4769 3.906072   296.6823   3.723648 1.794678 5.396568 
1 1 1   -5    3   12 o 307.8241 4.170465  1086.000 29.40000   1086.000 29.40000          ?        ?   307.8241 4.170465          ?          ?       ?       ? 
1 1 1   -5    3   13 o 45.98516 1.545754  24.17826 1.147826   27.10000 2.400000   21.50000 2.200000   48.64351 2.154399   43.32682   2.217204 5.316685 3.091509 
1 1 1   -5    3   14 o 422.4648 3.601671  2043.354 24.54254   2089.900 52.10000   2001.900 46.40000   426.9888 5.327959   417.9407   4.847781 9.048096 7.203341 
1 1 1   -5    3   15 o 228.5684 2.547811  598.7746 9.195990   600.3000 16.30000   596.8000 21.10000   228.9185 3.109184   228.2184   4.037119 0.7000885 5.095622 
1 1 1   -5    3   16 o 233.3076 2.585099  622.5106 8.693899   619.3000 13.60000   628.2000 24.10000   232.5188 2.553998   234.0963   4.495337 -1.577454 5.170198 
1 1 1   -5    3   17 o 101.5124 1.888290  118.7927 3.058537   126.3000 5.700000   110.1000 6.600000   105.0006 2.370406   98.02409   2.940023 6.976517 3.776581 
1 1 1   -5    3   18 o 162.9486 2.078423  308.2389 4.990521   320.6000 8.100000   288.4000 13.00000   167.2917 2.114221   158.6055   3.579027 8.686218 4.156845 
1 1 1   -5    3   19 o 145.1620 1.821102  242.3988 3.991617   245.6000 6.600000   237.5000 10.10000   146.4098 1.968401   143.9144   3.064481 2.495407 3.642204 
1 1 1   -5    3   20 o 150.7395 2.179588  261.1413 4.821845   262.3000 7.700000   259.2000 12.90000   151.2656 2.222749   150.2135   3.749907 1.052109 4.359176 
1 1 1   -5    3   21 o 36.02589 2.897647  15.49062 1.543750   17.40000 2.600000   12.70000 3.800000   38.91508 2.917394   33.13671   5.007419 5.778374 5.795294 
1 1 1   -5    3   22 o 76.63884 1.718790  67.32857 2.023810   66.60000 3.400000   68.40000 5.000000   76.17674 1.948930   77.10094   2.831718 -0.9241943 3.437580 
1 1 1   -5    3   23 o 44.51013 2.241636  22.69375 1.543750   21.80000 2.600000   24.00000 3.800000   43.50311 2.609713   45.51715   3.645426 -2.014038 4.483272 
1 1 1   -5    3   24 o 112.8193 1.848346  148.7769 3.076923   154.2000 5.000000   140.1000 8.000000   115.7691 1.885893   109.8694   3.179456 5.899673 3.696692 
1 1 1   -5    3   25 o 55.68546 2.491262  35.05814 1.813953   32.70000 2.600000   40.50000 6.000000   53.17466 2.135051   58.19627   4.501900 -5.021606 4.982524 
1 1 1   -5    3   26 o 28.02721 3.959897  9.542857 1.577143   8.000000 2.400000   12.50000 4.600000   25.72642 4.073537   30.32801   6.791864 -4.601593 7.919793 
1 1 1   -5    3   27 o 18.36037 3.556511  3.104762 1.571429   9.200000 3.000000  -3.600000 3.300000   26.44905 5.137969   10.27169   4.918980 16.17736 7.113022 
1 1 1   -5    3   28 o 33.09651 3.018448  13.95000 1.600000   16.10000 3.200000   11.80000 3.200000   35.93309 3.888616   30.25992   4.617660 5.673174 6.036896 
1 1 1   -5    5    1 o 187.7872 1.874283  403.6105 5.692983   415.1000 11.80000   392.9000 11.00000   190.3662 2.706649   185.2082   2.593415 5.157944 3.748567 
1 1 1   -5    5    2 o 206.8101 2.022928  489.6115 6.767528   478.3000 13.10000   501.7000 14.00000   204.3423 2.799321   209.2779   2.921087 -4.935577 4.045856 
1 1 1   -5    5    3 o 417.5406 3.582768  1998.518 24.22188   2014.700 49.00000   1982.700 47.90000   419.2083 5.103944   415.8730   5.029381 3.335297 7.165537 
1 1 1   -5    5    4 o 260.2872 2.413988  776.1669 10.17445   771.7000 20.20000   780.7000 20.50000   259.5333 3.398584   261.0411   3.429136 -1.507782 4.827975 
1 1 1   -5    5    5 o 186.5389 1.928380  398.4970 5.822318   403.4000 11.90000   393.8000 11.40000   187.6611 2.768932   185.4167   2.684699 2.244385 3.856760 
1 1 1   -5    5    6 o 78.34549 1.229575  70.41613 1.535484   71.50000 2.800000   69.10000 3.400000   79.01543 1.547340   77.67554   1.911324 1.339897 2.459151 
1 1 1   -5    5    7 o 162.7043 1.721717  303.5807 4.513812   296.6000 9.500000   309.9000 8.600000   160.9173 2.577867   164.4912   2.282946 -3.573837 3.443434 
1 1 1   -5    5    8 o 353.2864 3.234330  1430.696 18.49878   1412.500 37.30000   1448.600 36.70000   351.0528 4.639552   355.5200   4.507562 -4.467194 6.468660 
1 1 1   -5    5    9 o 101.5151 1.218527  118.1488 1.998750   122.0000 3.900000   114.1000 4.100000   103.2145 1.649923   99.81576   1.793595 3.398712 2.437054 
1 1 1   -5    5   10 f 550.1989 4.684282  3473.425 41.71959   3514.700 82.50000   3431.200 84.40000   553.5240 6.508144   546.8737   6.738995 6.650330 9.368564 
1 1 1   -5    5   11 o 233.4424 2.236885  624.6118 8.448817   642.3000 16.70000   606.5000 17.10000   236.7917 3.079567   230.0930   3.245132 6.698746 4.473770 
1 1 1   -5    5   12 o 264.5172 2.503138  800.4634 10.70816   760.8000 20.60000   843.4000 22.30000   257.7044 3.490480   271.3300   3.588780 -13.62558 5.006275 
1 1 1   -5    5   13 o 571.0883 4.841251  3740.077 44.75377   3653.700 87.60000   3830.300 91.50000   564.3599 6.777782   577.8166   6.914659 -13.45667 9.682502 
1 1 1   -5    5   14 o 208.9020 2.069274  499.8139 6.996786   506.3000 14.30000   493.6000 13.70000   210.2273 2.970206   207.5767   2.881919 2.650620 4.138548 
1 1 1   -5    5   15 o 285.7258 2.770433  935.0430 12.74355   947.2000 27.30000   924.4000 23.90000   287.4490 4.147072   284.0027   3.674643 3.446259 5.540867 
1 1 1   -5    5   16 o 255.4371 2.571603  747.4417 10.58212   759.3000 22.60000   737.0000 19.90000   257.3220 3.835052   253.5522   3.427090 3.769836 5.143206 
1 1 1   -5    5   17 o 439.7430 3.899936  2220.701 27.70234   2225.700 57.80000   2216.100 53.20000   440.1651 5.733924   439.3210   5.287732 0.8441467 7.799871 
1 1 1   -5    5   18 o 161.9360 1.812750  300.5621 4.741579   299.7000 9.100000   301.5000 9.900000   161.7007 2.457362   162.1713   2.665636 -0.4705963 3.625499 
1 1 1   -5    5   19 o 125.2425 1.762941  179.8832 3.573427   180.7000 7.300000   179.1000 7.000000   125.5172 2.539565   124.9678   2.445905 0.5494080 3.525882 
1 1 1   -5    5   20 o 94.69465 1.744218  102.8766 2.672897   107.4000 5.500000   98.60000 5.200000   96.71649 2.483144   92.67281   2.450139 4.043686 3.488436 
1 1 1   -5    5   21 o 62.10121 2.054690  44.31605 1.935802   44.00000 3.200000   44.80000 4.900000   61.88761 2.257803   62.31480   3.433559 -0.4271927 4.109380 
1 1 1   -5    5   22 o 53.68249 2.173475  32.38667 1.754667   29.40000 2.800000   37.40000 4.700000   50.54054 2.419122   56.82444   3.611623 -6.283897 4.346950 
1 1 1   -5    5   23 o 48.62436 2.788389  27.94000 2.040000   29.10000 3.400000   26.20000 5.100000   50.11693 2.962335   47.13178   4.724937 2.985146 5.576778 
1 1 1   -5    5   24 o 46.78008 2.558400  26.27568 1.763514   28.00000 2.900000   23.60000 4.500000   49.09592 2.579243   44.46422   4.419178 4.631702 5.116799 
1 1 1   -5    5   25 o 17.12253 4.754073  2.494737 1.603947  0.8000000 2.300000   6.400000 5.300000   12.21477 5.050179   22.03029   8.056087 -9.815515 9.508146 
1 1 1   -5    5   26 o 21.52070 4.082348  6.366666 1.666667   8.900000 2.500000   1.300000 5.000000   26.86492 4.063444   16.17648   7.081715 10.68843 8.164696 
1 1 1   -5    5   27 o 19.43167 4.750671  5.236709 1.708861   5.300000 2.500000   5.100000 5.400000   19.62665 5.394913   19.23668   7.821153 0.3899651 9.501343 
1 1 1   -5    7    1 o 153.0218 2.059176  268.9307 4.742714   265.1000 12.10000   271.4000 7.800000   152.1093 3.473517   153.9343   2.212580 -1.825027 4.118352 
1 1 1   -5    7    2 o 198.3575 2.591321  449.9615 7.692307   454.7000 20.00000   447.0000 12.50000   199.1752 4.384645   197.5397   2.763092 1.635513 5.182642 
1 1 1   -5    7    3 o 307.0121 3.891036  1081.369 19.30479   1095.400 37.40000   1066.400 39.90000   309.0887 5.283579   304.9355   5.713531 4.153168 7.782072 
1 1 1   -5    7    4 o 175.0182 1.889999  350.8990 5.338318   351.9000 10.20000   349.8000 11.20000   175.2825 2.540980   174.7539   2.798535 0.5285797 3.779997 
1 1 1   -5    7    5 o 221.6238 2.062321  562.5959 7.396960   562.4000 14.50000   562.8000 15.10000   221.5858 2.857366   221.6618   2.974582 -0.7598877E-01 4.124642 
1 1 1   -5    7    6 o 192.7865 1.865661  425.1300 5.812017   441.1000 12.20000   410.6000 11.10000   196.2378 2.714669   189.3352   2.559949 6.902573 3.731323 
1 1 1   -5    7    7 o 105.8413 1.487770  128.2647 2.549020   126.5000 5.000000   130.1000 5.200000   105.0990 2.077357   106.5836   2.130358 -1.484596 2.975540 
1 1 1   -5    7    8 o 155.9372 1.703003  278.1989 4.290698   286.1000 9.000000   271.0000 8.200000   158.0498 2.486499   153.8246   2.327704 4.225189 3.406007 
1 1 1   -5    7    9 o 431.4684 3.703349  2132.854 25.85179   2094.100 50.20000   2174.000 53.30000   427.4385 5.128257   435.4984   5.344171 -8.059967 7.406698 
1 1 1   -5    7   10 o 756.7029 11.89302  0.000000 0.000000          ?        ?   6597.300 206.1000          ?        ?   756.7029   11.89302       ?       ? 
1 1 1   -5    7   11 o 19.57698 4.114374  4.444643 1.398214   4.600000 2.900000   4.300000 2.700000   19.90997 5.922708   19.24400   5.712603 0.6659698 8.228748 
1 1 1   -5    7   12 o 110.5632 1.541391  140.2873 2.741818   144.4000 5.200000   135.7000 5.800000   112.2829 2.022224   108.8435   2.326833 3.439468 3.082782 
1 1 1   -5    7   13 f 178.8719 1.933387  366.5482 5.598214   369.5000 11.40000   363.7000 11.00000   179.5779 2.771990   178.1660   2.695924 1.411880 3.866773 
1 1 1   -5    7   14 o 230.6113 2.317280  609.6087 8.642775   609.3000 17.80000   609.9000 16.80000   230.5476 3.371313   230.6751   3.180155 -0.1275177 4.634559 
1 1 1   -5    7   15 o 61.64577 1.945164  43.09351 1.851948   41.00000 3.100000   46.20000 4.600000   59.81658 2.262975   63.47496   3.164427 -3.658382 3.890328 
1 1 1   -5    7   16 o 132.2927 1.820649  200.6500 3.900000   197.4000 7.800000   203.9000 7.800000   131.2200 2.595579   133.3655   2.553824 -2.145462 3.641297 
1 1 1   -5    7   17 o 16.97497 4.627717  1.845946 1.837838   3.900000 4.000000  0.1000000 3.400000   19.74777 7.027613   14.20217   6.022932 5.545604 9.255434 
1 1 1   -5    7   18 o 125.9496 1.850984  182.0874 3.770861   185.6000 7.800000   178.8000 7.300000   127.1159 2.679380   124.7832   2.554504 2.332764 3.701968 
1 1 1   -5    7   19 o 110.5527 1.621578  140.4552 2.896552   142.0000 5.600000   138.8000 6.000000   111.1968 2.199053   109.9085   2.383743 1.288216 3.243156 
1 1 1   -5    7   20 o 54.73408 1.915906  34.26765 1.686765   29.80000 3.100000   39.60000 3.700000   50.85622 2.661689   58.61194   2.756483 -7.755718 3.831813 
1 1 1   -5    7   21 o 24.82088 3.751214  7.740000 1.493333   10.40000 2.800000   4.700000 3.200000   29.81762 4.100386   19.82414   6.282775 9.993477 7.502428 
1 1 1   -5    7   22 o 15.29560 3.752214 0.7350878 1.403509   5.900000 3.200000  -3.300000 2.500000   21.64111 6.160882   8.950089   4.284854 12.69102 7.504428 
1 1 1   -5    7   23 o 23.28765 4.115396  6.818919 1.828378   11.10000 3.300000   1.500000 4.100000   30.36733 4.745118   16.20798   6.725309 14.15935 8.230791 
1 1 1   -5    7   24 o 36.00468 3.098770  15.92500 1.798611   15.00000 3.700000   16.80000 3.500000   34.84313 4.636863   37.16624   4.112056 -2.323116 6.197540 
1 1 1   -5    7   25 o 14.11945 4.498886 -0.2400000 2.040000  -1.000000 3.400000  0.9000000 5.100000   12.21938 5.556015   16.01952   7.077470 -3.800136 8.997771 
1 1 1   -5    7   26 o 33.08878 4.208310  15.93000 1.820000   17.40000 2.800000   13.20000 5.200000   37.77114 3.236962   28.40642   7.769271 9.364717 8.416620 
1 1 1   -5    9    1 o 92.05012 1.593367  97.04948 2.374737   97.00000 4.700000   97.10000 4.800000   92.02666 2.230098   92.07358   2.276386 -0.4692078E-01 3.186733 
1 1 1   -5    9    2 o 38.45207 2.503363  16.99839 1.543548   17.70000 2.900000   16.20000 3.300000   39.30539 3.221704   37.59875   3.832483 1.706638 5.006726 
1 1 1   -5    9    3 o 27.30996 3.616671  9.037704 1.521312   6.100000 3.200000   11.70000 2.900000   22.66814 6.050994   31.95178   3.963170 -9.283640 7.233342 
1 1 1   -5    9    4 o 131.4944 1.609910  197.9657 3.416058   199.7000 7.200000   196.4000 6.500000   132.0404 2.381033   130.9483   2.167470 1.092056 3.219820 
1 1 1   -5    9    5 o 360.7003 3.171573  1491.444 18.52416   1490.600 36.80000   1492.300 37.30000   360.6001 4.456170   360.8004   4.514207 -0.2003784 6.343147 
1 1 1   -5    9    6 o 241.4773 2.331722  666.8390 9.029671   684.3000 19.80000   652.2000 16.60000   244.3653 3.538061   238.5893   3.038064 5.776031 4.663444 
1 1 1   -5    9    7 o 202.0933 2.055647  467.9565 6.720446   467.7000 13.80000   468.2000 13.10000   202.0360 2.982565   202.1505   2.829673 -0.1144562 4.111295 
1 1 1   -5    9    8 o 122.1151 1.733040  170.7146 3.416058   173.5000 7.200000   168.2000 6.500000   123.0595 2.554801   121.1706   2.342371 1.888847 3.466080 
1 1 1   -5    9    9 o 194.1883 2.163028  430.7879 6.755515   453.0000 14.70000   411.9000 12.50000   198.7943 3.228889   189.5823   2.879068 9.211975 4.326056 
1 1 1   -5    9   10 o 215.2497 2.216561  530.7456 7.715210   539.6000 16.00000   522.5000 14.90000   216.9772 3.219924   213.5221   3.047075 3.455063 4.433122 
1 1 1   -5    9   11 o 115.7715 1.733957  153.6154 3.249231   154.6000 6.400000   152.6000 6.600000   116.1501 2.406024   115.3929   2.497495 0.7572327 3.467915 
1 1 1   -5    9   12 o 97.19099 1.731177  108.1982 2.722936   112.0000 5.600000   104.6000 5.300000   98.85073 2.473705   95.53125   2.422535 3.319481 3.462353 
1 1 1   -5    9   13 o 35.37440 2.968766  14.04853 1.627941   12.50000 2.700000   16.40000 4.100000   32.99485 3.573200   37.75395   4.741996 -4.759094 5.937531 
1 1 1   -5    9   14 o 84.70654 1.713722  82.30638 2.348936   82.00000 4.800000   82.60000 4.600000   84.54885 2.478981   84.86424   2.366861 -0.3153915 3.427445 
1 1 1   -5    9   15 o 176.3464 2.083867  357.3807 5.946218   354.7000 11.60000   360.2000 12.20000   175.6823 2.883166   177.0104   3.009544 -1.328140 4.167734 
1 1 1   -5    9   16 o 79.93082 1.660925  73.36047 2.148837   71.70000 4.200000   75.10000 4.400000   79.00803 2.321228   80.85360   2.376255 -1.845566 3.321850 
1 1 1   -5    9   17 o 20.79030 4.622630  4.988572 1.737143   6.400000 3.800000   3.800000 3.200000   23.01878 6.762296   18.56182   6.304458 4.456955 9.245260 
1 1 1   -5    9   18 o 53.60349 2.102745  33.20137 1.824658   33.30000 3.600000   33.10000 3.700000   53.69161 2.927762   53.51537   3.018998 0.1762352 4.205490 
1 1 1   -5    9   19 o 77.86183 1.666222  69.89047 2.095238   71.20000 4.400000   68.70000 4.000000   78.53483 2.446415   77.18883   2.262795 1.346001 3.332445 
1 1 1   -5    9   20 o 14.77200 4.348768  1.004348 1.724638   1.300000 3.400000  0.7000000 3.500000   15.01486 6.166754   14.52913   6.133374 0.4857349 8.697536 
1 1 1   -5    9   21 o 20.77223 4.211206  5.544445 1.555556   7.100000 2.800000   3.600000 3.500000   23.65607 5.299860   17.88840   6.545878 5.767670 8.422413 
1 1 1   -5    9   22 o 24.25706 4.464137  7.642857 2.095238   1.500000 4.000000   14.40000 4.400000   15.56244 6.562526   32.95169   6.053703 -17.38924 8.928273 
1 1 1   -5    9   23 o 15.11347 4.513916  1.067500 1.995000  -1.400000 4.200000   3.300000 3.800000   13.23679 6.077492   16.99014   6.675765 -3.753350 9.027831 
1 1 1   -5    9   24 o 16.65167 3.813777  2.800000 1.500000  -1.700000 3.000000   7.300000 3.000000   10.68613 4.985736   22.61721   5.772524 -11.93108 7.627555 
1 1 1   -5   11    1 o 78.96072 2.038587  71.33654 2.575961   73.20000 5.700000   69.80000 4.700000   79.89053 3.115439   78.03090   2.630092 1.859634 4.077173 
1 1 1   -5   11    2 o 86.65184 2.049803  86.05217 2.869565   85.00000 5.500000   87.20000 6.000000   86.10272 2.789237   87.20095   3.004483 -1.098228 4.099606 
1 1 1   -5   11    3 o 35.55773 3.534112  14.57654 2.024691   12.70000 4.000000   16.50000 4.100000   33.22631 5.256752   37.88915   4.725075 -4.662834 7.068223 
1 1 1   -5   11    4 o 30.36640 4.394213  10.62500 2.003572   8.700000 3.300000   13.60000 5.100000   27.00550 5.522118   33.72731   6.836860 -6.721815 8.788426 
1 1 1   -5   11    5 o 43.73814 3.219269  22.02637 2.272527   22.80000 4.400000   21.20000 4.700000   44.54255 4.313376   42.93373   4.780121 1.608814 6.438538 
1 1 1   -5   11    6 o 99.99083 1.899244  114.4724 3.065041   110.7000 5.800000   118.7000 6.500000   98.25295 2.577639   101.7287   2.790035 -3.475746 3.798489 
1 1 1   -5   11    7 o 85.57368 1.880351  83.93077 2.584615   84.90000 5.600000   83.10000 4.800000   86.02151 2.842632   85.12585   2.462178 0.8956604 3.760702 
1 1 1   -5   11    8 o 37.78562 3.104121  16.40526 1.894737   17.30000 4.000000   15.60000 3.600000   38.75691 4.506615   36.81432   4.269976 1.942589 6.208242 
1 1 1   -5   11    9 o 22.24142 4.555948  5.714286 1.714286   4.300000 3.000000   7.600000 4.000000   19.34986 6.077176   25.13298   6.789300 -5.783121 9.111897 
1 1 1   -5   11   10 o 86.54482 1.733891  86.05670 2.418557   87.10000 4.600000   84.90000 5.100000   87.11179 2.305794   85.97785   2.590140 1.133942 3.467782 
1 1 1   -5   11   11 o 17.94302 4.729066  1.531707 2.019512  -2.200000 3.600000   6.300000 4.600000   12.51856 5.701715   23.36748   7.546305 -10.84892 9.458133 
1 1 1   -5   11   12 o 48.70322 2.673992  27.49881 2.098809   25.40000 4.300000   29.50000 4.100000   46.85460 4.007338   50.55184   3.541495 -3.697247 5.347985 
1 1 1   -5   11   13 o 59.11600 2.330935  40.46067 2.222472   42.20000 4.300000   38.60000 4.600000   60.46360 3.105376   57.76841   3.477019 2.695190 4.661869 
1 1 1   -5   11   14 o 43.17228 2.505162  21.14000 1.680000   18.90000 2.800000   24.50000 4.200000   40.44635 3.022863   45.89820   3.995704 -5.451855 5.010324 
1 1 1   -5   11   15 o 70.83582 1.792657  57.96829 2.039024   57.70000 4.400000   58.20000 3.800000   70.63744 2.719928   71.03421   2.335908 -0.3967743 3.585314 
1 1 1   -5   11   16 o 53.99754 2.034880  33.90282 1.774648   30.60000 3.500000   37.30000 3.600000   51.29946 2.979168   56.69563   2.772634 -5.396175 4.069759 
1 1 1   -5   11   17 o 26.98858 4.582481  9.306250 1.968750   6.900000 3.500000   12.40000 4.500000   23.06671 6.400304   30.91045   6.559927 -7.843740 9.164962 
1 1 1   -5   11   18 o 55.33768 2.294158  36.49630 2.022222   31.00000 4.200000   41.60000 3.900000   51.09551 3.589271   59.57985   2.858281 -8.484337 4.588315 
1 1 1   -5   11   19 o 20.63631 5.012667  5.748148 2.022222   5.700000 3.900000   5.800000 4.200000   20.54796 6.960027   20.72465   7.215631 -0.1766872 10.02533 
1 1 1   -5   11   20 o 44.30479 3.296862  24.79787 2.348936   27.00000 4.600000   22.50000 4.800000   46.61507 4.308947   41.99452   4.991009 4.620556 6.593723 
1 1 1   -5   11   21 o 16.28024 4.384090  2.983099 1.732394   4.800000 3.000000  0.5000000 4.100000   18.40364 6.103030   14.15683   6.295556 4.246800 8.768181 
1 1 1   -5   13    1 o 47.26374 2.565182  26.21818 1.909091   28.90000 3.500000   23.00000 4.200000   50.03628 3.054378   44.49121   4.122065 5.545071 5.130364 
1 1 1   -5   13    2 f 14.25024 4.719875 -3.000000 2.176000  -3.000000 3.200000  -3.000000 6.800000   10.97840 5.131201   17.52209   7.923362 -6.543682 9.439751 
1 1 1   -5   13    3 o 35.71705 3.224646  14.95000 1.850000   12.80000 3.700000   17.10000 3.700000   33.08858 4.882736   38.34552   4.213343 -5.256931 6.449293 
1 1 1   -5   13    4 o 54.98937 2.834398  35.03862 2.518812   32.90000 4.800000   37.40000 5.300000   53.24115 3.936711   56.73760   4.078915 -3.496449 5.668795 
1 1 1   -5   13    5 o 21.44811 4.263994  5.519048 1.571429   3.900000 3.000000   7.300000 3.300000   18.50065 6.101489   24.39557   5.958055 -5.894917 8.527987 
1 1 1   -5   13    6 o 51.76031 2.818815  31.51290 2.322581   36.40000 4.500000   26.30000 4.800000   56.04567 3.505986   47.47496   4.414855 8.570713 5.637630 
1 1 1   -5   13    7 o 29.48620 3.785607  10.54286 1.748571   12.00000 3.400000   9.000000 3.600000   31.97816 4.642642   26.99425   5.980731 4.983904 7.571214 
1 1 1   -5   13    8 o 52.13722 2.363196  31.18125 1.968750   27.20000 3.500000   36.30000 4.500000   48.42256 3.156167   55.85188   3.518151 -7.429317 4.726391 
1 1 1   -5   13    9 o 31.49681 4.549877  12.30769 2.272527   10.50000 4.700000   14.00000 4.400000   28.75475 7.163620   34.23888   5.611421 -5.484123 9.099753 
1 1 1   -5   13   10 o 33.82843 3.572819  13.70000 1.950000   15.00000 3.900000   12.40000 3.900000   35.50647 4.796196   32.15040   5.296854 3.356071 7.145639 
1 1 1   -5   13   11 o 45.46321 2.442546  24.07917 1.787500   21.10000 3.300000   27.60000 3.900000   42.43352 3.395820   48.49290   3.511771 -6.059380 4.885092 
1 1 1   -5   13   12 o 56.99757 2.330150  37.95581 2.139535   32.70000 4.000000   44.00000 4.600000   52.76968 3.309903   61.22545   3.280693 -8.455765 4.660301 
1 1 1   -5   13   13 o 15.24152 4.357958  1.438572 1.727143   2.900000 3.100000 -0.4000000 3.900000   16.47292 6.136631   14.01011   6.189422 2.462807 8.715916 
1 1 1   -5   13   14 o 19.76669 4.516044  5.176471 1.694118   6.400000 3.200000   3.800000 3.600000   21.75375 6.149745   17.77962   6.615078 3.974131 9.032088 
1 1 1   -5   13   15 o 25.91497 4.248367  9.097143 1.698571   8.600000 2.900000   9.800000 4.100000   25.61484 5.122605   26.21511   6.778895 -0.6002789 8.496735 
1 1 1   -5   13   16 o 14.81729 4.174873  1.993443 1.514754  0.8000000 2.800000   3.400000 3.300000   12.87799 5.463790   16.75659   6.313893 -3.878600 8.349746 
1 1 1   -5   13   17 o 19.31601 4.756463  5.291892 1.740541   4.800000 2.800000   6.100000 4.600000   18.50861 5.878184   20.12342   7.479485 -1.614809 9.512925 
1 1 1   -5   15    1 o 22.18165 5.030181  6.723171 2.006098   5.400000 3.500000   8.500000 4.700000   20.05821 6.589166   24.30510   7.602222 -4.246891 10.06036 
1 1 1   -5   15    2 o 22.70376 4.992456  7.055814 1.953488   7.300000 3.000000   6.600000 5.600000   23.47013 5.649471   21.93739   8.232979 1.532738 9.984912 
1 1 1   -5   15    3 o 20.18818 4.708207  5.450000 1.800000   6.300000 3.600000   4.600000 3.600000   21.46972 6.643270   18.90664   6.673516 2.563084 9.416414 
1 1 1   -5   15    4 o 14.59282 4.220620  1.412500 1.575000  0.1000000 2.800000   3.100000 3.600000   12.27830 5.338812   16.90734   6.538471 -4.629039 8.441239 
1 1 1   -5   15    5 o 24.13012 4.759232  8.160000 2.101177   11.20000 3.800000   4.400000 4.700000   29.05045 5.912839   19.20978   7.459188 9.840664 9.518464 
1 1 1   -5   15    6 o 20.88540 5.279902  5.570297 2.512871   9.200000 4.700000   1.400000 5.400000   24.93719 7.567724   16.83360   7.364713 8.103590 10.55980 
1 1 1   -5   15    7 o 16.52561 4.722910  1.227586 2.151724   6.800000 4.800000  -3.300000 3.900000   21.49676 7.693209   11.55447   5.480700 9.942294 9.445821 
1 1 1   -5   15    8 o 15.24701 4.456749  1.538356 1.783562 -0.5000000 3.100000   4.300000 4.200000   12.09125 5.418533   18.40277   7.077426 -6.311524 8.913499 
1 1 1   -5   15    9 o 21.15608 5.320475  6.289796 2.424490   8.400000 4.400000   3.700000 5.400000   23.79891 7.341183   18.51324   7.703042 5.285664 10.64095 
1 1 1   -5   15   10 o 24.20230 4.586129  7.815556 2.232222  0.8000000 4.100000   16.20000 4.900000   14.60691 6.403213   33.79769   6.567282 -19.19078 9.172258 
1 1 1   -5   15   11 o 15.12762 4.544727  1.230233 2.093023   3.700000 3.600000  -2.200000 5.000000   16.81240 6.528227   13.44285   6.324588 3.369556 9.089454 
1 1 1   -4    0    1 o 1.063488 0.7700763 -0.2000000 0.1000000 -0.2000000 0.1000000 -0.2000000 0.1000000   1.063488 0.7700763   1.063488  0.7700763 -0.000000 0.000000 
1 1 1   -4    0    2 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -4    0    3 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -4    0    4 o 363.1710 4.245578  1511.300 35.30000   1511.300 35.30000   1511.300 35.30000   363.1710 4.245578   363.1710   4.245578 0.000000 0.000000 
1 1 1   -4    0    5 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -4    0    6 o 30.48631 1.294379  10.70000 0.9000000   10.70000 0.9000000   10.70000 0.9000000   30.48631 1.294379   30.48631   1.294379 0.000000 0.000000 
1 1 1   -4    0    7 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -4    0    8 o 554.2794 6.580143  3520.800 83.50000   3520.800 83.50000   3520.800 83.50000   554.2794 6.580143   554.2794   6.580143 0.000000 0.000000 
1 1 1   -4    0    9 o 214.7573 3.010549  528.5000 14.80000   528.5000 14.80000   528.5000 14.80000   214.7573 3.010549   214.7573   3.010549 0.000000 0.000000 
1 1 1   -4    0   10 o 203.6109 2.917955  475.1000 13.60000   475.1000 13.60000   475.1000 13.60000   203.6109 2.917955   203.6109   2.917955 0.000000 0.000000 
1 1 1   -4    0   11 o 715.1657 8.336785  5869.300 136.5000   5869.300 136.5000   5869.300 136.5000   715.1657 8.336785   715.1657   8.336785 0.000000 0.000000 
1 1 1   -4    0   12 o 286.4261 3.538054  940.1000 23.20000   940.1000 23.20000   940.1000 23.20000   286.4261 3.538054   286.4261   3.538054 -0.000000 0.000000 
1 1 1   -4    0   13 o 323.1080 3.839268  1196.400 28.40000   1196.400 28.40000   1196.400 28.40000   323.1080 3.839268   323.1080   3.839268 0.000000 0.000000 
1 1 1   -4    0   14 o 47.12205 2.235424  25.60000 2.400000   25.60000 2.400000   25.60000 2.400000   47.12205 2.235424   47.12205   2.235424 0.000000 0.000000 
1 1 1   -4    0   15 o 94.04491 1.858863  101.4000 4.000000   101.4000 4.000000   101.4000 4.000000   94.04491 1.858863   94.04491   1.858863 -0.000000 0.000000 
1 1 1   -4    0   16 o 172.2665 2.637556  340.1000 10.40000   340.1000 10.40000   340.1000 10.40000   172.2665 2.637556   172.2665   2.637556 0.000000 0.000000 
1 1 1   -4    0   17 o 170.9462 2.530054  334.9000 9.900000   334.9000 9.900000   334.9000 9.900000   170.9462 2.530054   170.9462   2.530054 0.000000 0.000000 
1 1 1   -4    0   18 o 96.79793 2.303561  107.5000 5.100000   107.5000 5.100000   107.5000 5.100000   96.79793 2.303561   96.79793   2.303561 -0.000000 0.000000 
1 1 1   -4    0   19 o 168.8490 2.587445  326.8000 10.00000   326.8000 10.00000   326.8000 10.00000   168.8490 2.587445   168.8490   2.587445 -0.000000 0.000000 
1 1 1   -4    0   20 o 170.6124 2.765732  333.8000 10.80000   333.8000 10.80000   333.8000 10.80000   170.6124 2.765732   170.6124   2.765732 0.000000 0.000000 
1 1 1   -4    0   21 o 12.64862 6.867486  2.600000 2.800000   2.600000 2.800000   2.600000 2.800000   12.64862 6.867486   12.64862   6.867486 0.000000 0.000000 
1 1 1   -4    0   22 o 93.16629 2.629372  99.80000 5.600000   99.80000 5.600000   99.80000 5.600000   93.16629 2.629372   93.16629   2.629372 -0.000000 0.000000 
1 1 1   -4    0   23 o 89.47228 2.199160  92.00000 4.500000   92.00000 4.500000   92.00000 4.500000   89.47228 2.199160   89.47228   2.199160 0.000000 0.000000 
1 1 1   -4    0   24 o 69.27356 2.847448  55.50000 4.500000   55.50000 4.500000   55.50000 4.500000   69.27356 2.847448   69.27356   2.847448 0.000000 0.000000 
1 1 1   -4    0   25 o 82.65041 2.328777  78.80000 4.400000   78.80000 4.400000   78.80000 4.400000   82.65041 2.328777   82.65041   2.328777 -0.000000 0.000000 
1 1 1   -4    0   26 o 103.5707 2.490705  124.0000 5.900000   124.0000 5.900000   124.0000 5.900000   103.5707 2.490705   103.5707   2.490705 0.000000 0.000000 
1 1 1   -4    0   27 o 56.12410 2.737924  36.90000 3.500000   36.90000 3.500000   36.90000 3.500000   56.12410 2.737924   56.12410   2.737924 0.000000 0.000000 
1 1 1   -4    0   28 o 21.12118 8.232628  7.800000 3.800000   7.800000 3.800000   7.800000 3.800000   21.12118 8.232628   21.12118   8.232628 0.000000 0.000000 
1 1 1   -4    2    1 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -4    2    2 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -4    2    3 o 314.2491 2.731690  1131.326 13.89838   1133.700 27.50000   1128.900 28.10000   314.5841 3.817118   313.9141   3.908726 0.6700745 5.463381 
1 1 1   -4    2    4 o 367.7490 3.266132  1549.316 19.44949   1546.200 39.10000   1552.400 38.70000   367.3800 4.647303   368.1180   4.590539 -0.7379456 6.532264 
1 1 1   -4    2    5 o 721.3082 8.263262  0.000000 0.000000          ?        ?   5963.700 136.5000          ?        ?   721.3082   8.263262       ?       ? 
1 1 1   -4    2    6 o 508.7340 4.346024  2966.004 35.78212   2944.300 70.00000   2988.700 73.20000   506.8397 6.030691   510.6283   6.259590 -3.788574 8.692048 
1 1 1   -4    2    7 o 438.3730 3.937704  2201.900 27.95000   2163.200 55.90000   2240.600 55.90000   434.5181 5.617507   442.2278   5.519572 -7.709717 7.875409 
1 1 1   -4    2    8 o 132.3148 1.563516  200.4791 3.349254   201.9000 6.800000   199.1000 6.600000   132.7765 2.236287   131.8530   2.185715 0.9234772 3.127032 
1 1 1   -4    2    9 o 315.2092 2.894773  1138.552 14.77293   1138.400 29.90000   1138.700 29.20000   315.1857 4.142327   315.2328   4.044745 -0.4714966E-01 5.789546 
1 1 1   -4    2   10 f 356.1915 3.142050  1453.291 18.10979   1416.100 35.20000   1492.700 37.30000   351.5061 4.372698   360.8770   4.513250 -9.370880 6.284100 
1 1 1   -4    2   11 o 602.0729 6.039545  4139.444 55.63550   4037.100 92.50000   4293.900 139.6000   593.1514 6.809510   610.9944   9.976722 -17.84308 12.07909 
1 1 1   -4    2   12 o 399.8396 4.961231  1833.579 32.11284   1777.100 63.00000   1892.300 65.50000   393.5646 6.989792   406.1146   7.042590 -12.55002 9.922462 
1 1 1   -4    2   13 o 90.28844 1.367993  94.74156 1.831169   99.30000 3.000000   87.60000 4.700000   93.12017 1.406751   87.45672   2.346629 5.663452 2.735985 
1 1 1   -4    2   14 o 162.5715 1.967768  301.5634 4.975610   295.8000 8.500000   309.7000 12.00000   160.7115 2.309467   164.4315   3.186662 -3.720001 3.935537 
1 1 1   -4    2   15 o 111.5739 1.737330  142.1800 3.080000   139.1000 5.500000   146.1000 7.000000   110.2071 2.179178   112.9406   2.706372 -2.733490 3.474661 
1 1 1   -4    2   16 o 326.2680 3.193276  1229.381 15.39064   1258.100 24.90000   1182.900 40.30000   331.3762 3.281087   321.1598   5.479280 10.21634 6.386552 
1 1 1   -4    2   17 o 252.6373 2.699146  736.7855 10.16168   754.2000 16.60000   709.3000 26.20000   256.5713 2.825139   248.7034   4.600016 7.867935 5.398292 
1 1 1   -4    2   18 o 324.3371 3.335294  1182.462 15.28471   1126.100 23.20000   1291.300 44.80000   313.4335 3.232081   335.2406   5.835272 -21.80707 6.670588 
1 1 1   -4    2   19 o 151.4424 1.992269  261.7602 4.509948   257.9000 7.300000   268.0000 11.80000   150.0260 2.124692   152.8587   3.370789 -2.832687 3.984537 
1 1 1   -4    2   20 o 113.6588 1.990099  151.4546 3.414185   164.7000 5.800000   132.5000 8.300000   119.8751 2.112705   107.4425   3.373197 12.43256 3.980199 
1 1 1   -4    2   21 o 164.8238 2.220336  313.7600 5.456087   319.1000 8.900000   305.3000 14.10000   166.7746 2.330235   162.8730   3.780155 3.901596 4.440672 
1 1 1   -4    2   22 o 65.62354 2.456716  49.66079 2.431372   49.70000 4.000000   49.60000 6.200000   65.74956 2.656482   65.49752   4.133391 0.2520370 4.913433 
1 1 1   -4    2   23 o 93.60026 2.033638  101.0383 2.836667   101.0000 4.600000   101.1000 7.400000   93.72776 2.143035   93.47276   3.456896 0.2550049 4.067276 
1 1 1   -4    2   24 o 23.16695 4.832270  6.467470 1.785542   7.000000 2.600000   5.300000 5.700000   23.93622 4.907816   22.39768   8.325664 1.538544 9.664540 
1 1 1   -4    2   25 o 12.07574 3.802244 -0.7118644 1.423729  -1.200000 2.400000   0.000000 3.500000   10.32141 4.683365   13.83006   5.991188 -3.508650 7.604488 
1 1 1   -4    2   26 o 44.32789 2.543197  23.10555 1.711111   21.90000 2.800000   25.00000 4.400000   43.19118 2.830758   45.46461   4.225897 -2.273430 5.086393 
1 1 1   -4    2   27 o 39.65831 3.817824  21.06941 1.910588   22.40000 2.900000   18.50000 5.600000   43.37599 2.919364   35.94062   7.055525 7.435371 7.635648 
1 1 1   -4    2   28 o 29.53956 4.199510  11.65128 1.794872   10.00000 2.800000   14.60000 5.000000   28.06026 4.357186   31.01887   7.180421 -2.958611 8.399019 
1 1 1   -4    4    1 o 612.5923 5.043591  4299.426 49.97221   4359.000 103.3000   4243.600 96.80000   616.6866 7.314346   608.4981   6.946336 8.188477 10.08718 
1 1 1   -4    4    2 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -4    4    3 o 222.1263 2.115167  565.3698 7.591776   556.9000 15.70000   573.3000 14.70000   220.5131 3.108887   223.7395   2.868894 -3.226334 4.230334 
1 1 1   -4    4    4 o 371.5010 3.420149  1581.185 20.57254   1587.200 41.60000   1575.300 40.70000   372.1980 4.880440   370.8040   4.792805 1.394043 6.840298 
1 1 1   -4    4    5 o 315.1009 2.802970  1137.606 14.29843   1147.600 28.30000   1127.400 28.90000   316.5021 3.904357   313.6996   4.022755 2.802490 5.605940 
1 1 1   -4    4    6 o 356.9052 3.210955  1458.639 18.50633   1433.900 35.30000   1485.900 38.90000   353.7383 4.357450   360.0721   4.717368 -6.333893 6.421910 
1 1 1   -4    4    7 o 373.8389 3.357210  1601.247 20.31144   1567.200 39.60000   1637.100 41.70000   369.7667 4.676350   377.9112   4.818213 -8.144440 6.714420 
1 1 1   -4    4    8 o 219.8457 2.052336  554.0384 7.298630   536.4000 14.80000   571.2000 14.40000   216.3885 2.986533   223.3029   2.815839 -6.914444 4.104671 
1 1 1   -4    4    9 o 363.4257 3.313481  1513.797 19.49680   1505.900 38.50000   1521.900 39.50000   362.4692 4.637985   364.3823   4.733469 -1.913116 6.626963 
1 1 1   -4    4   10 o 284.1069 3.281768  930.7165 14.46037   891.5000 34.30000   959.3000 25.00000   278.8579 5.370947   289.3560   3.772656 -10.49811 6.563536 
1 1 1   -4    4   11 f 216.4788 2.047421  536.9327 7.172822   532.1000 14.60000   541.6000 14.10000   215.5191 2.958060   217.4385   2.831538 -1.919434 4.094841 
1 1 1   -4    4   12 o 368.8775 3.289891  1557.778 19.60407   1603.800 41.20000   1516.000 37.40000   374.0571 4.809490   363.6980   4.490249 10.35913 6.579782 
1 1 1   -4    4   13 o 283.0158 2.691747  917.1304 12.28803   928.1000 26.00000   907.3000 23.30000   284.6120 3.988961   281.4196   3.615274 3.192413 5.383495 
1 1 1   -4    4   14 o 268.7264 2.425822  827.6616 10.54787   809.0000 21.40000   845.8000 20.80000   265.7347 3.516456   271.7181   3.342600 -5.983368 4.851643 
1 1 1   -4    4   15 o 191.3056 1.904619  418.8509 5.889407   429.9000 12.30000   408.7000 11.30000   193.7218 2.772466   188.8893   2.612226 4.832550 3.809238 
1 1 1   -4    4   16 o 239.3320 2.356783  654.5989 9.059178   680.8000 19.80000   632.5000 16.70000   243.7216 3.547406   234.9425   3.103806 8.779129 4.713566 
1 1 1   -4    4   17 o 114.3229 1.740676  149.1419 3.209302   162.3000 6.900000   137.7000 6.000000   119.0161 2.531530   109.6298   2.389805 9.386330 3.481353 
1 1 1   -4    4   18 o 34.62444 3.411886  14.53043 1.620290   16.00000 2.600000   12.10000 4.300000   37.35526 3.039214   31.89362   6.109587 5.461641 6.823772 
1 1 1   -4    4   19 o 30.37154 3.432935  10.68437 1.543750   3.900000 2.600000   20.60000 3.800000   18.39359 5.638145   42.34949   3.918097 -23.95589 6.865869 
1 1 1   -4    4   20 o 25.61704 4.253792  8.179487 1.887179   12.20000 3.200000   2.400000 4.600000   32.54337 4.293656   18.69071   7.344624 13.85266 8.507584 
1 1 1   -4    4   21 o 36.81938 2.657653  15.45645 1.446774   14.90000 2.300000   16.40000 3.900000   35.99822 2.789886   37.64054   4.524269 -1.642326 5.315306 
1 1 1   -4    4   22 o 93.81986 1.912151  102.1820 2.558558   104.2000 4.000000   98.60000 7.100000   95.26424 1.833453   92.37548   3.356150 2.888763 3.824303 
1 1 1   -4    4   23 o 130.0406 2.004197  194.1645 3.954819   188.8000 6.500000   202.5000 10.10000   128.0140 2.217153   132.0673   3.339380 -4.053314 4.008395 
1 1 1   -4    4   24 o 110.1676 1.803625  140.5425 3.088189   140.0000 5.300000   141.3000 7.400000   110.1237 2.101527   110.2116   2.931865 -0.8798218E-01 3.607249 
1 1 1   -4    4   25 o 19.31988 4.536987  4.482857 1.727143   5.900000 3.100000   2.700000 3.900000   21.43427 6.050607   17.20550   6.762187 4.228771 9.073975 
1 1 1   -4    4   26 o 17.07798 4.937110  2.460465 2.009302  0.6000000 3.200000   5.600000 5.400000   13.45046 5.777172   20.70550   8.007779 -7.255043 9.874221 
1 1 1   -4    4   27 o 23.74672 5.563977  8.705000 2.475000   8.300000 4.500000   9.200000 5.500000   23.44334 7.452654   24.05011   8.263735 -0.6067677 11.12795 
1 1 1   -4    6    1 o 292.5775 2.680504  980.8771 12.69980   975.1000 25.30000   986.7000 25.50000   291.7127 3.787084   293.4423   3.794523 -1.729584 5.361008 
1 1 1   -4    6    2 o 167.2475 1.837477  320.3975 4.971859   320.5000 10.20000   320.3000 9.700000   167.2722 2.662662   167.2227   2.532888 0.4945374E-01 3.674955 
1 1 1   -4    6    3 o 146.5980 1.621762  246.1221 3.849351   244.0000 7.600000   248.3000 7.800000   145.9581 2.273658   147.2379   2.313207 -1.279877 3.243524 
1 1 1   -4    6    4 o 126.9696 1.568248  184.4403 3.220155   178.0000 6.200000   191.4000 6.700000   124.6665 2.171609   129.2727   2.263121 -4.606186 3.136496 
1 1 1   -4    6    5 o 338.9919 2.991990  1316.473 16.41644   1340.100 33.60000   1293.900 32.10000   341.9613 4.290442   336.0225   4.171347 5.938782 5.983981 
1 1 1   -4    6    6 o 168.9343 2.457868  326.8022 6.646269   325.3000 12.20000   328.6000 14.60000   168.5152 3.161262   169.3535   3.764424 -0.8382874 4.915737 
1 1 1   -4    6    7 o 142.6967 2.141913  232.1636 4.909091   248.2000 10.80000   218.8000 9.000000   147.1890 3.203967   138.2043   2.843548 8.984711 4.283826 
1 1 1   -4    6    8 o 580.4752 4.900158  3865.786 46.03431   3850.000 93.80000   3881.000 90.40000   579.2893 7.070450   581.6611   6.786380 -2.371765 9.800317 
1 1 1   -4    6    9 o 375.7090 3.266449  1617.020 19.86113   1659.000 40.80000   1577.200 38.70000   380.4532 4.682724   370.9647   4.555312 9.488556 6.532899 
1 1 1   -4    6   10 o 504.0227 4.339384  2906.187 35.30346   3050.100 75.00000   2778.200 66.70000   515.7636 6.349657   492.2818   5.916321 23.48178 8.678767 
1 1 1   -4    6   11 o 680.2542 8.019332  5325.199 88.29955   5126.500 176.2000   5524.800 177.0000   667.4780 11.52680   693.0303   11.15221 -25.55231 16.03866 
1 1 1   -4    6   12 o 352.7572 3.177582  1425.374 18.12672   1453.600 37.60000   1399.100 35.00000   356.1185 4.610340   349.3958   4.374113 6.722656 6.355164 
1 1 1   -4    6   13 o 85.38087 1.447204  83.42500 1.995000   82.00000 3.800000   85.00000 4.200000   84.61472 1.960999   86.14703   2.128867 -1.532310 2.894407 
1 1 1   -4    6   14 o 344.1846 3.052324  1359.112 16.99632   1393.400 33.50000   1323.800 34.50000   348.6067 4.196128   339.7626   4.433873 8.844086 6.104648 
1 1 1   -4    6   15 o 104.2975 1.761797  124.5471 2.969748   127.1000 6.200000   122.2000 5.700000   105.3205 2.570505   103.2745   2.410023 2.045967 3.523593 
1 1 1   -4    6   16 o 324.8575 3.054109  1210.973 16.01012   1216.800 33.70000   1205.700 30.50000   325.5657 4.519922   324.1494   4.108605 1.416382 6.108218 
1 1 1   -4    6   17 o 162.9644 1.971982  303.8000 5.169231   315.0000 11.20000   294.2000 9.600000   165.7342 2.950840   160.1947   2.616754 5.539459 3.943964 
1 1 1   -4    6   18 o 77.02307 1.986158  68.12525 2.474747   70.60000 4.900000   65.60000 5.000000   78.44202 2.727640   75.60412   2.887781 2.837906 3.972316 
1 1 1   -4    6   19 o 29.24877 3.925576  10.56479 1.771831   14.30000 3.400000   6.500000 3.700000   35.19946 4.217768   23.29808   6.622011 11.90138 7.851152 
1 1 1   -4    6   20 o 22.12873 4.379106  5.545206 1.824658   9.600000 3.700000   1.600000 3.600000   28.13325 5.929710   16.12420   6.445527 12.00904 8.758212 
1 1 1   -4    6   21 o 162.7540 1.986357  305.8526 5.222010   318.2000 10.20000   292.9000 10.70000   166.1749 2.680245   159.3331   2.932361 6.841721 3.972714 
1 1 1   -4    6   22 o 27.55668 3.528096  9.571667 1.498333   4.400000 2.900000   15.10000 3.100000   19.13970 5.969155   35.97366   3.762848 -16.83397 7.056191 
1 1 1   -4    6   23 o 29.51562 3.965854  11.06338 1.673239   11.90000 2.700000   9.700000 4.400000   31.78631 3.709056   27.24494   7.011056 4.541368 7.931709 
1 1 1   -4    6   24 o 55.10851 2.298016  35.83671 1.835443   35.80000 2.900000   35.90000 5.000000   55.49117 2.281990   54.72584   3.989489 0.7653313 4.596031 
1 1 1   -4    6   25 o 27.38853 4.327847  10.56800 1.632000   11.40000 2.400000   8.800000 5.100000   30.76119 3.406809   24.01587   7.957052 6.745323 8.655693 
1 1 1   -4    6   26 o 42.58797 3.306768  20.71304 1.947826   15.60000 2.800000   32.40000 6.400000   35.86386 3.409108   49.31208   5.667171 -13.44823 6.613535 
1 1 1   -4    8    1 o 466.6881 4.049729  2497.083 30.59796   2525.400 60.70000   2468.300 61.70000   469.3637 5.647014   464.0125   5.806243 5.351257 8.099459 
1 1 1   -4    8    2 o 347.0272 3.007112  1379.380 16.89275   1412.400 34.50000   1347.700 33.10000   351.0932 4.290781   342.9613   4.214272 8.131866 6.014224 
1 1 1   -4    8    3 o 209.0382 2.127752  499.6719 7.171875   516.3000 15.30000   485.0000 13.50000   212.3029 3.146844   205.7735   2.864732 6.529404 4.255505 
1 1 1   -4    8    4 o 336.9300 3.010516  1300.821 16.42405   1298.000 33.10000   1303.600 32.60000   336.5653 4.294358   337.2946   4.220345 -0.7292786 6.021031 
1 1 1   -4    8    5 o 158.7928 1.749944  288.2889 4.486111   299.9000 9.500000   277.9000 8.500000   161.8157 2.563556   155.7700   2.382730 6.045700 3.499889 
1 1 1   -4    8    6 o 267.6098 2.544125  820.1857 11.01814   833.1000 22.60000   807.9000 21.50000   269.6624 3.659550   265.5573   3.535249 4.105103 5.088251 
1 1 1   -4    8    7 o 187.3296 1.911511  401.0172 5.778879   421.8000 12.30000   382.6000 10.90000   191.8946 2.798866   182.7646   2.604198 9.130005 3.823022 
1 1 1   -4    8    8 o 524.6706 4.349189  3156.749 36.91421   3103.800 71.60000   3213.100 76.20000   520.1539 6.010643   529.1873   6.287605 -9.033447 8.698379 
1 1 1   -4    8    9 o 180.3073 2.054976  372.4500 6.000000   369.0000 12.00000   375.9000 12.00000   179.4718 2.919610   181.1428   2.892677 -1.670990 4.109951 
1 1 1   -4    8   10 f 238.1319 2.392219  649.7626 9.223307   643.4000 18.20000   656.3000 18.70000   236.9517 3.353909   239.3121   3.412059 -2.360428 4.784439 
1 1 1   -4    8   11 o 132.6532 1.594784  201.5978 3.424818   208.8000 6.900000   194.5000 6.800000   135.0063 2.231694   130.3000   2.278789 4.706284 3.189567 
1 1 1   -4    8   12 o 221.0083 2.291478  559.6744 8.192378   552.5000 15.90000   567.3000 16.90000   219.5532 3.162257   222.4635   3.317169 -2.910309 4.582955 
1 1 1   -4    8   13 f 67.58715 1.693606  51.94054 1.816216   49.00000 3.200000   55.80000 4.200000   65.39709 2.136640   69.77721   2.628303 -4.380127 3.387212 
1 1 1   -4    8   14 o 60.32719 2.305138  41.76889 2.248889   42.60000 4.400000   40.90000 4.600000   60.94477 3.152506   59.70963   3.363978 1.235142 4.610276 
1 1 1   -4    8   15 o 186.6824 2.050968  399.8500 6.200000   403.8000 12.40000   395.9000 12.40000   187.6063 2.886117   185.7585   2.914826 1.847839 4.101936 
1 1 1   -4    8   16 o 131.0978 1.831684  197.7548 3.870968   208.4000 7.500000   186.4000 8.000000   134.7713 2.429985   127.4244   2.741430 7.346893 3.663368 
1 1 1   -4    8   17 o 83.13210 1.883166  79.61584 2.518812   82.80000 4.800000   76.10000 5.300000   84.90618 2.468549   81.35800   2.844561 3.548180 3.766333 
1 1 1   -4    8   18 o 51.69896 2.100942  30.88000 1.744286   29.40000 3.700000   32.20000 3.300000   50.49933 3.199306   52.89858   2.724016 -2.399254 4.201883 
1 1 1   -4    8   19 o 16.99374 4.380331  2.025352 1.766197  -1.400000 3.800000   5.000000 3.300000   13.47633 6.022038   20.51114   6.362723 -7.034810 8.760661 
1 1 1   -4    8   20 o 18.02423 3.937819  2.603030 1.643939  -2.700000 3.500000   7.300000 3.100000   11.77758 5.457504   24.27089   5.678146 -12.49331 7.875639 
1 1 1   -4    8   21 o 36.61958 2.319357  15.61818 1.363636   16.60000 3.000000   14.80000 2.500000   37.62109 3.482006   35.61807   3.064851 2.003021 4.638715 
1 1 1   -4    8   22 o 14.73590 4.333154  1.125000 1.663235   2.100000 3.900000  0.4000000 2.900000   16.46436 6.663621   13.00745   5.540853 3.456902 8.666307 
1 1 1   -4    8   23 o 38.38274 2.533675  17.66667 1.571429   17.00000 3.000000   18.40000 3.300000   37.67555 3.476973   39.08992   3.686285 -1.414371 5.067350 
1 1 1   -4    8   24 o 20.32298 4.648030  5.428000 1.858667   2.300000 3.400000   9.200000 4.100000   15.43001 6.229931   25.21595   6.899616 -9.785947 9.296061 
1 1 1   -4   10    1 o 18.77977 4.436403  1.732912 1.967089  -3.700000 3.700000   7.900000 4.200000   11.78245 5.510383   25.77708   6.954306 -13.99463 8.872807 
1 1 1   -4   10    2 o 182.5503 2.080532  381.4390 6.135365   393.5000 12.90000   370.5000 11.70000   185.2935 3.039969   179.8071   2.841310 5.486420 4.161064 
1 1 1   -4   10    3 o 154.8000 1.934699  274.4835 4.847938   285.2000 9.900000   264.2000 9.500000   157.7594 2.740183   151.8406   2.731966 5.918808 3.869398 
1 1 1   -4   10    4 o 75.68847 1.713854  65.65000 2.100000   63.80000 4.200000   67.50000 4.200000   74.62119 2.457689   76.75575   2.389340 -2.134567 3.427708 
1 1 1   -4   10    5 o 25.61054 4.423046  7.656250 1.998750   11.80000 3.900000   3.300000 4.100000   32.05745 5.312211   19.16363   7.073455 12.89382 8.846092 
1 1 1   -4   10    6 o 222.0758 2.349581  565.1195 8.447337   581.2000 17.20000   549.6000 16.60000   225.1785 3.335349   218.9731   3.310222 6.205383 4.699162 
1 1 1   -4   10    7 o 170.4751 1.975415  333.2000 5.450000   319.7000 10.90000   346.7000 10.90000   167.0172 2.849738   173.9330   2.736429 -6.915817 3.950829 
1 1 1   -4   10    8 o 66.66714 1.930518  51.11566 2.072289   47.80000 4.300000   54.20000 4.000000   64.56850 2.907954   68.76577   2.539963 -4.197266 3.861037 
1 1 1   -4   10    9 o 164.6726 1.847093  310.8614 4.924873   303.3000 9.800000   318.5000 9.900000   162.6582 2.630811   166.6869   2.593423 -4.028671 3.694186 
1 1 1   -4   10   10 o 182.4583 2.081255  381.6805 6.146341   370.9000 12.00000   393.0000 12.60000   179.8216 2.913931   185.0949   2.972458 -5.273376 4.162511 
1 1 1   -4   10   11 o 165.7034 1.872474  314.8124 5.021891   305.5000 9.800000   324.6000 10.30000   163.1943 2.622169   168.2125   2.673736 -5.018234 3.744948 
1 1 1   -4   10   12 o 129.9263 1.950192  193.8183 4.094512   194.3000 7.900000   193.3000 8.500000   130.1067 2.651351   129.7459   2.860652 0.3607941 3.900384 
1 1 1   -4   10   13 o 43.17152 2.323163  21.32308 1.615385   24.50000 3.500000   18.60000 3.000000   46.13863 3.312402   40.20442   3.258271 5.934208 4.646325 
1 1 1   -4   10   14 o 44.22145 2.526364  22.65000 1.798611   20.80000 3.700000   24.40000 3.500000   42.43468 3.807330   46.00821   3.321792 -3.573528 5.052728 
1 1 1   -4   10   15 o 12.77000 3.494952 -0.6461539 1.298077  -4.800000 2.700000   3.200000 2.500000   8.669612 4.222799   16.87038   5.570163 -8.200768 6.989903 
1 1 1   -4   10   16 o 34.72454 2.913310  13.44545 1.575758   9.900000 2.600000   18.90000 4.000000   29.18942 3.889444   40.25965   4.338400 -11.07023 5.826619 
1 1 1   -4   10   17 o 18.18421 4.359795  3.725806 1.548387   4.500000 3.000000   2.900000 3.200000   19.36267 6.076521   17.00575   6.253570 2.356918 8.719590 
1 1 1   -4   10   18 o 37.14651 2.487854  15.95000 1.473333   14.00000 2.600000   18.50000 3.400000   34.61758 3.279566   39.67545   3.741940 -5.057865 4.975708 
1 1 1   -4   10   19 o 54.21718 2.002609  33.83189 1.620290   32.40000 2.600000   36.20000 4.300000   52.91948 2.145347   55.51487   3.382196 -2.595394 4.005217 
1 1 1   -4   10   20 o 31.16619 3.280155  12.29524 1.571429   14.20000 3.000000   10.20000 3.300000   34.28796 3.820493   28.04443   5.333058 6.243528 6.560310 
1 1 1   -4   10   21 o 26.42113 4.333826  9.712329 1.808219   9.000000 4.000000   10.30000 3.300000   24.97862 6.806788   27.86363   5.366175 -2.885002 8.667652 
1 1 1   -4   10   22 o 14.69654 4.373542  1.421127 1.732394   3.500000 4.100000 -0.1000000 3.000000   17.21172 6.879177   12.18137   5.402630 5.030349 8.747084 
1 1 1   -4   12    1 o 69.34267 2.217649  55.46263 2.462626   57.60000 4.600000   53.00000 5.300000   70.81013 2.836626   67.87521   3.409607 2.934921 4.435298 
1 1 1   -4   12    2 o 10.43658 3.579590 -5.875676 1.816216  -5.400000 3.200000  -6.500000 4.200000   9.610535 4.661818   11.26262   5.433352 -1.652087 7.159181 
1 1 1   -4   12    3 o 38.13169 2.797618  16.81765 1.694118   12.30000 3.200000   21.90000 3.600000   32.64935 4.279717   43.61403   3.604259 -10.96468 5.595235 
1 1 1   -4   12    4 o 124.0385 1.918909  176.8104 3.844156   175.2000 8.000000   178.3000 7.400000   123.4772 2.829065   124.5998   2.593307 -1.122627 3.837819 
1 1 1   -4   12    5 o 20.72976 4.561984  4.737143 1.727143   2.700000 3.100000   7.300000 3.900000   16.86241 6.161994   24.59712   6.728790 -7.734703 9.123967 
1 1 1   -4   12    6 o 72.67646 2.019224  60.59158 2.362105   58.60000 4.400000   62.90000 5.100000   71.40677 2.690624   73.94615   3.011579 -2.539383 4.038449 
1 1 1   -4   12    7 o 28.83178 4.479571  10.87356 2.091954   15.50000 3.500000   4.000000 5.200000   36.61037 4.174491   21.05318   7.927158 15.55720 8.959142 
1 1 1   -4   12    8 o 56.09869 1.873753  36.18235 1.694118   35.90000 3.200000   36.50000 3.600000   55.88011 2.500532   56.31728   2.791261 -0.4371719 3.747506 
1 1 1   -4   12    9 o 19.88795 4.653741  3.467106 1.793421  0.3000000 2.900000   8.600000 4.700000   13.27776 5.592837   26.49813   7.439717 -13.22037 9.307482 
1 1 1   -4   12   10 o 32.61735 3.110668  12.87541 1.524590   17.50000 3.100000   8.400000 3.000000   38.88608 3.481025   26.34861   5.156306 12.53747 6.221337 
1 1 1   -4   12   11 o 77.63136 1.767133  69.47045 2.159091   69.30000 5.000000   69.60000 3.800000   77.48058 2.817843   77.78213   2.133258 -0.3015442 3.534265 
1 1 1   -4   12   12 o 61.49744 1.932606  43.68182 1.922078   45.50000 4.000000   42.00000 3.700000   62.71640 2.784957   60.27848   2.680274 2.437927 3.865211 
1 1 1   -4   12   13 f 26.82669 4.733603  9.150000 2.100000   11.90000 4.200000   6.400000 4.200000   30.89992 6.151402   22.75347   7.196404 8.146454 9.467206 
1 1 1   -4   12   14 o 17.93265 4.049615  2.229412 1.694118  -2.900000 3.200000   8.000000 3.600000   10.87367 5.097810   24.99163   6.293636 -14.11796 8.099230 
1 1 1   -4   12   15 o 18.08894 4.547945  3.586567 1.591045   2.500000 2.600000   5.300000 4.100000   15.41694 5.641786   20.76095   7.134808 -5.344016 9.095891 
1 1 1   -4   12   16 o 16.59582 3.777648  1.750000 1.550000  -3.600000 3.100000   7.100000 3.100000   10.01930 4.789931   23.17234   5.842864 -13.15305 7.555295 
1 1 1   -4   12   17 o 17.89944 4.568910  2.505333 1.698667  -1.100000 2.600000   9.300000 4.900000   10.65000 4.848671   25.14889   7.745331 -14.49889 9.137820 
1 1 1   -4   12   18 o 16.66243 4.228797  2.088060 1.611940  -1.700000 2.700000   7.700000 4.000000   10.28935 4.776887   23.03551   6.979417 -12.74617 8.457595 
1 1 1   -4   12   19 o 16.94150 4.609888  3.680555 1.794444   4.200000 3.400000   3.100000 3.800000   17.53142 6.446159   16.35158   6.591759 1.179844 9.219775 
1 1 1   -4   14    1 o 16.70881 4.347306  2.017647 1.686765 -0.9000000 3.100000   5.500000 3.700000   12.27627 5.465834   21.14134   6.761726 -8.865069 8.694613 
1 1 1   -4   14    2 o 13.20401 4.044319 -0.4090909 1.636364   1.000000 3.000000  -2.100000 3.600000   14.06843 5.787053   12.33959   5.651201 1.728846 8.088637 
1 1 1   -4   14    3 o 16.98810 4.677660  2.050000 1.950000   4.400000 3.900000 -0.3000000 3.900000   19.62515 6.943986   14.35106   6.269214 5.274088 9.355319 
1 1 1   -4   14    4 o 27.24151 4.069742  9.181429 1.727143   7.100000 3.100000   11.80000 3.900000   23.73258 5.761582   30.75043   5.749380 -7.017853 8.139483 
1 1 1   -4   14    5 o 23.06611 4.275535  6.271831 1.732394   2.300000 3.000000   11.70000 4.100000   15.70855 5.995690   30.42367   6.096924 -14.71512 8.551069 
1 1 1   -4   14    6 o 24.76955 4.539073  8.028571 1.916883   10.60000 3.600000   5.100000 4.100000   29.02337 5.619255   20.51573   7.129986 8.507637 9.078145 
1 1 1   -4   14    7 o 19.60263 4.811921  3.802381 2.098809   8.000000 4.300000 -0.2000000 4.100000   24.59684 7.184205   14.60841   6.403558 9.988432 9.623842 
1 1 1   -4   14    8 o 19.36005 4.217799  4.073913 1.721739   7.900000 3.300000 -0.1000000 3.600000   24.85556 5.887890   13.86453   6.040865 10.99103 8.435597 
1 1 1   -4   14    9 o 17.52274 4.123855  2.997015 1.644776   6.200000 2.900000  -1.200000 3.800000   21.88341 5.721940   13.16206   5.940044 8.721352 8.247709 
1 1 1   -4   14   10 o 16.26382 4.497276  2.108219 1.816438 -0.5000000 3.400000   5.100000 3.900000   12.81164 5.712718   19.71601   6.947433 -6.904364 8.994553 
1 1 1   -4   14   11 o 28.05411 3.935966  10.29855 1.724638   10.20000 3.400000   10.40000 3.500000   27.95004 5.507603   28.15818   5.624378 -0.2081451 7.871932 
1 1 1   -4   14   12 o 20.97915 4.395187  6.090909 1.648485   4.200000 3.200000   8.100000 3.400000   17.83083 6.292059   24.12746   6.138458 -6.296638 8.790375 
1 1 1   -4   14   13 o 15.63466 4.165283  1.077778 1.794444   5.800000 3.400000  -4.200000 3.800000   20.36426 6.478498   10.90506   5.237117 9.459206 8.330565 
1 1 1   -4   14   14 o 15.48531 4.657177  1.822500 1.848750  0.3000000 2.900000   4.500000 5.100000   12.34556 5.399236   18.62506   7.589825 -6.279500 9.314354 
1 1 1   -4   16    1 o 15.06763 4.336674  2.163636 1.553030  0.8000000 2.500000   4.400000 4.100000   12.16498 5.162122   17.97029   6.969896 -5.805312 8.673347 
1 1 1   -4   16    2 o 32.10165 3.721270  10.46667 2.491667  -6.000000 3.900000   39.60000 6.900000   10.07059 4.940957   54.13270   5.565819 -44.06211 7.442540 
1 1 1   -4   16    3 o 20.60879 5.716171  6.355752 2.761062   3.000000 4.800000   10.90000 6.500000   16.84203 7.150163   24.37555   8.920404 -7.533525 11.43234 
1 1 1   -4   16    4 o 24.21009 5.079691  9.319355 2.322581   12.90000 4.500000   5.500000 4.800000   29.25027 6.839928   19.16991   7.511886 10.08036 10.15938 
1 1 1   -3    1    1 o 214.3247 2.362566  520.8981 7.662539   552.1000 19.80000   501.2000 12.50000   219.4783 3.939248   209.1711   2.609445 10.30717 4.725132 
1 1 1   -3    1    2 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -3    1    3 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -3    1    4 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -3    1    5 o 498.9462 4.236096  2852.650 34.21169   2827.800 67.10000   2878.500 69.80000   496.7363 5.898428   501.1562   6.081659 -4.419891 8.472192 
1 1 1   -3    1    6 o 607.1605 5.032498  4224.142 49.45377   4249.200 101.0000   4200.100 96.90000   608.9159 7.242754   605.4050   6.989039 3.510864 10.06500 
1 1 1   -3    1    7 o 104.2215 1.508955  124.0881 2.469307   122.3000 4.300000   126.5000 5.800000   103.3432 1.816880   105.0998   2.409716 -1.756554 3.017911 
1 1 1   -3    1    8 o 608.4416 5.858950  4229.458 51.32865   4187.900 80.10000   4303.600 142.9000   604.5344 5.785637   612.3488   10.18997 -7.814331 11.71790 
1 1 1   -3    1    9 o 664.5817 6.341071  5055.719 60.83125   5012.000 95.20000   5133.100 168.5000   661.1124 6.287838   668.0508   11.01362 -6.938416 12.68214 
1 1 1   -3    1   10 o 692.2473 6.533004  5509.518 66.00571   5510.700 104.7000   5507.500 178.6000   693.0220 6.596892   691.4725   11.27837 1.549438 13.06601 
1 1 1   -3    1   11 o 441.5674 4.612841  2232.154 31.53425   2207.700 53.60000   2267.100 76.60000   438.7878 5.333963   444.3471   7.527419 -5.559387 9.225681 
1 1 1   -3    1   12 o 349.7623 4.189747  1402.754 23.71106   1406.800 48.60000   1398.900 46.30000   350.2430 6.059077   349.2816   5.788220 0.9614868 8.379494 
1 1 1   -3    1   13 o 343.3713 3.026631  1351.331 16.82199   1364.700 33.20000   1337.600 34.10000   345.0979 4.200833   341.6446   4.358324 3.453308 6.053262 
1 1 1   -3    1   14 o 486.3482 4.028098  2711.110 31.72057   2661.800 62.70000   2761.600 64.20000   481.8744 5.681636   490.8220   5.711507 -8.947601 8.056196 
1 1 1   -3    1   15 o 239.8572 2.201194  658.9266 8.548830   669.6000 17.30000   648.5000 16.90000   241.7768 3.124433   237.9376   3.101440 3.839203 4.402387 
1 1 1   -3    1   16 o 205.5734 1.979729  484.6270 6.558936   474.5000 13.80000   493.8000 12.50000   203.5197 2.960823   207.6272   2.628848 -4.107544 3.959459 
1 1 1   -3    1   17 o 180.9967 1.859505  375.2670 5.449542   366.3000 10.80000   384.4000 11.00000   178.8141 2.637312   183.1792   2.622141 -4.365097 3.719011 
1 1 1   -3    1   18 o 216.6129 2.123952  537.5826 7.444631   545.9000 15.30000   529.7000 14.50000   218.2404 3.061230   214.9854   2.945091 3.255020 4.247905 
1 1 1   -3    1   19 o 164.3894 1.780016  310.0730 4.708994   315.3000 8.900000   304.2000 10.00000   165.8724 2.342910   162.9065   2.680411 2.965881 3.560032 
1 1 1   -3    1   20 o 28.54411 4.129220  9.583783 1.816216   8.200000 3.200000   11.40000 4.200000   26.19180 5.509476   30.89643   6.152034 -4.704632 8.258441 
1 1 1   -3    1   21 o 48.57390 2.162226  27.08676 1.698529   29.30000 3.500000   25.00000 3.300000   50.50187 3.026219   46.64594   3.089156 3.855934 4.324452 
1 1 1   -3    1   22 o 27.53344 4.266027  9.159459 1.837838   9.700000 4.000000   8.700000 3.400000   28.24368 6.339655   26.82321   5.710053 1.420469 8.532054 
1 1 1   -3    1   23 o 101.7524 1.685641  119.1342 2.769369   118.8000 5.300000   119.5000 5.800000   101.6252 2.277268   101.8797   2.485879 -0.2545013 3.371283 
1 1 1   -3    1   24 o 63.85782 1.816656  47.14400 1.874667   51.40000 3.800000   43.00000 3.700000   66.72224 2.486868   60.99340   2.648857 5.728844 3.633312 
1 1 1   -3    1   25 o 25.64255 4.468001  8.429729 1.844595   9.800000 3.900000   7.200000 3.500000   27.62703 6.303375   23.65807   6.334004 3.968964 8.936003 
1 1 1   -3    1   26 o 28.90682 4.396600  10.93291 1.744304   10.90000 2.600000   11.00000 5.300000   30.14857 3.765706   27.66507   7.946057 2.483498 8.793200 
1 1 1   -3    1   27 o 35.59426 4.462698  17.72043 2.156989   19.00000 3.400000   15.50000 5.900000   39.45851 3.762513   31.73001   8.093591 7.728506 8.925397 
1 1 1   -3    1   28 o 21.47368 4.507969  6.729578 1.619718   6.800000 2.500000   6.600000 4.600000   22.42474 4.995947   20.52263   7.505175 1.902103 9.015938 
1 1 1   -3    3    1 o 577.3484 6.717417  3821.496 62.76174   3775.900 122.5000   3869.400 128.7000   573.8337 9.321585   580.8630   9.674856 -7.029358 13.43483 
1 1 1   -3    3    2 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -3    3    3 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -3    3    4 o 451.6695 3.821527  2337.180 27.93712   2361.900 57.10000   2313.500 54.70000   454.0022 5.491839   449.3368   5.315634 4.665436 7.643054 
1 1 1   -3    3    5 o 219.0766 2.085830  549.5892 7.398649   557.9000 15.00000   541.5000 14.60000   220.7104 2.967619   217.4427   2.931890 3.267731 4.171659 
1 1 1   -3    3    6 o 482.7867 4.182610  2670.547 32.69725   2621.600 64.80000   2720.400 66.00000   478.3218 5.915542   487.2517   5.914666 -8.929901 8.365220 
1 1 1   -3    3    7 o 134.9490 1.429790  207.9152 3.108800   219.6000 6.700000   197.8000 5.800000   138.4747 2.112731   131.4233   1.927060 7.051346 2.859579 
1 1 1   -3    3    8 o 280.1285 2.679979  899.2983 12.13992   894.0000 25.00000   904.3000 23.60000   279.3204 3.908202   280.9365   3.668120 -1.616089 5.359958 
1 1 1   -3    3    9 o 370.9593 3.368097  1577.297 20.20569   1582.400 41.70000   1572.500 39.20000   371.5295 4.900975   370.3890   4.621337 1.140442 6.736194 
1 1 1   -3    3   10 o 498.9811 4.188984  2853.987 33.82046   2922.400 69.70000   2789.500 65.70000   504.7726 6.029436   493.1897   5.816894 11.58295 8.377968 
1 1 1   -3    3   11 f 295.8679 5.283538  0.000000 0.000000          ?        ?   1003.500 35.80000          ?        ?   295.8679   5.283538       ?       ? 
1 1 1   -3    3   12 o 347.7523 3.077620  1385.132 17.29466   1366.400 33.20000   1405.500 36.10000   345.3094 4.198260   350.1952   4.501287 -4.885803 6.155240 
1 1 1   -3    3   13 o 180.1495 1.833915  371.6794 5.349533   379.3000 10.80000   364.2000 10.60000   181.9791 2.591445   178.3199   2.595648 3.659164 3.667830 
1 1 1   -3    3   14 o 137.4850 1.753704  216.9364 3.756493   219.3000 6.500000   213.7000 8.900000   138.3790 2.051081   136.5909   2.845167 1.788086 3.507408 
1 1 1   -3    3   15 o 289.8875 2.847059  976.1647 12.55838   1031.200 21.30000   897.1000 30.60000   300.0249 3.100002   279.7501   4.776292 20.27478 5.694118 
1 1 1   -3    3   16 o 167.9738 2.193662  325.3366 5.150661   330.0000 7.900000   316.6000 14.80000   169.7418 2.032254   166.2058   3.888259 3.535980 4.387325 
1 1 1   -3    3   17 o 128.2745 1.752161  189.1188 3.543750   193.1000 6.300000   184.0000 8.100000   129.8325 2.118833   126.7165   2.791203 3.115997 3.504322 
1 1 1   -3    3   18 o 124.3143 1.843541  176.1586 3.413793   173.2000 5.500000   181.0000 9.000000   122.9637 1.953105   125.6649   3.127291 -2.701225 3.687081 
1 1 1   -3    3   19 o 69.51026 1.885353  55.71707 1.928049   56.70000 3.100000   54.10000 5.100000   70.34604 1.924251   68.67448   3.242758 1.671555 3.770705 
1 1 1   -3    3   20 o 153.5514 1.909912  272.3800 4.440000   279.5000 7.400000   261.7000 11.10000   156.1413 2.069444   150.9614   3.210677 5.179825 3.819823 
1 1 1   -3    3   21 o 95.12830 2.085729  105.7667 2.666667   109.1000 4.000000   99.10000 8.000000   97.53689 1.790733   92.71972   3.767538 4.817169 4.171458 
1 1 1   -3    3   22 o 98.69609 1.841465  110.7248 2.522124   107.9000 3.800000   116.3000 7.500000   96.97561 1.711043   100.4166   3.261336 -3.440971 3.682931 
1 1 1   -3    3   23 o 114.9679 1.859768  151.9460 3.328467   149.2000 5.700000   155.8000 8.000000   113.8553 2.186055   116.0804   3.009337 -2.225060 3.719535 
1 1 1   -3    3   24 o 30.42749 3.534699  11.38485 1.648485   7.700000 3.200000   15.30000 3.400000   24.80437 5.746035   36.05061   4.118187 -11.24624 7.069397 
1 1 1   -3    3   25 o 25.77901 3.836610  8.677778 1.555556   11.30000 2.800000   5.400000 3.500000   30.87298 3.960219   20.68505   6.572287 10.18793 7.673219 
1 1 1   -3    3   26 o 17.57906 4.411502  3.752308 1.606154   4.600000 2.900000   2.700000 3.600000   18.74360 5.985356   16.41453   6.482355 2.329067 8.823005 
1 1 1   -3    3   27 o 54.83432 2.224079  35.94937 1.972152   33.40000 3.800000   38.70000 4.100000   52.81911 3.141465   56.84953   3.149174 -4.030418 4.448157 
1 1 1   -3    5    1 o 280.2736 2.495921  900.1113 11.32450   883.2000 22.80000   916.8000 22.50000   277.6553 3.585655   282.8919   3.472975 -5.236572 4.991842 
1 1 1   -3    5    2 o 257.0496 2.324374  756.8370 9.671835   750.7000 19.00000   763.2000 19.70000   255.9900 3.240935   258.1092   3.332748 -2.119232 4.648749 
1 1 1   -3    5    3 o 286.0455 2.574569  937.2671 11.91866   947.6000 24.40000   927.4000 23.30000   287.5834 3.704808   284.5077   3.576034 3.075714 5.149138 
1 1 1   -3    5    4 o 308.8416 2.753994  1091.339 13.74192   1134.400 28.90000   1052.300 26.20000   314.6348 4.010798   303.0483   3.775106 11.58652 5.507987 
1 1 1   -3    5    5 o 73.21410 1.161822  61.23636 1.363636   59.60000 2.500000   63.20000 3.000000   72.14140 1.513196   74.28680   1.763394 -2.145393 2.323644 
1 1 1   -3    5    6 o 152.9998 1.664896  267.9849 4.121212   273.6000 8.500000   262.7000 8.000000   154.5539 2.401478   151.4457   2.306602 3.108231 3.329791 
1 1 1   -3    5    7 o 487.0369 4.134065  2720.066 32.58274   2734.900 66.70000   2705.900 63.70000   488.3194 5.964328   485.7543   5.726147 2.565094 8.268130 
1 1 1   -3    5    8 o 17.73741 2.918530  3.763636 0.8242424   3.300000 1.700000   4.200000 1.600000   16.67136 4.391510   18.80346   3.845246 -2.132095 5.837061 
1 1 1   -3    5    9 o 276.7911 3.215157  867.9830 13.30883   834.9000 21.40000   922.4000 35.20000   269.9504 3.461542   283.6318   5.419103 -13.68146 6.430315 
1 1 1   -3    5   10 o 424.0622 3.640578  2061.150 25.00000   2072.700 50.00000   2049.600 50.00000   425.2515 5.134095   422.8729   5.162973 2.378601 7.281155 
1 1 1   -3    5   11 o 106.7073 1.345953  130.3742 2.322581   129.6000 4.500000   131.2000 4.800000   106.3803 1.847102   107.0342   1.958206 -0.6538620 2.691905 
1 1 1   -3    5   12 o 360.1940 3.210258  1486.586 18.72096   1501.400 38.00000   1472.200 36.90000   361.9598 4.584194   358.4282   4.495354 3.531616 6.420517 
1 1 1   -3    5   13 o 610.9598 5.028399  4283.166 49.74015   4332.500 100.9000   4235.200 98.10000   614.4178 7.170791   607.5020   7.051167 6.915833 10.05680 
1 1 1   -3    5   14 o 405.8177 3.565456  1888.692 23.42049   1905.900 46.20000   1871.000 47.50000   407.7032 4.948090   403.9323   5.134814 3.770844 7.130912 
1 1 1   -3    5   15 o 611.2399 4.966394  4293.931 49.12965   4302.400 100.3000   4285.800 96.30000   611.7864 7.158810   610.6934   6.885616 1.093018 9.932788 
1 1 1   -3    5   16 o 91.90549 1.680226  96.74100 2.499000   102.3000 5.100000   91.40000 4.900000   94.49384 2.356711   89.31713   2.395527 5.176704 3.360452 
1 1 1   -3    5   17 o 221.9875 2.171340  565.1510 7.791987   568.2000 15.10000   561.9000 16.10000   222.6169 2.961819   221.3582   3.175924 1.258759 4.342680 
1 1 1   -3    5   18 o 136.4173 1.851513  213.6767 4.056442   209.3000 8.700000   217.5000 7.600000   135.0926 2.812079   137.7420   2.409278 -2.649414 3.703027 
1 1 1   -3    5   19 o 127.0088 1.756512  184.5556 3.555556   180.2000 6.400000   190.0000 8.000000   125.3510 2.229420   128.6666   2.714963 -3.315598 3.513024 
1 1 1   -3    5   20 o 101.3323 1.751217  118.2947 2.745133   120.0000 4.700000   115.9000 6.600000   102.2667 2.006796   100.3980   2.870507 1.868744 3.502434 
1 1 1   -3    5   21 o 34.23137 4.062391  14.92949 1.698718   16.50000 2.500000   11.60000 5.300000   37.84703 2.884350   30.61570   7.595564 7.231333 8.124782 
1 1 1   -3    5   22 f 19.08562 4.030801  3.741379 1.365517   1.200000 2.200000   7.900000 3.600000   12.93454 5.080371   25.23671   6.259333 -12.30217 8.061602 
1 1 1   -3    5   23 o 26.82268 4.670897  8.929629 1.888889   8.300000 3.000000   10.00000 5.100000   25.91882 5.234385   27.72654   7.737591 -1.807726 9.341793 
1 1 1   -3    5   24 o 43.13712 2.905073  21.82375 1.898750   20.70000 3.100000   23.60000 4.900000   42.02853 3.220751   44.24571   4.835759 -2.217182 5.810146 
1 1 1   -3    5   25 o 26.50047 3.854322  9.028126 1.560938   8.100000 2.700000   10.30000 3.700000   25.19038 4.856301   27.81057   5.986612 -2.620188 7.708643 
1 1 1   -3    5   26 o 23.94633 4.313168  8.380723 1.746988   10.70000 2.500000   3.000000 5.800000   29.66466 3.679936   18.22800   7.802033 11.43666 8.626335 
1 1 1   -3    7    1 o 118.0248 2.132239  159.5258 4.073620   166.4000 8.300000   152.9000 8.000000   120.5211 3.007146   115.5285   3.023712 4.992630 4.264477 
1 1 1   -3    7    2 o 338.2925 3.574555  1315.995 19.00065   1339.800 33.50000   1284.800 43.90000   341.9006 4.278431   334.6844   5.727548 7.216217 7.149110 
1 1 1   -3    7    3 o 163.6619 1.792274  306.6732 4.747895   320.1000 9.700000   293.8000 9.300000   167.1692 2.533700   160.1545   2.535616 7.014664 3.584548 
1 1 1   -3    7    4 o 342.1633 3.059049  1341.589 16.94867   1354.200 34.20000   1329.200 33.60000   343.7560 4.344257   340.5705   4.307963 3.185547 6.118097 
1 1 1   -3    7    5 f 219.7668 2.142580  552.8311 7.615082   566.3000 15.80000   540.3000 14.70000   222.3471 3.102883   217.1865   2.955455 5.160599 4.285160 
1 1 1   -3    7    6 o 68.30956 1.288163  53.42281 1.424561   51.90000 2.800000   55.00000 2.900000   67.31893 1.816187   69.30019   1.827272 -1.981262 2.576327 
1 1 1   -3    7    7 o 150.5615 1.548043  259.0378 3.761589   247.8000 7.100000   271.7000 8.000000   147.0972 2.107627   154.0258   2.267964 -6.928665 3.096087 
1 1 1   -3    7    8 o 283.4523 2.625134  920.2377 12.04481   935.6000 24.60000   905.5000 23.60000   285.7677 3.758908   281.1370   3.665504 4.630707 5.250268 
1 1 1   -3    7    9 o 372.9880 3.319636  1593.760 20.03491   1619.600 41.20000   1569.300 39.00000   375.9237 4.785609   370.0522   4.601943 5.871460 6.639272 
1 1 1   -3    7   10 o 252.4398 2.385434  729.9539 9.743589   724.4000 19.00000   735.8000 20.00000   251.4573 3.299356   253.4223   3.446076 -1.965027 4.770869 
1 1 1   -3    7   11 o 408.9806 3.617988  1917.586 23.91618   1930.400 49.70000   1905.700 46.10000   410.2772 5.289550   407.6839   4.937613 2.593292 7.235977 
1 1 1   -3    7   12 o 89.38304 1.513401  91.85173 2.160919   95.30000 4.000000   87.80000 4.700000   91.21722 1.914797   87.54886   2.344159 3.668365 3.026802 
1 1 1   -3    7   13 o 212.0201 2.083361  515.3147 7.148602   507.0000 14.50000   523.4000 14.10000   210.3288 3.010294   213.7113   2.880920 -3.382553 4.166722 
1 1 1   -3    7   14 o 108.2356 1.740766  134.2500 3.050000   138.4000 6.100000   130.1000 6.100000   109.9098 2.423445   106.5613   2.499597 3.348480 3.481532 
1 1 1   -3    7   15 o 197.3568 2.127672  446.4901 6.796691   453.9000 13.90000   439.4000 13.30000   198.9548 3.050703   195.7588   2.966676 3.196045 4.255344 
1 1 1   -3    7   16 o 39.31779 2.528490  17.71875 1.575000   17.50000 2.800000   18.00000 3.600000   39.05320 3.130697   39.58237   3.971370 -0.5291748 5.056980 
1 1 1   -3    7   17 o 74.14819 1.814043  62.63793 2.140230   59.10000 3.800000   67.20000 4.900000   71.78232 2.311563   76.51406   2.796369 -4.731743 3.628086 
1 1 1   -3    7   18 o 16.66189 4.295072  2.613115 1.504918   3.100000 2.700000   2.000000 3.400000   16.98071 5.790900   16.34307   6.344766 0.6376419 8.590144 
1 1 1   -3    7   19 o 83.35085 1.685681  79.60000 2.261539   76.00000 4.200000   83.80000 4.900000   81.33188 2.254905   85.36982   2.506291 -4.037941 3.371363 
1 1 1   -3    7   20 o 58.51353 2.216983  39.38095 2.080952   37.30000 3.800000   41.90000 4.600000   56.84831 2.918810   60.17876   3.337754 -3.330448 4.433966 
1 1 1   -3    7   21 o 23.05476 4.089514  6.583607 1.514754   6.400000 2.800000   6.800000 3.300000   22.75247 5.446125   23.35704   6.102149 -0.6045723 8.179028 
1 1 1   -3    7   22 o 19.48843 4.726110  4.530555 1.765278   5.100000 4.100000   4.100000 3.100000   20.51457 7.129963   18.46229   6.205488 2.052279 9.452220 
1 1 1   -3    7   23 o 23.20802 4.339157  7.250685 1.797260   10.10000 3.200000   3.600000 4.100000   28.22953 5.139114   18.18650   6.993041 10.04303 8.678313 
1 1 1   -3    7   24 o 21.23357 4.830064  6.418421 1.898684   7.100000 3.700000   5.700000 3.900000   22.30754 6.702242   20.15959   6.956870 2.147957 9.660129 
1 1 1   -3    7   25 o 13.56117 4.330963     -0.02 1.807595 -0.2000000 2.800000  0.3000000 5.100000   11.73280 5.210797   15.38955   6.919287 -3.656758 8.661925 
1 1 1   -3    9    1 o 231.6463 2.225952  614.7500 8.350000   614.5000 16.70000   615.0000 16.70000   231.5992 3.148612   231.6934   3.147331 -0.9425354E-01 4.451905 
1 1 1   -3    9    2 o 151.2716 1.654485  262.1074 4.044445   261.9000 8.400000   262.3000 7.800000   151.2123 2.425671   151.3309   2.250644 -0.1185913 3.308969 
1 1 1   -3    9    3 o 462.4407 3.976073  2452.837 29.77498   2438.000 59.50000   2467.700 59.60000   461.0392 5.635324   463.8423   5.610681 -2.803131 7.952145 
1 1 1   -3    9    4 o 132.4869 1.678012  201.0139 3.599306   207.3000 7.300000   194.9000 7.100000   134.5298 2.369431   130.4440   2.376697 4.085724 3.356024 
1 1 1   -3    9    5 o 263.9962 2.450236  798.5341 10.47446   807.8000 21.10000   789.4000 20.80000   265.5166 3.470007   262.4758   3.460300 3.040863 4.900473 
1 1 1   -3    9    6 o 189.6095 2.283170  411.6961 6.971071   415.9000 14.90000   408.0000 13.10000   190.5112 3.415116   188.7078   3.031246 1.803421 4.566341 
1 1 1   -3    9    7 o 347.2507 3.205618  1382.311 18.00971   1404.900 37.10000   1361.000 35.00000   349.9954 4.628617   344.5060   4.436199 5.489410 6.411237 
1 1 1   -3    9    8 o 128.0916 1.748960  187.7517 3.611034   184.0000 6.800000   192.0000 7.700000   126.7323 2.342940   129.4508   2.597321 -2.718498 3.497920 
1 1 1   -3    9    9 o 84.84904 1.783447  82.45918 2.448980   78.10000 4.800000   87.00000 5.000000   82.56006 2.538698   87.13803   2.505544 -4.577972 3.566894 
1 1 1   -3    9   10 o 75.63255 1.884644  65.70000 2.300000   72.10000 4.600000   59.30000 4.600000   79.32752 2.532058   71.93758   2.792169 7.389946 3.769287 
1 1 1   -3    9   11 o 55.77702 2.375819  35.06047 2.093023   31.00000 3.600000   40.70000 5.000000   51.99564 3.023258   59.55839   3.665783 -7.562748 4.751637 
1 1 1   -3    9   12 o 118.7623 1.599000  161.3699 3.065041   155.9000 5.800000   167.5000 6.500000   116.6357 2.171381   120.8888   2.347831 -4.253098 3.198001 
1 1 1   -3    9   13 o 67.21367 1.932518  51.82738 2.098809   57.10000 4.300000   46.80000 4.100000   70.55656 2.661159   63.87078   2.802988 6.685772 3.865037 
1 1 1   -3    9   14 o 65.11859 2.014892  48.64353 2.122353   50.30000 4.400000   47.10000 4.100000   66.18528 2.902893   64.05191   2.795062 2.133369 4.029784 
1 1 1   -3    9   15 o 52.43129 1.884146  31.55625 1.598437   33.00000 3.300000   30.20000 3.100000   53.59170 2.688785   51.27087   2.640163 2.320831 3.768292 
1 1 1   -3    9   16 o 122.5922 1.575493  172.5128 3.115200   170.2000 5.900000   175.1000 6.600000   121.7415 2.116182   123.4429   2.334626 -1.701439 3.150985 
1 1 1   -3    9   17 o 71.01080 1.717499  58.03164 1.974684   59.50000 4.000000   56.60000 3.900000   71.89775 2.429318   70.12386   2.428503 1.773895 3.434998 
1 1 1   -3    9   18 o 41.81813 2.551300  20.45075 1.591045   20.80000 2.600000   19.90000 4.100000   42.43106 2.675649   41.20520   4.344817 1.225857 5.102600 
1 1 1   -3    9   19 o 18.46358 4.450659  3.592308 1.538462   1.900000 2.500000   6.300000 4.000000   14.46143 5.484380   22.46572   7.011065 -8.004295 8.901318 
1 1 1   -3    9   20 o 42.09100 2.682900  21.19444 1.798611   24.50000 3.500000   17.70000 3.700000   45.65665 3.347370   38.52534   4.193677 7.131310 5.365800 
1 1 1   -3    9   21 o 15.28994 4.390696  1.900000 1.698529   1.900000 3.300000   1.900000 3.500000   15.16062 6.131853   15.41925   6.285954 -0.2586269 8.781391 
1 1 1   -3    9   22 o 32.41122 3.673591  13.20789 1.835526   9.700000 3.100000   18.30000 4.500000   27.15369 5.173996   37.66875   5.216401 -10.51507 7.347181 
1 1 1   -3    9   23 o 15.45312 4.386584  2.141667 1.750000   3.600000 3.000000  0.1000000 4.200000   16.72289 6.069268   14.18336   6.335019 2.539528 8.773168 
1 1 1   -3   11    1 o 30.91800 4.052355  10.93250 1.955000   8.000000 3.400000   14.90000 4.600000   25.85193 5.876050   35.98407   5.581967 -10.13214 8.104710 
1 1 1   -3   11    2 o 36.53957 3.371203  15.13125 1.968750   12.90000 3.500000   18.00000 4.500000   33.50891 4.560867   39.57023   4.965736 -6.061321 6.742407 
1 1 1   -3   11    3 o 70.13317 2.057141  56.40968 2.303226   56.30000 5.100000   56.50000 4.200000   70.06159 3.178556   70.20475   2.612297 -0.1431580 4.114281 
1 1 1   -3   11    4 o 63.18143 2.345992  45.80000 2.400000   45.00000 4.800000   46.60000 4.800000   62.62854 3.346638   63.73432   3.288574 -1.105782 4.691983 
1 1 1   -3   11    5 o 115.5416 1.777403  153.0376 3.323308   153.6000 6.800000   152.5000 6.500000   115.7463 2.565320   115.3369   2.460849 0.4094086 3.554806 
1 1 1   -3   11    6 o 31.66383 4.242009  11.80952 2.070238   13.60000 4.700000   10.40000 3.700000   33.78266 6.306920   29.54500   5.674620 4.237661 8.484017 
1 1 1   -3   11    7 o 41.03899 3.238863  19.92410 2.067470   24.20000 3.900000   15.10000 4.400000   45.89236 3.710769   36.18563   5.309532 9.706726 6.477726 
1 1 1   -3   11    8 o 113.7435 1.864145  148.4993 3.410219   149.2000 6.400000   147.7000 7.300000   114.0468 2.450398   113.4403   2.809928 0.6064835 3.728290 
1 1 1   -3   11    9 f 80.14059 2.027801  73.54857 2.596190   71.40000 4.700000   76.20000 5.800000   78.85993 2.602443   81.42124   3.110498 -2.561310 4.055602 
1 1 1   -3   11   10 o 44.35898 2.370455  22.64706 1.694118   22.60000 3.200000   22.70000 3.600000   44.32341 3.152510   44.39455   3.540891 -0.7113266E-01 4.740911 
1 1 1   -3   11   11 o 18.42085 4.447364  3.664063 1.598437   4.100000 3.100000   3.200000 3.300000   19.01949 6.198962   17.82220   6.378797 1.197289 8.894728 
1 1 1   -3   11   12 o 66.68449 2.012280  51.05349 2.093023   50.30000 3.600000   52.10000 5.000000   66.15285 2.376258   67.21613   3.248151 -1.063278 4.024561 
1 1 1   -3   11   13 o 100.8495 1.729765  116.9920 2.823009   111.2000 5.500000   123.1000 5.800000   98.28740 2.443456   103.4116   2.449054 -5.124207 3.459530 
1 1 1   -3   11   14 o 22.16067 4.173653  6.050819 1.524590   6.000000 3.100000   6.100000 3.000000   22.07184 5.982988   22.24949   5.820772 -0.1776524 8.347306 
1 1 1   -3   11   15 o 42.97357 2.445977  21.42941 1.686765   20.70000 3.100000   22.30000 3.700000   42.22248 3.205956   43.72466   3.695004 -1.502178 4.891954 
1 1 1   -3   11   16 o 18.76907 4.406236  3.950725 1.681159   5.800000 2.900000   1.400000 4.000000   21.45057 5.775147   16.08756   6.656377 5.363007 8.812472 
1 1 1   -3   11   17 o 25.20415 4.363859  8.184723 1.798611   10.60000 3.700000   5.900000 3.500000   28.92828 5.787044   21.48003   6.533236 7.448252 8.727717 
1 1 1   -3   11   18 o 15.47544 4.515316  1.794520 1.783562   1.200000 3.100000   2.600000 4.200000   14.01798 5.834843   16.93290   6.892527 -2.914922 9.030633 
1 1 1   -3   11   19 f 26.40052 4.769982  9.810588 2.101177   6.100000 3.800000   14.40000 4.700000   20.74325 6.868248   32.05779   6.621035 -11.31454 9.539965 
1 1 1   -3   11   20 o 21.90136 3.841137  5.922222 1.526984   1.300000 2.600000   12.50000 3.700000   13.14074 5.394343   30.66198   5.469773 -17.52124 7.682275 
1 1 1   -3   13    1 o 34.61165 3.523184  13.98101 1.972152   14.50000 4.100000   13.50000 3.800000   35.21582 5.083769   34.00749   4.879201 1.208328 7.046369 
1 1 1   -3   13    2 o 24.20365 4.620003  7.068000 1.858667   5.300000 3.400000   9.200000 4.100000   21.08096 6.445061   27.32633   6.621095 -6.245369 9.240005 
1 1 1   -3   13    3 o 79.74651 2.013877  73.22019 2.591346   75.60000 5.500000   71.10000 4.900000   80.94621 2.966920   78.54681   2.724001 2.399391 4.027753 
1 1 1   -3   13    4 o 22.98088 4.226014  6.479688 1.598437   5.500000 3.300000   7.400000 3.100000   21.35029 6.310144   24.61147   5.623065 -3.261181 8.452028 
1 1 1   -3   13    5 o 23.13854 5.104656  5.859551 2.161798   2.700000 3.700000   10.30000 5.200000   17.53924 6.667124   28.73783   7.731722 -11.19859 10.20931 
1 1 1   -3   13    6 o 24.17733 4.766304  7.130769 1.938461   8.800000 4.200000   5.700000 3.600000   26.61483 6.850371   21.73982   6.628953 4.875017 9.532608 
1 1 1   -3   13    7 o 39.71246 3.190262  18.78205 1.821795   19.60000 2.900000   17.40000 4.900000   41.14310 3.077802   38.28183   5.589116 2.861279 6.380524 
1 1 1   -3   13    8 o 11.85700 3.936892 -3.761039 1.924675  -2.900000 3.900000  -4.600000 3.800000   12.47654 5.774167   11.23746   5.353079 1.239082 7.873783 
1 1 1   -3   13    9 o 54.75772 2.286735  34.80370 2.022222   31.00000 3.900000   38.90000 4.200000   51.63763 3.297904   57.87781   3.168669 -6.240173 4.573471 
1 1 1   -3   13   10 o 44.05983 2.644502  22.86667 1.866667   21.80000 4.000000   23.80000 3.500000   42.99533 4.062359   45.12432   3.386858 -2.128986 5.289005 
1 1 1   -3   13   11 o 21.72537 4.644955  5.991892 1.837838   7.600000 3.400000   4.100000 4.000000   24.33105 6.110290   19.11969   6.997626 5.211365 9.289909 
1 1 1   -3   13   12 o 53.92048 2.458370  34.43765 2.122353   30.40000 4.400000   38.20000 4.100000   50.71138 3.788672   57.12959   3.133736 -6.418209 4.916741 
1 1 1   -3   13   13 o 36.22148 3.291534  16.05325 1.916883   16.10000 3.600000   16.00000 4.100000   36.44175 4.313631   36.00121   4.972863 0.4405403 6.583067 
1 1 1   -3   13   14 o 31.07192 3.906400  12.51053 1.894737   13.60000 3.600000   11.30000 4.000000   33.12024 4.746230   29.02360   6.205896 4.096638 7.812800 
1 1 1   -3   13   15 o 16.89803 4.263447  3.593220 1.454237   2.800000 2.600000   4.600000 3.300000   15.33023 5.636972   18.46584   6.397850 -3.135608 8.526895 
1 1 1   -3   13   16 o 16.62271 4.830062  2.740476 2.023810   2.700000 3.400000   2.800000 5.000000   15.87534 6.290096   17.37009   7.331623 -1.494749 9.660125 
1 1 1   -3   13   17 o 16.44996 4.211835  3.215152 1.625758   5.500000 2.900000  0.3000000 3.700000   19.51855 5.949230   13.38137   5.963631 6.137180 8.423671 
1 1 1   -3   15    1 o 17.51991 4.321117  2.303750 1.938750   6.800000 3.300000  -4.100000 4.700000   22.39092 6.215445   12.64890   6.004703 9.742017 8.642234 
1 1 1   -3   15    2 o 11.79850 3.871045 -2.416000 1.754667 -0.4000000 2.800000  -5.800000 4.700000   11.75705 5.216695   11.83996   5.720668 -0.8290672E-01 7.742090 
1 1 1   -3   15    3 o 14.34696 4.121471 -1.087013 1.898701   4.300000 3.400000  -7.900000 4.300000   18.37406 6.485496   10.31986   5.087675 8.054198 8.242942 
1 1 1   -3   15    4 o 22.91116 4.865166  7.181111 2.178889   10.10000 3.700000   3.000000 5.300000   27.49859 6.040452   18.32372   7.628387 9.174868 9.730331 
1 1 1   -3   15    5 o 23.64705 4.414824  7.468889 2.115556   11.70000 3.400000  0.5000000 5.600000   30.64788 4.844156   16.64622   7.382199 14.00167 8.829649 
1 1 1   -3   15    6 o 14.31940 4.477532      0.10 2.045122   1.200000 4.300000 -0.9000000 3.900000   15.45066 6.666974   13.18813   5.978681 2.262527 8.955064 
1 1 1   -3   15    7 o 19.98541 5.124641  5.395454 2.195454   3.200000 4.200000   7.800000 4.600000   17.14916 6.924134   22.82166   7.556728 -5.672508 10.24928 
1 1 1   -3   15    8 o 14.30483 4.612645 -0.6063830 2.221277 -0.3000000 3.600000  -1.100000 5.800000   13.11644 5.861303   15.49322   7.123981 -2.376783 9.225290 
1 1 1   -3   15    9 o 13.22887 4.331192 -1.654545 2.127273  -1.000000 3.600000  -2.600000 5.200000   12.54570 5.709291   13.91204   6.514666 -1.366346 8.662383 
1 1 1   -3   15   10 o 23.04066 4.534554  7.383696 2.272826   13.40000 4.100000 -0.1000000 5.100000   31.06654 5.979786   15.01477   6.818423 16.05177 9.069109 
1 1 1   -3   15   11 o 27.14249 4.555436  11.15862 2.174713   16.20000 4.300000   6.000000 4.400000   34.58387 5.429184   19.70112   7.316553 14.88275 9.110872 
1 1 1   -2    0    1 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -2    0    2 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -2    0    3 o 156.4862 2.205389  280.6000 7.900000   280.6000 7.900000   280.6000 7.900000   156.4862 2.205389   156.4862   2.205389 0.000000 0.000000 
1 1 1   -2    0    4 o 141.5772 2.190983  229.7000 7.100000   229.7000 7.100000   229.7000 7.100000   141.5772 2.190983   141.5772   2.190983 0.000000 0.000000 
1 1 1   -2    0    5 o 338.4086 4.259584  1312.300 33.00000   1312.300 33.00000   1312.300 33.00000   338.4086 4.259584   338.4086   4.259584 0.000000 0.000000 
1 1 1   -2    0    6 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -2    0    7 o 159.3555 2.412568  291.0000 8.800000   291.0000 8.800000   291.0000 8.800000   159.3555 2.412568   159.3555   2.412568 0.000000 0.000000 
1 1 1   -2    0    8 o 463.3303 5.637610  2460.100 59.80000   2460.100 59.80000   2460.100 59.80000   463.3303 5.637610   463.3303   5.637610 0.000000 0.000000 
1 1 1   -2    0    9 o 142.6765 2.296690  233.3000 7.500000   233.3000 7.500000   233.3000 7.500000   142.6765 2.296690   142.6765   2.296690 0.000000 0.000000 
1 1 1   -2    0   10 o 239.2878 3.012021  656.1000 16.50000   656.1000 16.50000   656.1000 16.50000   239.2878 3.012021   239.2878   3.012021 0.000000 0.000000 
1 1 1   -2    0   11 o 98.75191 1.902947  111.8000 4.300000   111.8000 4.300000   111.8000 4.300000   98.75191 1.902947   98.75191   1.902947 0.000000 0.000000 
1 1 1   -2    0   12 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -2    0   13 o 501.7467 5.806467  2885.700 66.70000   2885.700 66.70000   2885.700 66.70000   501.7467 5.806467   501.7467   5.806467 0.000000 0.000000 
1 1 1   -2    0   14 o 77.23421 1.641235  68.40000 2.900000   68.40000 2.900000   68.40000 2.900000   77.23421 1.641235   77.23421   1.641235 0.000000 0.000000 
1 1 1   -2    0   15 o 471.3947 5.522498  2547.000 59.60000   2547.000 59.60000   2547.000 59.60000   471.3947 5.522498   471.3947   5.522498 0.000000 0.000000 
1 1 1   -2    0   16 o 312.4053 3.859044  1118.500 27.60000   1118.500 27.60000   1118.500 27.60000   312.4053 3.859044   312.4053   3.859044 0.000000 0.000000 
1 1 1   -2    0   17 o 198.6212 3.035441  452.2000 13.80000   452.2000 13.80000   452.2000 13.80000   198.6212 3.035441   198.6212   3.035441 0.000000 0.000000 
1 1 1   -2    0   18 o 108.6664 2.131559  135.4000 5.300000   135.4000 5.300000   135.4000 5.300000   108.6664 2.131559   108.6664   2.131559 0.000000 0.000000 
1 1 1   -2    0   19 o 39.81899 3.925676  18.70000 3.500000   18.70000 3.500000   18.70000 3.500000   39.81899 3.925676   39.81899   3.925676 0.000000 0.000000 
1 1 1   -2    0   20 o 24.90295 6.695560  8.500000 3.300000   8.500000 3.300000   8.500000 3.300000   24.90295 6.695560   24.90295   6.695560 0.000000 0.000000 
1 1 1   -2    0   21 o 9.862207 6.566277 -1.200000 4.000000  -1.200000 4.000000  -1.200000 4.000000   9.862207 6.566277   9.862207   6.566277 0.000000 0.000000 
1 1 1   -2    0   22 o 17.76267 7.247594  5.100000 2.900000   5.100000 2.900000   5.100000 2.900000   17.76267 7.247594   17.76267   7.247594 0.000000 0.000000 
1 1 1   -2    0   23 o 15.33267 8.174435  4.000000 3.900000   4.000000 3.900000   4.000000 3.900000   15.33267 8.174435   15.33267   8.174435 0.000000 0.000000 
1 1 1   -2    0   24 o 43.41650 3.260644  22.10000 3.200000   22.10000 3.200000   22.10000 3.200000   43.41650 3.260644   43.41650   3.260644 0.000000 0.000000 
1 1 1   -2    0   25 o 11.61939 7.351490  1.000000 4.200000   1.000000 4.200000   1.000000 4.200000   11.61939 7.351490   11.61939   7.351490 0.000000 0.000000 
1 1 1   -2    0   26 o 82.51527 2.279418  78.90000 4.300000   78.90000 4.300000   78.90000 4.300000   82.51527 2.279418   82.51527   2.279418 0.000000 0.000000 
1 1 1   -2    0   27 o 34.32303 6.025600  15.60000 4.300000   15.60000 4.300000   15.60000 4.300000   34.32303 6.025600   34.32303   6.025600 0.000000 0.000000 
1 1 1   -2    0   28 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -2    2    1 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -2    2    2 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -2    2    3 o 331.9397 2.930725  1262.553 15.74857   1278.500 31.20000   1246.300 31.80000   334.0593 4.078221   329.8201   4.210073 4.239166 5.861451 
1 1 1   -2    2    4 o 123.7772 1.347503  175.4769 2.699074   176.9000 5.300000   174.0000 5.500000   124.2889 1.862015   123.2655   1.948323 1.023415 2.695007 
1 1 1   -2    2    5 o 822.0493 13.21045  0.000000 0.000000          ?        ?   7759.800 248.7000          ?        ?   822.0493   13.21045       ?       ? 
1 1 1   -2    2    6 o 198.3212 1.954059  450.2797 6.272510   471.8000 12.80000   429.6000 12.30000   202.9662 2.753759   193.6762   2.773119 9.289978 3.908117 
1 1 1   -2    2    7 o 512.8456 4.364960  3013.800 36.25000   3029.100 72.50000   2998.500 72.50000   514.1483 6.157285   511.5429   6.188645 2.605377 8.729919 
1 1 1   -2    2    8 o 167.6589 1.850519  321.6443 5.018905   310.4000 9.700000   333.7000 10.40000   164.6260 2.572841   170.6917   2.660484 -6.065689 3.701038 
1 1 1   -2    2    9 o 381.3646 3.351885  1667.109 20.69988   1663.300 41.50000   1670.900 41.30000   380.9286 4.757121   381.8007   4.723382 -0.8721008 6.703770 
1 1 1   -2    2   10 o 195.3309 1.901324  437.1067 5.973333   436.2000 12.80000   437.9000 11.20000   195.1362 2.864257   195.5257   2.501232 -0.3894806 3.802647 
1 1 1   -2    2   11 o 250.0874 2.539561  718.4658 9.553117   725.2000 15.70000   708.0000 24.40000   251.6184 2.724564   248.5564   4.286518 3.062027 5.079123 
1 1 1   -2    2   12 o 417.8698 4.080305  1985.456 24.63193   1940.100 38.40000   2066.600 68.70000   411.4476 4.075270   424.2919   7.070200 -12.84424 8.160610 
1 1 1   -2    2   13 o 124.6591 1.836319  177.7286 3.600000   176.1000 6.300000   179.9000 8.400000   123.9988 2.218517   125.3195   2.926849 -1.320671 3.672637 
1 1 1   -2    2   14 o 431.9155 4.204408  2148.837 26.62500   2177.900 42.60000   2100.400 71.00000   435.9677 4.266728   427.8633   7.245911 8.104401 8.408816 
1 1 1   -2    2   15 o 175.4501 2.099593  344.4850 5.284120   324.6000 8.100000   381.8000 15.20000   168.3517 2.100909   182.5485   3.635841 -14.19681 4.199185 
1 1 1   -2    2   16 o 302.1299 3.090184  1050.981 14.06180   1067.800 23.20000   1025.100 35.70000   305.2796 3.318409   298.9802   5.213934 6.299469 6.180367 
1 1 1   -2    2   17 o 314.5090 3.120534  1130.571 14.37472   1119.300 22.80000   1149.800 38.90000   312.5174 3.185667   316.5006   5.366793 -3.983185 6.241068 
1 1 1   -2    2   18 o 125.8269 1.797348  181.5986 3.482639   182.5000 5.900000   180.3000 8.500000   126.2216 2.041071   125.4322   2.959031 0.7893677 3.594695 
1 1 1   -2    2   19 o 173.6182 2.272591  342.7872 5.865600   333.5000 9.400000   358.2000 15.60000   170.5808 2.406232   176.6556   3.855998 -6.074860 4.545181 
1 1 1   -2    2   20 o 92.15398 1.782570  98.18558 2.522115   101.7000 4.300000   93.20000 6.100000   94.19315 1.993374   90.11480   2.955789 4.078346 3.565141 
1 1 1   -2    2   21 f 84.36134 1.945118  80.76572 2.499048   76.90000 4.100000   86.80000 6.400000   81.86110 2.186986   86.86160   3.217302 -5.000496 3.890237 
1 1 1   -2    2   22 o 120.6439 1.931979  168.2592 3.511565   171.1000 5.800000   163.9000 8.900000   122.0657 2.074789   119.2221   3.259665 2.843643 3.863957 
1 1 1   -2    2   23 o 30.98052 3.544207  11.48358 1.591045   11.60000 2.600000   11.30000 4.100000   31.61948 3.590528   30.34155   6.111769 1.277925 7.088414 
1 1 1   -2    2   24 o 45.00196 2.494031  23.49437 1.673239   23.00000 2.700000   24.30000 4.400000   44.57266 2.645056   45.43126   4.229000 -0.8585930 4.988062 
1 1 1   -2    2   25 o 28.79673 4.513466  11.40000 1.928571   13.90000 3.000000   6.900000 5.400000   34.27888 3.821504   23.31458   8.178119 10.96431 9.026933 
1 1 1   -2    2   26 o 50.92218 2.807929  31.37778 2.138889   31.30000 3.500000   31.50000 5.500000   51.45543 2.970137   50.38892   4.766146 1.066505 5.615858 
1 1 1   -2    2   27 o 30.06250 4.718165  12.03111 2.062222   9.400000 3.200000   16.80000 5.800000   26.55484 5.444736   33.57016   7.707087 -7.015316 9.436330 
1 1 1   -2    4    1 o 224.3977 2.153970  576.6138 7.818531   579.7000 16.10000   573.7000 15.20000   224.9803 3.124792   223.8151   2.965472 1.165161 4.307941 
1 1 1   -2    4    2 o 586.2415 4.909047  3938.863 46.59093   3932.700 91.90000   3945.200 94.50000   585.7834 6.850434   586.6996   7.033245 -0.9161377 9.818094 
1 1 1   -2    4    3 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -2    4    4 o 95.50260 1.180031  104.4315 1.824658   103.1000 3.600000   105.8000 3.700000   94.88544 1.656695   96.11976   1.680849 -1.234314 2.360062 
1 1 1   -2    4    5 o 391.6807 3.417282  1757.977 21.67474   1764.700 43.50000   1751.300 43.20000   392.4267 4.840280   390.9348   4.825242 1.491852 6.834564 
1 1 1   -2    4    6 o 588.6152 4.954255  3974.788 47.21387   3890.600 93.00000   4061.600 95.90000   582.2915 6.974004   594.9388   7.038595 -12.64734 9.908509 
1 1 1   -2    4    7 o 90.50114 1.785202  93.80000 3.700000   93.80000 3.700000          ?        ?   90.50114 1.785202          ?          ?       ?       ? 
1 1 1   -2    4    8 o 111.0334 1.434699  141.1252 2.563107   142.3000 5.500000   140.1000 4.800000   111.4644 2.154598   110.6023   1.895032 0.8620377 2.869397 
1 1 1   -2    4    9 o 282.8459 2.576875  916.7780 11.79979   935.1000 23.50000   898.3000 23.70000   285.6872 3.591838   280.0047   3.695922 5.682556 5.153750 
1 1 1   -2    4   10 f 350.4748 3.887805  1411.894 20.92933   1428.000 35.40000   1388.600 51.20000   353.0046 4.378876   347.9450   6.425384 5.059601 7.775609 
1 1 1   -2    4   11 o 371.7852 3.193420  1584.049 19.22471   1571.400 38.60000   1596.600 38.30000   370.3043 4.551644   373.2662   4.480431 -2.961914 6.386840 
1 1 1   -2    4   12 o 486.4457 4.142035  2712.267 32.60659   2737.400 66.80000   2688.300 63.70000   488.6356 5.969405   484.2558   5.743866 4.379852 8.284069 
1 1 1   -2    4   13 o 425.8489 3.607207  2078.564 24.87437   2075.700 50.00000   2081.400 49.50000   425.5546 5.130438   426.1432   5.072118 -0.5886230 7.214415 
1 1 1   -2    4   14 o 129.0972 1.542830  190.7488 3.220155   187.0000 6.200000   194.8000 6.700000   127.7792 2.118709   130.4152   2.243295 -2.636032 3.085660 
1 1 1   -2    4   15 o 54.42676 1.900299  34.27273 1.636364   37.00000 3.000000   31.00000 3.600000   56.83557 2.304840   52.01794   3.021962 4.817631 3.800597 
1 1 1   -2    4   16 o 91.25238 1.726634  95.38039 2.546078   94.90000 4.900000   95.90000 5.300000   91.01499 2.350839   91.48978   2.529548 -0.4747849 3.453268 
1 1 1   -2    4   17 o 40.91174 3.097041  19.14177 1.807595   19.00000 2.800000   19.40000 5.100000   40.71764 3.002722   41.10583   5.417594 -0.3881874 6.194083 
1 1 1   -2    4   18 o 138.5851 1.826926  217.0267 3.763975   207.3000 6.000000   233.4000 10.10000   134.5095 1.947771   142.6607   3.091411 -8.151169 3.653852 
1 1 1   -2    4   19 o 83.68679 1.608576  80.34598 2.167816   81.10000 4.100000   79.50000 4.600000   84.11040 2.128501   83.26318   2.412373 0.8472137 3.217151 
1 1 1   -2    4   20 o 102.3788 2.008761  119.9481 2.987597   118.6000 4.700000   122.3000 8.200000   101.6814 2.018347   103.0761   3.473725 -1.394691 4.017523 
1 1 1   -2    4   21 o 56.52126 2.328375  35.40854 1.737805   33.00000 2.500000   40.90000 5.700000   53.61213 2.036182   59.43039   4.187993 -5.818260 4.656750 
1 1 1   -2    4   22 o 55.46794 1.958302  34.90000 1.680000   32.30000 2.800000   38.80000 4.200000   52.98494 2.307519   57.95094   3.164670 -4.966007 3.916604 
1 1 1   -2    4   23 o 42.88436 3.320978  21.52889 2.115556   21.00000 3.400000   22.40000 5.600000   42.47201 3.495553   43.29671   5.647716 -0.8247032 6.641956 
1 1 1   -2    4   24 o 50.85909 2.951364  30.35851 2.141489   29.20000 3.300000   32.50000 6.100000   50.01707 2.880948   51.70112   5.151926 -1.684052 5.902728 
1 1 1   -2    4   25 o 30.98059 4.618804  12.23889 2.032222   10.00000 3.100000   16.50000 5.900000   27.98337 5.021813   33.97781   7.753371 -5.994448 9.237607 
1 1 1   -2    4   26 o 15.31870 4.347315  2.198485 1.625758   1.100000 2.900000   3.600000 3.700000   13.37219 5.610607   17.26522   6.642114 -3.893035 8.694630 
1 1 1   -2    4   27 o 14.01976 4.183560  1.362121 1.643939   0.000000 3.100000   2.900000 3.500000   12.26234 5.462274   15.77718   6.338159 -3.514839 8.367120 
1 1 1   -2    6    1 o 170.1122 1.818459  331.0200 4.968000   337.5000 10.80000   325.5000 9.200000   171.6478 2.747422   168.5766   2.383034 3.071106 3.636919 
1 1 1   -2    6    2 o 101.9742 1.347043  118.6416 2.211236   112.1000 4.100000   126.3000 4.800000   98.93541 1.809555   105.0129   1.995897 -6.077538 2.694085 
1 1 1   -2    6    3 o 296.1693 2.691262  1004.918 12.88062   1000.400 24.80000   1009.800 26.80000   295.4842 3.664857   296.8545   3.942129 -1.370239 5.382524 
1 1 1   -2    6    4 o 80.77182 1.204628  74.49207 1.565079   78.00000 3.400000   71.50000 2.900000   82.52796 1.798944   79.01567   1.602598 3.512291 2.409256 
1 1 1   -2    6    5 o 278.3941 2.567355  887.6058 11.56847   867.3000 22.60000   908.9000 23.70000   275.1355 3.586754   281.6527   3.674296 -6.517212 5.134711 
1 1 1   -2    6    6 o 208.4727 3.273166  497.9914 11.04638   504.1000 22.50000   492.1000 21.70000   209.7262 4.684568   207.2192   4.572667 2.507004 6.546332 
1 1 1   -2    6    7 o 257.6817 2.414328  760.2968 10.06452   742.2000 19.50000   779.6000 20.80000   254.5180 3.345460   260.8455   3.481927 -6.327515 4.828656 
1 1 1   -2    6    8 o 435.8950 3.669855  2176.968 25.87210   2206.300 53.50000   2149.500 50.10000   438.7259 5.324762   433.0640   5.051558 5.661896 7.339709 
1 1 1   -2    6    9 o 177.0744 1.958703  359.7969 5.588839   371.5000 10.70000   347.0000 11.70000   180.0975 2.594274   174.0513   2.935272 6.046234 3.917407 
1 1 1   -2    6   10 o 390.8004 3.555349  1750.356 22.49722   1763.500 45.50000   1737.500 44.50000   392.2487 5.065118   389.3520   4.990652 2.896729 7.110698 
1 1 1   -2    6   11 o 199.5593 2.088594  455.9533 6.746666   471.9000 13.80000   440.7000 13.20000   202.9712 2.968823   196.1474   2.938536 6.823837 4.177189 
1 1 1   -2    6   12 f 194.8418 2.101302  434.8543 6.613585   436.0000 13.80000   433.8000 12.70000   195.0847 3.088842   194.5988   2.849726 0.4858093 4.202605 
1 1 1   -2    6   13 o 202.8757 1.971696  471.3950 6.472587   443.2000 12.70000   500.7000 13.20000   196.6896 2.819435   209.0618   2.757013 -12.37228 3.943391 
1 1 1   -2    6   14 o 241.1339 2.285127  665.5319 8.909244   694.5000 18.60000   638.9000 17.10000   246.1589 3.299417   236.1090   3.162447 10.04991 4.570254 
1 1 1   -2    6   15 o 82.75136 1.535654  78.53415 2.039024   79.60000 3.800000   77.30000 4.400000   83.36080 1.990496   82.14192   2.338986 1.218880 3.071307 
1 1 1   -2    6   16 o 107.2754 1.726912  131.8717 2.999167   130.2000 5.900000   133.6000 6.100000   106.5850 2.417105   107.9657   2.467083 -1.380676 3.453824 
1 1 1   -2    6   17 o 106.6509 1.667535  130.3817 2.864348   130.1000 5.400000   130.7000 6.100000   106.5358 2.213288   106.7660   2.494804 -0.2302170 3.335070 
1 1 1   -2    6   18 o 164.3207 1.983440  310.0687 5.272038   307.1000 10.80000   312.9000 10.30000   163.5399 2.883631   165.1016   2.724117 -1.561661 3.966880 
1 1 1   -2    6   19 o 53.57585 2.403111  33.35366 2.048780   41.60000 4.200000   25.50000 4.000000   60.12922 3.050025   47.02248   3.714447 13.10675 4.806222 
1 1 1   -2    6   20 o 78.64738 1.889095  71.33021 2.398958   75.10000 4.700000   67.40000 4.900000   80.79349 2.540161   76.50127   2.796837 4.292221 3.778189 
1 1 1   -2    6   21 o 30.85715 4.035733  11.61818 1.870130   12.20000 3.200000   10.80000 4.500000   32.30405 4.325464   29.41024   6.814611 2.893810 8.071466 
1 1 1   -2    6   22 o 36.56705 2.930607  15.59706 1.605882   15.10000 2.600000   16.40000 4.200000   36.02269 3.151642   37.11141   4.941759 -1.088722 5.861214 
1 1 1   -2    6   23 f 19.90529 4.624331  4.480000 1.920000   7.000000 3.200000  0.7000000 4.800000   23.36049 5.961624   16.45009   7.070841 6.910400 9.248662 
1 1 1   -2    6   24 o 42.43793 2.644442  21.96000 1.680000   23.00000 2.800000   20.40000 4.200000   44.18812 2.766892   40.68774   4.507393 3.500381 5.288883 
1 1 1   -2    6   25 o 39.47118 3.369265  19.63457 1.832099   19.60000 2.800000   19.70000 5.300000   40.53639 3.016148   38.40596   6.025831 2.130424 6.738530 
1 1 1   -2    6   26 f 13.88864 4.467916 -1.508989 2.161798  -5.500000 3.700000   4.100000 5.200000   9.881210 4.840768   17.89607   7.511064 -8.014856 8.935833 
1 1 1   -2    8    1 o 103.4987 1.462418  122.6408 2.448980   130.6000 5.000000   115.0000 4.800000   106.7892 2.044478   100.2082   2.091595 6.580986 2.924835 
1 1 1   -2    8    2 o 398.7954 3.523097  1822.302 22.74604   1887.500 46.10000   1758.800 44.90000   405.8370 4.960083   391.7538   5.004640 14.08322 7.046193 
1 1 1   -2    8    3 o 74.62011 1.447460  63.46000 1.737143   68.40000 3.800000   59.30000 3.200000   77.28167 2.147073   71.95855   1.941812 5.323120 2.894919 
1 1 1   -2    8    4 o 309.3449 2.815877  1095.034 14.05461   1124.200 29.80000   1069.000 26.60000   313.2302 4.154247   305.4597   3.802485 7.770508 5.631754 
1 1 1   -2    8    5 o 225.4110 2.109365  581.8387 7.697078   592.9000 15.70000   571.2000 15.10000   227.5114 3.013257   223.3106   2.952618 4.200760 4.218729 
1 1 1   -2    8    6 o 163.6439 1.707898  304.9138 4.475138   327.4000 10.00000   286.7000 8.100000   169.0699 2.582697   158.2178   2.235473 10.85211 3.415796 
1 1 1   -2    8    7 o 233.0250 2.299334  622.1614 8.674352   629.2000 17.20000   615.0000 17.50000   234.3564 3.204729   231.6936   3.298100 2.662842 4.598669 
1 1 1   -2    8    8 o 166.3959 1.725675  317.1140 4.649462   313.8000 9.200000   320.5000 9.400000   165.5173 2.427080   167.2744   2.453794 -1.757095 3.451351 
1 1 1   -2    8    9 o 210.7132 2.157376  507.4204 7.292517   524.4000 16.00000   493.2000 13.40000   213.9361 3.265696   207.4903   2.819984 6.445755 4.314752 
1 1 1   -2    8   10 o 164.6108 1.932220  310.4277 5.148058   311.6000 10.50000   309.3000 10.10000   164.9141 2.780169   164.3076   2.684130 0.6065521 3.864439 
1 1 1   -2    8   11 o 41.84832 2.374992  20.30000 1.542857   18.70000 3.600000   21.50000 2.700000   40.38109 3.892818   43.31555   2.721821 -2.934460 4.749983 
1 1 1   -2    8   12 o 153.3878 1.691037  269.5554 4.199405   270.0000 8.300000   269.1000 8.500000   153.5169 2.360814   153.2588   2.421772 0.2581024 3.382074 
1 1 1   -2    8   13 o 78.67210 1.838537  70.77527 2.279570   69.70000 4.000000   72.20000 5.300000   77.98943 2.239566   79.35476   2.916370 -1.365326 3.677074 
1 1 1   -2    8   14 o 205.4838 2.248648  484.2646 7.456187   487.1000 15.70000   481.7000 14.20000   206.0383 3.327296   204.9294   3.025685 1.108856 4.497296 
1 1 1   -2    8   15 o 100.7907 1.684816  116.3500 2.746364   108.4000 5.300000   124.9000 5.700000   97.22216 2.380402   104.3592   2.384976 -7.136993 3.369632 
1 1 1   -2    8   16 f 123.0720 1.769425  172.5887 3.473759   161.2000 6.200000   187.1000 7.900000   118.5172 2.284283   127.6267   2.702870 -9.109520 3.538850 
1 1 1   -2    8   17 o 97.73833 1.680716  109.1792 2.603774   114.5000 6.000000   105.1000 4.600000   99.79565 2.625302   95.68099   2.099287 4.114662 3.361431 
1 1 1   -2    8   18 o 39.93548 2.487372  18.46406 1.585938   18.60000 2.900000   18.30000 3.500000   40.13760 3.154905   39.73336   3.846383 0.4042473 4.974745 
1 1 1   -2    8   19 o 36.18798 3.128510  15.54225 1.715493   16.40000 2.900000   14.30000 4.200000   37.59682 3.368113   34.77914   5.273150 2.817677 6.257020 
1 1 1   -2    8   20 o 22.37387 4.501061  6.116901 1.766197   8.900000 3.800000   3.700000 3.300000   26.54618 6.338156   18.20156   6.392652 8.344620 9.002123 
1 1 1   -2    8   21 o 27.98854 3.817327  9.880597 1.671642   11.60000 3.200000   8.000000 3.500000   31.09698 4.493362   24.88011   6.172328 6.216879 7.634653 
1 1 1   -2    8   22 f 12.83437 3.897289 -1.821875 1.543750  -5.600000 2.600000   3.700000 3.800000   7.823578 3.875128   17.84517   6.763050 -10.02159 7.794579 
1 1 1   -2    8   23 f 14.08155 4.168139  1.296875 1.593750  0.5000000 3.000000   2.200000 3.400000   12.86649 5.560273   15.29661   6.211030 -2.430119 8.336278 
1 1 1   -2    8   24 o 13.45414 4.198013 -1.330769 1.944872  -5.600000 3.700000   3.400000 4.100000   9.934764 4.861421   16.97352   6.845424 -7.038760 8.396026 
1 1 1   -2   10    1 o 57.97777 2.475259  39.16889 2.178889   41.80000 3.700000   35.40000 5.300000   60.39884 2.674933   55.55669   4.165616 4.842144 4.950517 
1 1 1   -2   10    2 o 146.8386 1.809934  246.9965 4.290698   248.2000 9.000000   245.9000 8.200000   147.1763 2.670202   146.5009   2.444067 0.6754150 3.619868 
1 1 1   -2   10    3 o 273.7128 2.601389  858.6893 11.50542   850.3000 22.10000   867.8000 24.00000   272.3321 3.543505   275.0934   3.809524 -2.761322 5.202778 
1 1 1   -2   10    4 o 233.6731 2.292734  625.6282 8.666282   636.1000 17.90000   615.8000 16.80000   235.5619 3.318086   231.7843   3.164936 3.777573 4.585468 
1 1 1   -2   10    5 o 43.11885 2.649624  21.48904 1.824658   26.00000 3.700000   17.10000 3.600000   47.62450 3.392431   38.61320   4.071050 9.011299 5.299248 
1 1 1   -2   10    6 o 205.7229 2.131307  484.8260 7.094367   477.1000 13.80000   493.0000 14.60000   204.0403 2.953267   207.4055   3.073776 -3.365204 4.262615 
1 1 1   -2   10    7 o 84.25900 1.868610  80.72353 2.514706   74.90000 4.500000   88.10000 5.700000   80.84732 2.430449   87.67068   2.838966 -6.823357 3.737220 
1 1 1   -2   10    8 o 133.2219 1.866704  203.3565 4.017391   201.3000 7.700000   205.6000 8.400000   132.5233 2.537102   133.9204   2.738876 -1.397034 3.733407 
1 1 1   -2   10    9 o 106.2345 1.672269  129.0165 2.857391   124.5000 5.300000   134.3000 6.200000   104.2284 2.220392   108.2406   2.501159 -4.012169 3.344538 
1 1 1   -2   10   10 o 61.45410 2.145181  43.60000 2.057143   45.10000 3.600000   41.60000 4.800000   62.71489 2.506522   60.19331   3.482032 2.521584 4.290361 
1 1 1   -2   10   11 o 21.60524 4.654980  5.305406 1.848649   7.300000 3.600000   3.200000 3.800000   24.64733 6.341274   18.56314   6.816422 6.084187 9.309960 
1 1 1   -2   10   12 o 37.36478 3.009159  15.87397 1.797260   19.30000 4.100000   13.20000 3.200000   40.89483 4.377792   33.83473   4.129781 7.060104 6.018318 
1 1 1   -2   10   13 o 82.50517 1.779315  78.16316 2.368421   77.50000 4.500000   78.90000 5.000000   82.14874 2.391946   82.86160   2.634853 -0.7128677 3.558631 
1 1 1   -2   10   14 o 19.84567 4.297323  4.092537 1.665672   7.800000 3.600000  0.9000000 3.100000   25.29119 6.251206   14.40016   5.898335 10.89103 8.594646 
1 1 1   -2   10   15 o 20.34952 4.150984  4.890625 1.560938   7.000000 2.700000   2.000000 3.700000   24.02272 5.067165   16.67632   6.576208 7.346395 8.301968 
1 1 1   -2   10   16 o 46.08560 2.378488  24.64789 1.774648   24.50000 3.500000   24.80000 3.600000   45.95228 3.325835   46.21892   3.401124 -0.2666359 4.756976 
1 1 1   -2   10   17 o 15.37563 4.480171  1.158333 1.787500  0.7000000 3.300000   1.700000 3.900000   14.33198 5.997413   16.41928   6.657233 -2.087299 8.960341 
1 1 1   -2   10   18 o 24.02977 4.577386  7.423684 1.898684   10.40000 3.900000   4.600000 3.700000   28.48902 6.157207   19.57053   6.774856 8.918482 9.154773 
1 1 1   -2   10   19 o 59.16329 2.165150  41.44146 2.048780   47.10000 4.000000   35.50000 4.200000   63.48019 2.751449   54.84639   3.343805 8.633801 4.330300 
1 1 1   -2   10   20 o 12.44407 4.122041 -2.907317 2.019512  -4.400000 3.600000  -1.000000 4.600000   10.55327 5.075716   14.33487   6.496306 -3.781599 8.244082 
1 1 1   -2   10   21 o 20.28487 4.654527  5.590909 1.909091   8.000000 3.500000   2.700000 4.200000   23.90465 6.303278   16.66509   6.850340 7.239561 9.309053 
1 1 1   -2   10   22 o 22.35005 4.247536  7.321212 1.648485   9.600000 3.200000   4.900000 3.400000   26.32098 5.486537   18.37912   6.485688 7.941866 8.495071 
1 1 1   -2   12    1 o 91.91704 1.964879  96.69231 2.907692   102.4000 6.300000   91.80000 5.400000   94.41412 2.913690   89.41995   2.636933 4.994171 3.929759 
1 1 1   -2   12    2 o 51.37268 2.563764  30.19412 2.110588   24.00000 3.900000   37.50000 4.600000   45.65701 3.729897   57.08835   3.518439 -11.43134 5.127529 
1 1 1   -2   12    3 o 65.75838 2.488628  49.61132 2.634906   47.30000 4.900000   52.30000 5.700000   64.12370 3.336700   67.39306   3.693171 -3.269356 4.977256 
1 1 1   -2   12    4 o 76.70467 2.137087  67.70471 2.646226   69.10000 5.100000   66.20000 5.500000   77.54173 2.871934   75.86761   3.165527 1.674118 4.274174 
1 1 1   -2   12    5 o 52.23705 2.781930  31.50000 2.350000   29.60000 4.700000   33.40000 4.700000   50.64882 4.051989   53.82529   3.812863 -3.176472 5.563860 
1 1 1   -2   12    6 o 27.68526 3.898774  9.575362 1.724638   14.70000 3.400000   4.300000 3.500000   35.67024 4.162101   19.70029   6.593837 15.96995 7.797549 
1 1 1   -2   12    7 o 79.29047 1.733141  72.21461 2.222472   73.30000 4.600000   71.20000 4.300000   79.85921 2.515200   78.72173   2.385138 1.137474 3.466282 
1 1 1   -2   12    8 o 12.43823 4.085571 -2.461842 1.740790  -2.000000 2.700000  -3.300000 4.900000   10.55188 4.855115   14.32458   6.572323 -3.772699 8.171143 
1 1 1   -2   12    9 o 86.62503 1.872069  86.40000 2.622857   86.40000 5.100000   86.40000 5.400000   86.63871 2.570383   86.61135   2.722442 0.2735901E-01 3.744137 
1 1 1   -2   12   10 o 65.11743 2.080738  48.20455 2.159091   41.90000 3.800000   56.50000 5.000000   60.29037 2.752170   69.94449   3.121449 -9.654114 4.161476 
1 1 1   -2   12   11 o 55.27474 2.093445  34.82800 1.848000   43.90000 4.200000   27.70000 3.300000   61.60705 2.976861   48.94243   2.944206 12.66462 4.186890 
1 1 1   -2   12   12 o 20.59192 4.308527  4.898462 1.606154   2.400000 2.900000   8.000000 3.600000   15.88618 5.931957   25.29766   6.250240 -9.411478 8.617054 
1 1 1   -2   12   13 o 43.28124 2.754861  22.07013 1.924675   20.50000 3.900000   23.60000 3.800000   41.70251 4.083591   44.85998   3.698829 -3.157471 5.509723 
1 1 1   -2   12   14 o 15.62899 4.669220  1.031707 1.951220   1.500000 3.200000  0.3000000 5.000000   14.86287 6.028840   16.39511   7.131589 -1.532239 9.338441 
1 1 1   -2   12   15 o 14.94930 4.015441 0.5136364 1.643939   4.600000 3.100000  -4.100000 3.500000   19.19074 6.194663   10.70785   5.110893 8.482895 8.030883 
1 1 1   -2   12   16 o 22.88538 4.921177  7.306024 2.060241   9.000000 3.800000   5.300000 4.500000   25.62808 6.472790   20.14268   7.414507 5.485405 9.842354 
1 1 1   -2   12   17 o 18.91813 4.528537  4.704348 1.721739   2.600000 3.300000   7.000000 3.600000   15.67889 6.201765   22.15735   6.600661 -6.478460 9.057075 
1 1 1   -2   12   18 o 20.57692 4.940856  5.984337 2.050602   7.500000 3.700000   4.100000 4.600000   22.83589 6.662524   18.31795   7.297875 4.517942 9.881711 
1 1 1   -2   14    1 o 21.84966 4.628095  5.762667 1.874667   8.600000 3.800000   3.000000 3.700000   26.05960 6.411258   17.63970   6.676288 8.419901 9.256189 
1 1 1   -2   14    2 o 16.32793 4.629360  1.079747 1.959494  -1.700000 3.600000   4.400000 4.300000   12.65351 5.739393   20.00235   7.265210 -7.348845 9.258720 
1 1 1   -2   14    3 o 43.11913 2.581911  21.78750 1.798611   24.10000 3.700000   19.60000 3.500000   45.36941 3.561052   40.86885   3.739516 4.500561 5.163823 
1 1 1   -2   14    4 o 12.89983 4.064318 -0.9323530 1.663235  -1.700000 2.900000  0.1000000 3.900000   11.11164 5.082688   14.68802   6.343579 -3.576379 8.128635 
1 1 1   -2   14    5 o 43.34431 2.921102  22.18781 2.045122   20.00000 3.900000   24.60000 4.300000   41.09880 4.143575   45.58982   4.118512 -4.491024 5.842205 
1 1 1   -2   14    6 o 22.41855 4.643297  6.353425 1.808219   4.500000 3.300000   8.600000 4.000000   19.18715 6.402735   25.64996   6.726500 -6.462816 9.286593 
1 1 1   -2   14    7 o 17.95530 4.374949  3.278261 1.721739  0.2000000 3.600000   6.100000 3.300000   14.13052 6.098772   21.78007   6.274208 -7.649549 8.749897 
1 1 1   -2   14    8 o 18.30882 4.856851  3.254878 2.045122   5.300000 3.900000   1.000000 4.300000   20.63268 6.960166   15.98496   6.775845 4.647722 9.713701 
1 1 1   -2   14    9 o 19.72542 4.131145  4.464516 1.491935   1.400000 2.500000   9.000000 3.700000   13.42383 5.369430   26.02700   6.279701 -12.60317 8.262289 
1 1 1   -2   14   10 o 13.49543 4.082366 -0.3823528 1.694118   2.900000 3.600000  -3.300000 3.200000   16.62675 6.508194   10.36412   4.930137 6.262631 8.164732 
1 1 1   -2   14   11 o 28.84736 3.784855  10.81304 1.724638   9.900000 3.500000   11.70000 3.400000   27.19166 5.797526   30.50307   4.867155 -3.311403 7.569710 
1 1 1   -2   14   12 o 16.23107 4.333235  1.094872 1.948718   6.600000 3.800000  -4.700000 4.000000   21.45771 6.851392   11.00443   5.307178 10.45328 8.666471 
1 1 1   -2   14   13 o 17.66615 4.822314  3.794872 1.867949   3.000000 3.100000   5.000000 4.700000   15.99992 6.097692   19.33239   7.472417 -3.332461 9.644629 
1 1 1   -2   14   14 o 11.97634 3.929612 -1.757746 1.715493  -3.800000 2.900000   1.200000 4.200000   9.187428 4.452199   14.76525   6.476522 -5.577822 7.859225 
1 1 1   -2   16    1 o 24.29782 4.780722  7.600000 2.280000  0.4000000 3.800000   18.40000 5.700000   13.74488 6.089018   34.85075   7.371911 -21.10587 9.561444 
1 1 1   -2   16    2 o 12.67181 4.155737 -2.822989 2.167816  0.9000000 4.100000  -7.000000 4.600000   14.50765 6.380372   10.83596   5.326488 3.671687 8.311475 
1 1 1   -2   16    3 o 23.25564 5.287277  8.658065 2.322581   10.40000 4.500000   6.800000 4.800000   25.76376 7.295965   20.74753   7.654415 5.016233 10.57455 
1 1 1   -2   16    4 f 19.88612 5.387592  6.066667 2.474747   4.400000 5.000000   7.700000 4.900000   18.12490 7.465166   21.64734   7.770194 -3.522446 10.77518 
1 1 1   -1    1    1 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -1    1    2 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -1    1    3 o 634.0266 7.244661  4611.136 74.23535   4417.400 141.8000   4824.000 155.8000   620.1251 9.984738   647.9280   10.49978 -27.80298 14.48932 
1 1 1   -1    1    4 o 336.9943 4.664657  1301.300 36.00000   1301.300 36.00000          ?        ?   336.9943 4.664657          ?          ?       ?       ? 
1 1 1   -1    1    5 o 423.2353 5.127601  0.000000 0.000000          ?        ?   2052.200 49.70000          ?        ?   423.2353   5.127601       ?       ? 
1 1 1   -1    1    6 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -1    1    7 o 370.9557 3.861857  1564.224 20.73600   1531.500 32.40000   1622.400 57.60000   365.6624 3.869051   376.2491   6.684773 -10.58676 7.723713 
1 1 1   -1    1    8 o 262.1145 2.645483  784.6929 10.24531   777.6000 16.40000   796.5000 27.30000   260.5650 2.748321   263.6640   4.521177 -3.098999 5.290966 
1 1 1   -1    1    9 o 236.5244 2.657532  640.9136 9.485428   640.6000 15.60000   641.4000 24.20000   236.4816 2.880494   236.5673   4.466839 -0.8570862E-01 5.315063 
1 1 1   -1    1   10 o 104.9936 1.221903  126.1687 2.067470   124.9000 3.900000   127.6000 4.400000   104.4330 1.630671   105.5541   1.820192 -1.121063 2.443806 
1 1 1   -1    1   11 o 243.9572 2.284547  681.7950 9.024377   682.4000 18.20000   681.2000 17.90000   244.0637 3.256176   243.8508   3.205299 0.2129364 4.569095 
1 1 1   -1    1   12 o 205.5584 1.877593  483.9216 6.248400   479.1000 12.30000   488.9000 12.70000   204.5185 2.626106   206.5983   2.684212 -2.079758 3.755186 
1 1 1   -1    1   13 o 187.3651 1.755159  401.7254 5.315493   412.2000 11.10000   392.1000 10.20000   189.7052 2.554956   185.0250   2.407185 4.680222 3.510319 
1 1 1   -1    1   14 o 21.82048 3.153614  5.644186 1.060465   5.600000 1.900000   5.700000 2.400000   21.77115 3.956501   21.86981   4.911947 -0.9865952E-01 6.307228 
1 1 1   -1    1   15 o 453.7427 3.874789  2358.714 28.45110   2454.100 58.60000   2268.700 55.30000   462.6469 5.530797   444.8385   5.428283 17.80835 7.749578 
1 1 1   -1    1   16 f 149.0844 1.844102  254.5730 4.444944   253.8000 8.600000   255.4000 9.200000   148.8520 2.522804   149.3169   2.690411 -0.4648590 3.688204 
1 1 1   -1    1   17 o 236.6393 2.316585  641.8817 8.873240   647.6000 17.50000   636.0000 18.00000   237.7125 3.214592   235.5660   3.336565 2.146423 4.633170 
1 1 1   -1    1   18 o 154.6320 1.747193  273.9503 4.374857   274.0000 8.700000   273.9000 8.800000   154.6466 2.456510   154.6174   2.485215 0.2923584E-01 3.494387 
1 1 1   -1    1   19 o 247.2837 2.284948  701.3290 9.148908   707.9000 18.50000   694.9000 18.10000   248.4269 3.251718   246.1405   3.210963 2.286392 4.569896 
1 1 1   -1    1   20 o 144.8044 1.709852  240.8500 4.000000   221.8000 8.000000   259.9000 8.000000   139.0599 2.512047   150.5489   2.320342 -11.48903 3.419703 
1 1 1   -1    1   21 o 49.75530 2.327868  28.44400 1.872000   25.90000 3.600000   31.20000 3.900000   47.43956 3.313611   52.07105   3.270454 -4.631489 4.655737 
1 1 1   -1    1   22 o 23.28246 3.840715  6.552631 1.421053   5.700000 2.700000   7.500000 3.000000   21.68015 5.445363   24.88478   5.417786 -3.204626 7.681430 
1 1 1   -1    1   23 o 51.82167 2.427059  31.53875 1.988750   27.40000 4.300000   35.10000 3.700000   48.53043 3.868958   55.11291   2.931488 -6.582485 4.854118 
1 1 1   -1    1   24 o 15.72881 4.318279  2.098413 1.574603   2.200000 3.200000   2.000000 3.100000   15.93484 6.163931   15.52277   6.049470 0.4120646 8.636559 
1 1 1   -1    1   25 o 37.25198 2.647336  16.54762 1.571429   14.40000 3.300000   18.50000 3.000000   34.79439 4.141374   39.70958   3.298873 -4.915192 5.294672 
1 1 1   -1    1   26 o 32.81993 3.966355  14.71688 1.916883   20.00000 3.600000   8.700000 4.100000   40.68235 3.863992   24.95752   6.928020 15.72483 7.932711 
1 1 1   -1    1   27 o 21.09063 5.038826  5.027907 1.813953   1.400000 2.600000   13.40000 6.000000   13.27578 5.415615   28.90548   8.498835 -15.62970 10.07765 
1 1 1   -1    3    1 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   -1    3    2 o 737.6584 11.75611  6243.900 198.6000   6243.900 198.6000          ?        ?   737.6584 11.75611          ?          ?       ?       ? 
1 1 1   -1    3    3 o 281.0334 2.593109  904.5543 11.79661   901.9000 23.20000   907.3000 24.00000   280.6151 3.610079   281.4517   3.723463 -0.8366089 5.186217 
1 1 1   -1    3    4 o 441.9397 3.841154  2237.928 27.44040   2244.400 56.90000   2231.900 53.00000   442.5452 5.614284   441.3341   5.243824 1.211060 7.682309 
1 1 1   -1    3    5 o 605.1558 5.103258  4197.997 49.98875   4174.500 101.5000   4220.800 98.50000   603.4763 7.344218   606.8354   7.087695 -3.359131 10.20652 
1 1 1   -1    3    6 o 41.48400 0.9707857  19.75000 0.6500000   17.90000 1.300000   21.60000 1.300000   39.53671 1.435762   43.43129   1.307014 -3.894585 1.941571 
1 1 1   -1    3    7 o 410.2402 3.695446  1928.952 24.54959   1917.100 48.90000   1940.900 49.30000   408.9752 5.220975   411.5052   5.231320 -2.530029 7.390892 
1 1 1   -1    3    8 o 275.4094 2.523443  868.9551 11.23911   866.0000 21.80000   872.1000 23.20000   274.9309 3.462364   275.8879   3.671935 -0.9570618 5.046887 
1 1 1   -1    3    9 o 412.5071 3.708912  1951.213 24.77497   1938.800 49.60000   1963.600 49.50000   411.1939 5.267138   413.8203   5.223158 -2.626343 7.417824 
1 1 1   -1    3   10 o 300.7687 2.739293  1036.082 13.27993   1044.600 28.20000   1028.500 25.10000   301.9258 4.078388   299.6116   3.658094 2.314240 5.478586 
1 1 1   -1    3   11 o 60.81330 1.228631  42.61875 1.197917   46.50000 2.300000   38.40000 2.500000   63.72165 1.576088   57.90495   1.885229 5.816704 2.457263 
1 1 1   -1    3   12 o 222.8320 2.154689  568.7289 7.774276   556.3000 15.40000   581.4000 15.70000   220.3736 3.051413   225.2905   3.042961 -4.916977 4.309377 
1 1 1   -1    3   13 o 212.7629 1.951895  518.4785 6.724907   512.7000 13.40000   524.3000 13.50000   211.5728 2.765570   213.9530   2.755212 -2.380280 3.903790 
1 1 1   -1    3   14 o 212.8322 2.305400  516.3727 7.127273   509.5000 11.20000   528.4000 19.60000   210.9165 2.318714   214.7480   3.985353 -3.831482 4.610799 
1 1 1   -1    3   15 o 426.9877 4.246902  2077.766 26.68532   2036.700 42.40000   2147.500 72.00000   421.5252 4.392199   432.4502   7.270028 -10.92496 8.493805 
1 1 1   -1    3   16 o 52.72690 2.146352  30.89583 1.631944   28.50000 2.500000   35.40000 4.700000   49.88042 2.188515   55.57338   3.692927 -5.692963 4.292704 
1 1 1   -1    3   17 o 262.4986 2.828384  783.7514 10.78415   766.2000 16.90000   814.7000 29.80000   258.5723 2.853937   266.4249   4.884062 -7.852570 5.656767 
1 1 1   -1    3   18 o 153.5852 1.996727  269.1984 4.420312   266.0000 6.900000   274.9000 12.30000   152.3690 1.977390   154.8014   3.469524 -2.432449 3.993453 
1 1 1   -1    3   19 o 156.3100 1.942436  283.0750 4.666667   296.2000 8.000000   264.7000 11.20000   160.7508 2.173084   151.8692   3.220239 8.881622 3.884873 
1 1 1   -1    3   20 o 161.3688 2.134257  297.6399 5.139908   292.5000 8.300000   306.0000 13.50000   159.6697 2.269840   163.0679   3.614973 -3.398193 4.268513 
1 1 1   -1    3   21 o 95.38036 1.785224  105.3000 2.625000   108.8000 4.500000   100.4000 6.300000   97.36013 2.018232   93.40060   2.945307 3.959534 3.570448 
1 1 1   -1    3   22 o 101.5919 1.806186  117.5077 2.769231   112.7000 4.500000   125.2000 7.200000   99.03627 1.984074   104.1475   3.018723 -5.111252 3.612373 
1 1 1   -1    3   23 o 72.99200 2.079877  58.25306 2.188776   49.70000 3.300000   75.10000 6.500000   65.66951 2.194269   80.31448   3.533940 -14.64497 4.159754 
1 1 1   -1    3   24 o 34.38374 4.340470  14.46136 1.831818   13.90000 2.600000   15.80000 6.200000   34.44920 3.295595   34.31828   8.031051 0.1309242 8.680941 
1 1 1   -1    3   25 o 15.98664 4.458070  1.866667 1.733333   3.500000 2.600000  -1.400000 5.200000   16.86442 5.682981   15.10887   6.870319 1.755546 8.916141 
1 1 1   -1    3   26 o 23.60925 4.514887  7.971085 1.821687   9.500000 2.700000   4.800000 5.600000   27.65706 4.262824   19.56144   7.960223 8.095629 9.029775 
1 1 1   -1    3   27 o 24.01913 3.868447  8.888608 1.744304   13.20000 2.600000  0.1000000 5.300000   32.83723 3.457375   15.20102   6.921422 17.63622 7.736894 
1 1 1   -1    5    1 o 123.5235 1.500354  174.7842 2.999167   172.7000 6.100000   176.8000 5.900000   122.7985 2.169084   124.2486   2.073482 -1.450035 3.000709 
1 1 1   -1    5    2 o 53.38977 1.129290  32.67436 0.9743590   33.60000 1.900000   31.70000 2.000000   54.16689 1.531650   52.61266   1.659890 1.554226 2.258581 
1 1 1   -1    5    3 o 176.6136 1.864078  357.5765 5.322065   367.0000 10.40000   347.7000 10.90000   179.0007 2.536987   174.2264   2.731820 4.774292 3.728156 
1 1 1   -1    5    4 o 295.2094 2.646235  998.2822 12.64289   985.2000 24.70000   1012.000 25.90000   293.2319 3.678116   297.1869   3.805483 -3.954987 5.292470 
1 1 1   -1    5    5 o 314.8593 2.888178  1136.079 14.72462   1159.900 29.60000   1112.500 29.30000   318.1448 4.062624   311.5737   4.106260 6.571045 5.776356 
1 1 1   -1    5    6 o 53.30844 1.051661  32.75000 0.8972222   35.30000 1.700000   29.90000 1.900000   55.52038 1.337015   51.09651   1.623686 4.423870 2.103322 
1 1 1   -1    5    7 o 232.2194 2.200563  617.7369 8.274321   616.3000 16.40000   619.2000 16.70000   231.9476 3.087405   232.4911   3.136533 -0.5435028 4.401126 
1 1 1   -1    5    8 o 57.67838 1.968339  0.000000 0.000000          ?        ?   38.10000 2.600000          ?        ?   57.67838   1.968339       ?       ? 
1 1 1   -1    5    9 o 412.1113 3.547575  1947.126 23.67371   1917.000 47.00000   1977.700 47.70000   408.8995 5.019044   415.3232   5.015012 -6.423676 7.095150 
1 1 1   -1    5   10 o 343.4530 3.043789  1350.983 16.89808   1374.900 35.20000   1328.900 32.50000   346.3662 4.437587   340.5399   4.167304 5.826355 6.087577 
1 1 1   -1    5   11 o 227.2229 2.419719  591.5688 8.897472   584.4000 18.10000   598.5000 17.50000   225.8666 3.499180   228.5792   3.343036 -2.712585 4.839437 
1 1 1   -1    5   12 o 148.6833 2.584404  0.000000 0.000000          ?        ?   253.2000 8.800000          ?        ?   148.6833   2.584404       ?       ? 
1 1 1   -1    5   13 o 114.5717 1.493799  148.9171 2.736937   135.1000 4.900000   166.4000 6.200000   108.6102 1.969995   120.5333   2.246076 -11.92310 2.987597 
1 1 1   -1    5   14 o 325.9404 2.894031  1217.332 15.27005   1263.600 31.10000   1172.700 30.00000   332.0233 4.090078   319.8575   4.095476 12.16574 5.788062 
1 1 1   -1    5   15 o 375.3256 3.328934  1616.110 20.20247   1625.100 41.80000   1607.700 39.10000   376.3118 4.850295   374.3394   4.560905 1.972443 6.657868 
1 1 1   -1    5   16 o 192.3103 2.086706  423.2442 6.490385   400.6000 12.50000   447.7000 13.50000   186.9690 2.919309   197.6516   2.982450 -10.68254 4.173413 
1 1 1   -1    5   17 o 102.4357 1.584753  120.2857 2.619048   121.0000 5.000000   119.5000 5.500000   102.7593 2.124657   102.1120   2.351936 0.6472168 3.169506 
1 1 1   -1    5   18 o 186.1519 2.016395  397.4914 6.072428   370.9000 11.90000   425.2000 12.40000   179.7910 2.890139   192.5128   2.812559 -12.72185 4.032790 
1 1 1   -1    5   19 o 173.6665 2.445998  346.9301 6.637867   346.0000 11.50000   348.2000 15.70000   173.5224 2.893889   173.8105   3.944239 -0.2881012 4.891995 
1 1 1   -1    5   20 o 25.71037 4.088332  8.804000 1.728000   12.80000 2.700000   1.700000 4.800000   33.30458 3.539969   18.11616   7.370648 15.18842 8.176663 
1 1 1   -1    5   21 o 75.37606 2.055294  67.39166 2.333333   75.10000 4.000000   56.60000 5.600000   80.81977 2.161136   69.93235   3.496630 10.88742 4.110588 
1 1 1   -1    5   22 o 34.82601 3.057581  14.42239 1.629851   15.30000 2.800000   13.20000 3.900000   36.27800 3.370190   33.37403   5.102649 2.903965 6.115162 
1 1 1   -1    5   23 o 17.58631 4.914078  2.191566 1.886747  0.2000000 2.900000   5.900000 5.400000   12.88156 5.515333   22.29106   8.134726 -9.409501 9.828156 
1 1 1   -1    5   24 o 24.65918 4.527662  8.273494 1.886747   10.30000 2.900000   4.500000 5.400000   29.15993 4.342614   20.15843   7.946105 9.001507 9.055324 
1 1 1   -1    5   25 o 43.64198 3.083901  24.00941 2.101177   26.20000 3.800000   21.30000 4.700000   46.48064 3.569860   40.80333   5.029699 5.677315 6.167801 
1 1 1   -1    5   26 o 41.43681 2.831690  21.23158 1.888158   18.10000 3.500000   24.90000 4.100000   38.13743 4.007341   44.73619   4.001884 -6.598759 5.663379 
1 1 1   -1    7    1 o 120.8622 1.405510  167.3218 2.749091   166.1000 5.600000   168.5000 5.400000   120.4282 2.030484   121.2961   1.943957 -0.8678970 2.811020 
1 1 1   -1    7    2 o 213.3911 2.112373  521.4551 7.296918   536.1000 14.90000   507.4000 14.30000   216.3255 3.007587   210.4567   2.966969 5.868820 4.224747 
1 1 1   -1    7    3 o 255.0735 2.299663  744.9711 9.493421   769.5000 19.50000   721.7000 18.50000   259.1613 3.285520   250.9857   3.218566 8.175598 4.599327 
1 1 1   -1    7    4 o 164.0060 1.827293  308.1990 4.847938   312.9000 9.500000   303.3000 9.900000   165.2849 2.509749   162.7271   2.656532 2.557755 3.654586 
1 1 1   -1    7    5 o 339.0659 2.959408  1316.995 16.24446   1342.100 33.10000   1292.800 31.90000   342.2361 4.223202   335.8958   4.146922 6.340332 5.918817 
1 1 1   -1    7    6 o 122.9126 1.521564  172.7339 3.008265   177.3000 6.500000   168.8000 5.600000   124.4207 2.281185   121.4045   2.014156 3.016205 3.043128 
1 1 1   -1    7    7 o 110.2862 1.456262  139.2308 2.596154   141.1000 5.400000   137.5000 5.000000   110.9983 2.124306   109.5741   1.992515 1.424187 2.912524 
1 1 1   -1    7    8 o 336.3885 3.102692  1294.287 16.76296   1328.300 36.50000   1265.400 31.00000   340.4512 4.681421   332.3257   4.073216 8.125488 6.205384 
1 1 1   -1    7    9 f 118.6016 1.406534  161.1500 2.700000   167.1000 5.400000   155.2000 5.400000   120.7922 1.952066   116.4110   2.025534 4.381233 2.813068 
1 1 1   -1    7   10 o 332.2768 3.006142  1265.392 16.17403   1264.400 32.10000   1266.400 32.60000   332.1477 4.220009   332.4059   4.282414 -0.2581177 6.012283 
1 1 1   -1    7   11 o 205.3835 2.023026  483.0762 6.713755   487.5000 14.00000   479.0000 12.90000   206.2832 2.963493   204.4838   2.754676 1.799362 4.046051 
1 1 1   -1    7   12 o 143.1141 1.634068  235.0848 3.766887   243.0000 7.200000   226.4000 7.900000   145.6493 2.158558   140.5789   2.453842 5.070374 3.268136 
1 1 1   -1    7   13 o 362.0899 3.295342  1503.223 19.30142   1554.400 40.00000   1455.500 37.30000   368.0258 4.745932   356.1540   4.573101 11.87183 6.590684 
1 1 1   -1    7   14 o 103.6287 1.564048  122.9457 2.622857   117.7000 5.100000   128.5000 5.400000   101.3551 2.197173   105.9023   2.226527 -4.547241 3.128097 
1 1 1   -1    7   15 o 164.4944 2.027109  309.8755 5.388426   300.1000 10.30000   320.6000 11.30000   161.7840 2.779978   167.2047   2.951002 -5.420731 4.054219 
1 1 1   -1    7   16 o 139.3933 1.772485  222.8794 3.999375   220.5000 8.100000   225.2000 7.900000   138.6544 2.550886   140.1322   2.461664 -1.477798 3.544970 
1 1 1   -1    7   17 o 28.99131 4.303084  10.24375 1.998750   13.90000 3.900000   6.400000 4.100000   34.66885 4.912074   23.31377   7.066658 11.35508 8.606168 
1 1 1   -1    7   18 o 89.60688 1.967287  92.47018 2.849123   88.40000 5.800000   96.40000 5.600000   87.65059 2.889435   91.56317   2.670588 -3.912582 3.934574 
1 1 1   -1    7   19 o 17.24364 4.546887  2.020000 1.872000   4.900000 3.600000  -1.100000 3.900000   20.55213 6.679307   13.93515   6.171192 6.616979 9.093775 
1 1 1   -1    7   20 o 60.65725 1.917357  42.64800 1.872000   45.00000 3.600000   40.10000 3.900000   62.44297 2.517437   58.87153   2.892671 3.571438 3.834714 
1 1 1   -1    7   21 o 12.81565 4.085061 -1.480556 1.798611  -2.200000 3.700000 -0.8000000 3.500000   12.46027 5.714803   13.17104   5.838829 -0.7107782 8.170122 
1 1 1   -1    7   22 o 21.65310 4.174960  5.864706 1.694118   9.300000 3.200000   2.000000 3.600000   27.24658 5.319231   16.05963   6.436377 11.18694 8.349920 
1 1 1   -1    7   23 o 54.14581 2.125867  34.80540 1.837838   36.00000 3.400000   33.40000 4.000000   55.33879 2.682804   52.95282   3.298455 2.385963 4.251734 
1 1 1   -1    7   24 o 20.20730 4.323624  5.611765 1.647059   7.300000 2.800000   3.200000 4.000000   23.38987 5.344130   17.02473   6.798174 6.365147 8.647248 
1 1 1   -1    7   25 o 26.55908 4.978344  10.50909 2.007955   9.100000 3.100000   13.10000 5.700000   25.61101 5.452589   27.50716   8.330962 -1.896151 9.956689 
1 1 1   -1    9    1 o 101.4722 1.628672  117.9757 2.674767   120.7000 5.300000   115.2000 5.400000   102.6559 2.254404   100.2886   2.351158 2.367271 3.257343 
1 1 1   -1    9    2 o 320.6754 2.874559  1177.180 14.88978   1210.000 31.30000   1147.400 28.40000   324.9243 4.206315   316.4264   3.919091 8.497925 5.749117 
1 1 1   -1    9    3 o 258.7675 2.369582  767.2499 9.917380   769.0000 19.30000   765.4000 20.40000   259.0754 3.252900   258.4594   3.446494 0.6159973 4.739164 
1 1 1   -1    9    4 o 210.4289 2.237995  507.3774 7.624918   499.0000 15.30000   515.7000 15.20000   208.6958 3.201233   212.1620   3.128352 -3.466156 4.475990 
1 1 1   -1    9    5 o 135.2515 1.657706  209.2504 3.604138   213.5000 7.800000   205.6000 6.700000   136.5235 2.494749   133.9794   2.183617 2.544144 3.315412 
1 1 1   -1    9    6 o 232.9944 2.286150  622.0739 8.624348   624.8000 17.10000   619.3000 17.40000   233.5111 3.197630   232.4776   3.268194 1.033569 4.572300 
1 1 1   -1    9    7 o 158.5821 1.733342  288.1090 4.447753   287.7000 9.100000   288.5000 8.700000   158.4703 2.507456   158.6939   2.393860 -0.2236328 3.466684 
1 1 1   -1    9    8 o 331.3846 3.042593  1259.820 16.32190   1264.800 32.20000   1254.700 33.10000   332.0583 4.234296   330.7109   4.370380 1.347412 6.085186 
1 1 1   -1    9    9 o 265.5587 2.599975  808.0692 11.15034   797.3000 21.30000   819.9000 23.40000   263.7168 3.526806   267.4007   3.821141 -3.683899 5.199950 
1 1 1   -1    9   10 f 155.0664 1.834352  275.5147 4.586413   274.9000 8.700000   276.2000 9.700000   154.8898 2.452653   155.2430   2.728347 -0.3531494 3.668703 
1 1 1   -1    9   11 o 157.0958 1.986515  282.4317 5.025743   274.8000 9.400000   291.2000 10.80000   154.8300 2.651017   159.3617   2.959236 -4.531677 3.973030 
1 1 1   -1    9   12 o 100.9774 1.681881  116.8127 2.746364   114.5000 5.300000   119.3000 5.700000   99.94373 2.315581   102.0111   2.439872 -2.067383 3.363762 
1 1 1   -1    9   13 o 74.11964 1.833613  62.60000 2.171591   58.70000 3.900000   67.50000 4.900000   71.54299 2.380330   76.69628   2.789726 -5.153290 3.667225 
1 1 1   -1    9   14 o 160.9658 1.860731  297.5500 4.850000   300.9000 9.700000   294.2000 9.700000   161.8745 2.616573   160.0570   2.646286 1.817520 3.721462 
1 1 1   -1    9   15 o 58.68484 2.303797  39.83793 2.167816   42.10000 4.100000   37.30000 4.600000   60.49002 2.959646   56.87967   3.531348 3.610352 4.607594 
1 1 1   -1    9   16 o 111.2200 1.809438  142.2615 3.230769   141.8000 6.000000   142.8000 7.000000   111.0631 2.358962   111.3769   2.744369 -0.3137970 3.618876 
1 1 1   -1    9   17 f 17.08155 4.656025  2.412329 1.821918   2.700000 3.500000   2.100000 3.800000   17.24414 6.501350   16.91896   6.666838 0.3251743 9.312051 
1 1 1   -1    9   18 o 18.75783 4.690288  3.767123 1.797260   4.600000 3.200000   2.700000 4.100000   19.63655 6.289104   17.87910   6.960056 1.757452 9.380576 
1 1 1   -1    9   19 o 25.59042 3.852057  8.336508 1.565079   5.800000 3.400000   10.50000 2.900000   21.42677 6.421893   29.75407   4.255899 -8.327299 7.704115 
1 1 1   -1    9   20 o 29.44746 3.758220  11.10000 1.700000   6.900000 3.400000   15.30000 3.400000   23.07304 6.270576   35.82187   4.144483 -12.74883 7.516439 
1 1 1   -1    9   21 o 14.78908 4.068154  2.146429 1.392857   2.100000 2.600000   2.200000 3.000000   14.46990 5.567576   15.10827   5.933094 -0.6383724 8.136308 
1 1 1   -1    9   22 o 18.71328 3.937192  3.436232 1.724638  -2.600000 3.500000   9.300000 3.400000   11.26863 5.298439   26.15793   5.825159 -14.88930 7.874385 
1 1 1   -1    9   23 o 29.46761 4.329767  12.22625 1.938750   10.70000 3.300000   14.40000 4.700000   27.93699 5.352779   30.99823   6.807002 -3.061234 8.659534 
1 1 1   -1   11    1 o 73.83904 2.028613  62.45464 2.422680   67.30000 5.000000   57.90000 4.700000   76.61551 2.849660   71.06258   2.887996 5.552933 4.057226 
1 1 1   -1   11    2 o 22.78445 5.174037  5.828736 2.167816   6.300000 4.100000   5.300000 4.600000   23.30377 7.067336   22.26514   7.558797 1.038624 10.34807 
1 1 1   -1   11    3 o 40.13047 4.001607  18.53173 2.599039   17.60000 5.100000   19.50000 5.300000   39.10085 5.695393   41.16010   5.622626 -2.059246 8.003214 
1 1 1   -1   11    4 o 39.84209 4.175119  18.25769 2.552885   12.20000 4.500000   26.20000 5.900000   31.97253 6.369462   47.71165   5.399671 -15.73912 8.350239 
1 1 1   -1   11    5 o 85.15352 2.042704  83.43571 2.785714   86.50000 5.200000   79.90000 6.000000   86.85568 2.614236   83.45135   3.139479 3.404327 4.085408 
1 1 1   -1   11    6 o 176.2680 2.057823  356.0715 5.866383   370.4000 12.20000   342.8000 11.30000   179.6735 2.964937   172.8625   2.854417 6.810974 4.115647 
1 1 1   -1   11    7 o 71.32649 2.220524  58.66275 2.549020   64.30000 5.000000   52.80000 5.200000   74.85027 2.916865   67.80270   3.348853 7.047569 4.441049 
1 1 1   -1   11    8 o 128.5765 1.923657  188.7300 3.949375   179.5000 7.100000   200.3000 8.900000   125.0792 2.478638   132.0738   2.942477 -6.994606 3.847313 
1 1 1   -1   11    9 o 33.37598 3.903788  13.14878 2.048780   11.10000 4.000000   15.30000 4.200000   30.39694 5.959067   36.35501   5.044576 -5.958071 7.807575 
1 1 1   -1   11   10 o 16.79300 3.664614  1.635593 1.474576   6.600000 2.900000  -3.500000 3.000000   23.36977 5.508565   10.21622   4.834595 13.15355 7.329229 
1 1 1   -1   11   11 o 69.10253 1.921149  54.90697 2.148837   53.10000 4.200000   56.80000 4.400000   67.94104 2.699335   70.26402   2.734383 -2.322983 3.842299 
1 1 1   -1   11   12 o 23.50081 3.875413  6.632759 1.422414   5.900000 2.500000   7.600000 3.300000   22.05435 5.057545   24.94726   5.873377 -2.892910 7.750827 
1 1 1   -1   11   13 o 25.43485 4.243579  7.963768 1.724638   7.000000 3.500000   8.900000 3.400000   23.86403 6.308414   27.00567   5.677656 -3.141634 8.487159 
1 1 1   -1   11   14 f 15.57104 4.157276  1.543750 1.585938   3.900000 2.900000  -1.300000 3.500000   18.28945 5.997351   12.85263   5.758781 5.436822 8.314552 
1 1 1   -1   11   15 o 24.28986 4.110744  6.898551 1.663768   2.800000 2.800000   12.90000 4.100000   16.28983 5.870904   32.28989   5.755462 -16.00006 8.221488 
1 1 1   -1   11   16 o 24.36175 3.703710  7.347368 1.403509   5.900000 2.500000   9.200000 3.200000   21.65410 5.121567   27.06940   5.351580 -5.415295 7.407419 
1 1 1   -1   11   17 o 22.20804 4.238006  6.461194 1.656716   8.700000 3.000000   3.700000 3.700000   26.26560 5.171463   18.15048   6.715559 8.115124 8.476011 
1 1 1   -1   11   18 f 20.44931 4.118875  5.520339 1.474576   3.800000 2.900000   7.300000 3.000000   17.39997 5.999339   23.49866   5.645215 -6.098694 8.237749 
1 1 1   -1   11   19 o 11.50469 3.720664 -1.245161 1.543548 -0.5000000 3.300000  -1.900000 2.900000   12.44691 5.583363   10.56247   4.919290 1.884439 7.441328 
1 1 1   -1   11   20 o 15.20939 4.523590 0.7952381 2.098809  -3.300000 4.300000   4.700000 4.100000   12.01745 5.716152   18.40132   7.012637 -6.383871 9.047180 
1 1 1   -1   13    1 o 37.85053 4.001369  18.05000 2.200000   9.600000 4.400000   26.50000 4.400000   27.89821 6.920256   47.80285   4.019190 -19.90464 8.002739 
1 1 1   -1   13    2 o 69.76395 1.863809  56.05357 2.089286   56.10000 3.900000   56.00000 4.500000   69.82366 2.438943   69.70422   2.818987 0.1194382 3.727618 
1 1 1   -1   13    3 o 17.29995 4.853452  2.088889 2.000000   2.000000 3.600000   2.200000 4.500000   16.52713 6.496476   18.07277   7.212474 -1.545637 9.706903 
1 1 1   -1   13    4 o 20.07430 4.886459  4.446754 1.916883   4.400000 3.600000   4.500000 4.100000   19.78775 6.687053   20.36085   7.126939 -0.5731030 9.772919 
1 1 1   -1   13    5 o 28.75159 4.253029  10.11282 1.948718   7.600000 4.000000   12.50000 3.800000   24.84165 6.822307   32.66152   5.080271 -7.819872 8.506058 
1 1 1   -1   13    6 o 44.87085 2.714101  23.11013 1.936709   20.70000 3.400000   26.30000 4.500000   42.24343 3.514466   47.49827   4.136894 -5.254837 5.428201 
1 1 1   -1   13    7 o 67.67844 1.951188  52.97647 2.101177   53.20000 3.800000   52.70000 4.700000   67.90745 2.443464   67.44942   3.042701 0.4580307 3.902377 
1 1 1   -1   13    8 o 47.13993 2.962635  26.10667 2.240000   26.90000 4.200000   25.20000 4.800000   48.00059 3.820695   46.27927   4.528919 1.721321 5.925270 
1 1 1   -1   13    9 o 32.26722 3.398191  12.35211 1.774648   12.20000 3.600000   12.50000 3.500000   32.04794 4.905034   32.48650   4.704407 -0.4385529 6.796381 
1 1 1   -1   13   10 o 30.53822 4.139941  11.63250 1.988750   16.90000 4.300000   7.100000 3.700000   37.52489 5.003670   23.55154   6.596949 13.97335 8.279882 
1 1 1   -1   13   11 o 47.95445 2.484102  27.09351 1.916883   27.00000 3.600000   27.20000 4.100000   47.95380 3.278077   47.95510   3.733264 -0.1300812E-02 4.968204 
1 1 1   -1   13   12 o 25.49212 4.451223  8.606667 1.834667   10.10000 3.200000   6.600000 4.300000   28.45353 5.098062   22.53072   7.298171 5.922806 8.902446 
1 1 1   -1   13   13 o 55.06711 2.585218  36.48261 2.295652   35.70000 4.800000   37.20000 4.400000   54.35392 3.856116   55.78029   3.444384 -1.426369 5.170436 
1 1 1   -1   13   14 o 30.20350 4.251050  12.44691 2.024691   16.20000 4.000000   8.600000 4.100000   35.87259 4.868968   24.53441   6.969855 11.33819 8.502101 
1 1 1   -1   13   15 o 12.33359 4.147655 -3.782022 2.202247  -5.400000 4.000000  -1.800000 4.900000   10.68325 5.189030   13.98393   6.471949 -3.300681 8.295309 
1 1 1   -1   13   16 o 15.13978 4.269723 0.4400000 1.872000   5.900000 3.900000  -4.600000 3.600000   20.05828 6.954877   10.22128   4.954980 9.836995 8.539446 
1 1 1   -1   15    1 o 11.82661 3.913244 -2.759211 1.867105  -1.500000 3.300000  -4.400000 4.300000   11.80979 5.409319   11.84344   5.656252 -0.3364849E-01 7.826488 
1 1 1   -1   15    2 o 14.97963 3.778368  1.408333 1.458333   4.700000 2.500000  -3.200000 3.500000   18.92830 5.463407   11.03095   5.220673 7.897345 7.556735 
1 1 1   -1   15    3 o 12.69084 3.969644 -0.6545455 1.648485   1.200000 3.400000  -2.400000 3.200000   14.43389 6.066540   10.94778   5.121464 3.486110 7.939289 
1 1 1   -1   15    4 o 24.02510 5.072731  8.072632 2.343158   11.30000 4.200000   4.000000 5.300000   28.81027 6.517981   19.23993   7.774723 9.570337 10.14546 
1 1 1   -1   15    5 o 23.41822 4.653209  7.427027 1.763514   6.800000 2.900000   8.400000 4.500000   22.62896 5.621159   24.20748   7.417006 -1.578516 9.306417 
1 1 1   -1   15    6 o 13.57561 4.286954 -0.2454545 1.924675 -0.6000000 3.900000  0.1000000 3.800000   13.36965 6.027192   13.78157   6.097940 -0.4119148 8.573909 
1 1 1   -1   15    7 o 12.35727 4.200523 -4.667010 2.393815  -4.800000 4.300000  -4.500000 5.400000   11.46381 5.522103   13.25073   6.331189 -1.786923 8.401046 
1 1 1   -1   15    8 o 18.50501 5.115846  2.800000 2.454545  -2.200000 4.500000   8.800000 5.400000   13.18102 6.135170   23.82900   8.188236 -10.64799 10.23169 
1 1 1   -1   15    9 o 11.96942 3.937315 -1.908333 1.750000  -3.200000 3.000000 -0.1000000 4.200000   9.863000 4.714328   14.07583   6.307529 -4.212831 7.874630 
1 1 1   -1   15   10 o 25.32037 4.634119  9.442857 1.916883   7.900000 3.600000   11.20000 4.100000   23.06790 6.523327   27.57285   6.583801 -4.504953 9.268238 
1 1 1    0    0    1 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    0    0    2 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    0    0    3 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    0    0    4 o 39.83061 0.9880285  18.20000 0.9000000   18.20000 0.9000000   18.20000 0.9000000   39.83061 0.9880285   39.83061  0.9880285 -0.000000 0.000000 
1 1 1    0    0    5 o 191.3114 2.808763  419.4000 12.30000   419.4000 12.30000   419.4000 12.30000   191.3114 2.808763   191.3114   2.808763 -0.000000 0.000000 
1 1 1    0    0    6 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    0    0    7 o 738.9088 8.559506  6258.800 144.8000   6258.800 144.8000   6258.800 144.8000   738.9088 8.559506   738.9088   8.559506 -0.000000 0.000000 
1 1 1    0    0    8 o 342.7021 4.257164  1345.800 33.40000   1345.800 33.40000   1345.800 33.40000   342.7021 4.257164   342.7021   4.257164 -0.000000 0.000000 
1 1 1    0    0    9 o 256.2304 3.170822  752.3000 18.60000   752.3000 18.60000   752.3000 18.60000   256.2304 3.170822   256.2304   3.170822 0.000000 0.000000 
1 1 1    0    0   10 o 235.1600 3.083561  633.7000 16.60000   633.7000 16.60000   633.7000 16.60000   235.1600 3.083561   235.1600   3.083561 0.000000 0.000000 
1 1 1    0    0   11 o 186.8614 2.524773  400.1000 10.80000   400.1000 10.80000   400.1000 10.80000   186.8614 2.524773   186.8614   2.524773 0.000000 0.000000 
1 1 1    0    0   12 o 276.0049 3.529293  873.0000 22.30000   873.0000 22.30000   873.0000 22.30000   276.0049 3.529293   276.0049   3.529293 -0.000000 0.000000 
1 1 1    0    0   13 o 284.0720 3.490478  924.7000 22.70000   924.7000 22.70000   924.7000 22.70000   284.0720 3.490478   284.0720   3.490478 0.000000 0.000000 
1 1 1    0    0   14 o 132.5528 2.340532  201.4000 7.100000   201.4000 7.100000   201.4000 7.100000   132.5528 2.340532   132.5528   2.340532 0.000000 0.000000 
1 1 1    0    0   15 f 217.9585 3.026436  544.4000 15.10000   544.4000 15.10000   544.4000 15.10000   217.9585 3.026436   217.9585   3.026436 0.000000 0.000000 
1 1 1    0    0   16 f 113.8886 2.148802  148.7000 5.600000   148.7000 5.600000   148.7000 5.600000   113.8886 2.148802   113.8886   2.148802 -0.000000 0.000000 
1 1 1    0    0   17 o 130.2764 2.448743  194.6000 7.300000   194.6000 7.300000   194.6000 7.300000   130.2764 2.448743   130.2764   2.448743 0.000000 0.000000 
1 1 1    0    0   18 o 238.9439 3.309100  654.5000 18.10000   654.5000 18.10000   654.5000 18.10000   238.9439 3.309100   238.9439   3.309100 0.000000 0.000000 
1 1 1    0    0   19 o 32.27110 6.212317  13.20000 4.100000   13.20000 4.100000   13.20000 4.100000   32.27110 6.212317   32.27110   6.212317 0.000000 0.000000 
1 1 1    0    0   20 o 92.77192 2.262290  98.80000 4.800000   98.80000 4.800000   98.80000 4.800000   92.77192 2.262290   92.77192   2.262290 -0.000000 0.000000 
1 1 1    0    0   21 o 62.16987 2.751470  44.60000 3.900000   44.60000 3.900000   44.60000 3.900000   62.16987 2.751470   62.16987   2.751470 0.000000 0.000000 
1 1 1    0    0   22 o 10.93246 6.740287  1.100000 3.300000   1.100000 3.300000   1.100000 3.300000   10.93246 6.740287   10.93246   6.740287 0.000000 0.000000 
1 1 1    0    0   23 o 67.43783 2.533343  52.50000 3.900000   52.50000 3.900000   52.50000 3.900000   67.43783 2.533343   67.43783   2.533343 0.000000 0.000000 
1 1 1    0    0   24 o 26.71698 6.200507  9.600000 3.300000   9.600000 3.300000   9.600000 3.300000   26.71698 6.200507   26.71698   6.200507 0.000000 0.000000 
1 1 1    0    0   25 o 51.16367 3.186080  30.70000 3.700000   30.70000 3.700000   30.70000 3.700000   51.16367 3.186080   51.16367   3.186080 -0.000000 0.000000 
1 1 1    0    0   26 o 9.153808 6.327714 -2.700000 4.500000  -2.700000 4.500000  -2.700000 4.500000   9.153808 6.327714   9.153808   6.327714 -0.000000 0.000000 
1 1 1    0    0   27 o 25.24295 5.304152  8.600000 2.700000   8.600000 2.700000   8.600000 2.700000   25.24295 5.304152   25.24295   5.304152 0.000000 0.000000 
1 1 1    0    2    0 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    0    2    1 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    0    2    2 o 140.4871 1.373093  225.4944 3.115200   213.6000 5.900000   238.8000 6.600000   136.5717 1.886388   144.4024   1.995764 -7.830673 2.746185 
1 1 1    0    2    3 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    0    2    4 o 269.1783 2.500758  829.3133 10.88532   847.3000 22.60000   812.6000 21.00000   271.9907 3.628224   266.3660   3.442550 5.624695 5.001516 
1 1 1    0    2    5 o 385.7757 3.394906  1705.396 21.19422   1684.100 43.10000   1726.000 41.70000   383.4011 4.908667   388.1502   4.691113 -4.749115 6.789813 
1 1 1    0    2    6 o 669.9729 6.691853  5197.194 71.17535   5633.500 131.9000   4685.800 154.6000   700.9473 8.216732   638.9985   10.56451 61.94879 13.38371 
1 1 1    0    2    7 o 486.0425 4.151361  2707.091 32.66809   2676.000 64.40000   2739.100 66.30000   483.2143 5.819502   488.8706   5.921875 -5.656342 8.302723 
1 1 1    0    2    8 o 185.9386 2.653681  396.0000 11.30000   396.0000 11.30000          ?        ?   185.9386 2.653681          ?          ?       ?       ? 
1 1 1    0    2    9 o 192.8715 1.882474  426.1153 5.866383   426.5000 11.30000   425.7000 12.20000   192.9645 2.557059   192.7784   2.763383 0.1860657 3.764948 
1 1 1    0    2   10 o 324.8651 3.429920  1211.442 17.20859   1219.200 29.30000   1200.400 41.70000   326.1881 3.922285   323.5419   5.627885 2.646210 6.859840 
1 1 1    0    2   11 o 185.0909 2.713017  392.4000 11.50000   392.4000 11.50000          ?        ?   185.0909 2.713017          ?          ?       ?       ? 
1 1 1    0    2   12 f 90.15997 1.403335  92.69241 1.807595   91.70000 2.800000   94.50000 5.100000   89.48570 1.366294   90.83425   2.451660 -1.348549 2.806670 
1 1 1    0    2   13 o 309.2683 3.213687  1079.825 14.22624   1040.300 21.90000   1153.100 40.60000   301.3645 3.173158   317.1721   5.589472 -15.80756 6.427374 
1 1 1    0    2   14 o 64.12802 1.549035  46.92581 1.419355   46.50000 2.200000   47.70000 4.000000   63.72254 1.507542   64.53349   2.706541 -0.8109512 3.098071 
1 1 1    0    2   15 o 457.4633 4.475322  2408.802 29.87305   2430.400 47.50000   2372.200 80.50000   460.4665 4.504383   454.4601   7.734635 6.006439 8.950644 
1 1 1    0    2   16 o 254.5088 2.797371  730.8461 10.26949   701.1000 15.90000   785.1000 29.00000   247.3771 2.806579   261.6404   4.839861 -14.26324 5.594742 
1 1 1    0    2   17 o 221.2343 2.410343  563.3414 7.992559   571.1000 13.10000   551.2000 20.50000   223.2525 2.562210   219.2161   4.083392 4.036392 4.820685 
1 1 1    0    2   18 o 146.4487 1.888887  242.1079 4.187571   228.7000 6.800000   263.6000 10.90000   141.2797 2.101691   151.6176   3.139183 -10.33788 3.777773 
1 1 1    0    2   19 o 47.11523 2.859471  24.92299 2.071265   22.50000 3.400000   28.70000 5.300000   44.27661 3.353083   49.95386   4.632832 -5.677246 5.718942 
1 1 1    0    2   20 o 141.6508 2.054885  229.5294 4.336957   226.6000 7.000000   234.3000 11.40000   140.5588 2.174602   142.7428   3.487307 -2.184082 4.109769 
1 1 1    0    2   21 o 100.1700 1.873365  113.6100 2.836667   107.4000 4.600000   123.6000 7.400000   96.72944 2.076533   103.6106   3.118654 -6.881180 3.746731 
1 1 1    0    2   22 o 56.10857 2.333896  36.21687 1.966265   35.60000 3.200000   37.20000 5.100000   55.60395 2.512951   56.61319   3.933619 -1.009235 4.667792 
1 1 1    0    2   23 o 46.07431 2.798377  23.37037 1.688889   21.00000 2.400000   29.00000 5.700000   42.65300 2.456978   49.49561   5.028609 -6.842609 5.596754 
1 1 1    0    2   24 o 22.56891 4.410134  6.101492 1.510448   4.900000 2.300000   8.400000 4.400000   19.79868 5.055062   25.33914   7.227964 -5.540457 8.820268 
1 1 1    0    2   25 o 28.52215 3.680108  10.21970 1.625758   10.00000 2.900000   10.50000 3.700000   28.68196 4.414981   28.36233   5.889034 0.3196316 7.360216 
1 1 1    0    2   26 o 43.77942 2.456324  22.59143 1.698571   18.20000 2.900000   28.80000 4.100000   38.91934 3.253660   48.63950   3.680734 -9.720161 4.912648 
1 1 1    0    2   27 f 15.87833 4.427167  2.904348 1.695652   3.600000 3.000000   2.000000 3.900000   16.50506 6.057176   15.25160   6.458318 1.253466 8.854335 
1 1 1    0    4    0 o 624.8346 7.338226  4475.601 74.24835   4475.300 149.2000   4475.900 147.8000   624.8103 10.42702   624.8589   10.32838 -0.4858398E-01 14.67645 
1 1 1    0    4    1 o 335.3568 2.881768  1288.174 15.64936   1276.300 31.10000   1300.200 31.50000   333.8015 4.068289   336.9120   4.082571 -3.110474 5.763537 
1 1 1    0    4    2 o 632.6197 5.141825  4587.144 52.67499   4599.800 105.4000   4574.500 105.3000   633.4926 7.265054   631.7468   7.278218 1.745728 10.28365 
1 1 1    0    4    3 o 747.4977 7.561928  6377.559 86.28088   6239.700 143.1000   6586.900 217.3000   737.6824 8.470518   757.3130   12.52922 -19.63068 15.12386 
1 1 1    0    4    4 o 297.2413 2.824655  1011.605 13.51860   1020.600 28.90000   1003.700 25.40000   298.4744 4.227957   296.0083   3.746878 2.466095 5.649311 
1 1 1    0    4    5 o 228.5158 2.176570  598.0587 8.038820   595.7000 15.50000   600.6000 16.70000   228.0505 2.967840   228.9810   3.184613 -0.9305725 4.353140 
1 1 1    0    4    6 o 186.6239 1.879734  399.2180 5.672247   389.1000 11.60000   408.9000 11.10000   184.3062 2.748260   188.9416   2.565282 -4.635391 3.759468 
1 1 1    0    4    7 o 159.7531 1.711592  292.4565 4.424859   282.4000 8.900000   302.4000 8.800000   157.0195 2.475004   162.4867   2.364855 -5.467148 3.423184 
1 1 1    0    4    8 o 209.7612 2.120869  503.8937 7.187500   500.3000 13.80000   507.8000 15.00000   208.9843 2.883402   210.5380   3.111003 -1.553741 4.241738 
1 1 1    0    4    9 o 358.8817 3.304435  1475.997 19.18698   1484.000 39.40000   1468.400 37.40000   359.8219 4.781326   357.9414   4.562463 1.880493 6.608869 
1 1 1    0    4   10 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    0    4   11 o 403.4714 3.590889  1866.443 23.43465   1854.700 48.10000   1877.600 45.70000   402.2207 5.221802   404.7222   4.930590 -2.501465 7.181778 
1 1 1    0    4   12 o 343.9336 3.000047  1354.889 16.67066   1367.600 34.80000   1343.200 32.00000   345.4733 4.398499   342.3940   4.080972 3.079285 6.000093 
1 1 1    0    4   13 o 370.4061 3.280102  1572.134 19.66963   1591.600 40.00000   1553.300 38.70000   372.6584 4.686934   368.1539   4.590091 4.504486 6.560205 
1 1 1    0    4   14 o 141.3913 2.625041  229.0000 8.500000   229.0000 8.500000          ?        ?   141.3913 2.625041          ?          ?       ?       ? 
1 1 1    0    4   15 o 70.91816 1.743115  57.65000 2.000000   60.50000 4.000000   54.80000 4.000000   72.67296 2.403404   69.16336   2.525362 3.509598 3.486231 
1 1 1    0    4   16 o 162.7812 2.130693  304.4395 5.139908   306.8000 8.300000   300.6000 13.50000   163.6461 2.214686   161.9162   3.640684 1.729813 4.261387 
1 1 1    0    4   17 o 40.63551 3.125248  20.10526 1.852632   24.40000 3.200000   14.20000 4.400000   46.13115 3.028973   35.13988   5.467543 10.99127 6.250496 
1 1 1    0    4   18 o 135.5685 2.047792  210.5621 4.045977   209.9000 6.400000   211.7000 11.00000   135.3343 2.064961   135.8026   3.536912 -0.4683228 4.095584 
1 1 1    0    4   19 o 184.8551 2.489593  393.9634 6.658537   397.0000 10.50000   388.7000 18.20000   186.0186 2.464748   183.6917   4.326350 2.326981 4.979186 
1 1 1    0    4   20 o 32.49723 3.101380  11.49091 1.527273   8.800000 2.400000   16.20000 4.200000   27.61749 3.794606   37.37696   4.906649 -9.759470 6.202760 
1 1 1    0    4   21 f 152.2904 2.101508  268.4204 4.750248   271.6000 7.700000   263.3000 12.40000   153.7166 2.187306   150.8641   3.589017 2.852570 4.203017 
1 1 1    0    4   22 o 47.88079 2.259967  26.57429 1.748571   24.00000 3.400000   29.30000 3.600000   45.48141 3.264260   50.28018   3.126406 -4.798771 4.519935 
1 1 1    0    4   23 o 19.42697 4.222340  4.244118 1.676471   7.200000 3.000000  0.5000000 3.800000   23.95553 5.573260   14.89840   6.344399 9.057126 8.444680 
1 1 1    0    4   24 o 18.43854 4.198874  3.332000 1.728000   6.500000 2.700000  -2.300000 4.800000   22.66118 5.297551   14.21589   6.515990 8.445286 8.397748 
1 1 1    0    4   25 o 20.86767 4.109741  4.830233 2.009302   10.30000 3.200000  -4.400000 5.400000   28.23769 5.137619   13.49766   6.415976 14.74003 8.219481 
1 1 1    0    4   26 o 29.45161 4.546157  13.16000 2.178889   17.60000 3.700000   6.800000 5.300000   37.55305 4.302256   21.35018   8.010041 16.20287 9.092314 
1 1 1    0    6    0 o 84.51469 1.590439  81.81379 2.172414   82.20000 4.200000   81.40000 4.500000   84.72173 2.164682   84.30765   2.330694 0.4140854 3.180878 
1 1 1    0    6    1 o 47.35091 1.304726  25.55000 0.9900000   24.20000 1.800000   27.20000 2.200000   45.96848 1.709827   48.73335   1.971225 -2.764870 2.609451 
1 1 1    0    6    2 o 72.76692 1.190222  60.70536 1.398214   62.20000 2.700000   59.10000 2.900000   73.69740 1.599747   71.83644   1.762759 1.860962 2.380443 
1 1 1    0    6    3 o 53.92466 1.174531  33.28780 1.024390   30.80000 2.000000   35.90000 2.100000   51.85995 1.683983   55.98936   1.637772 -4.129410 2.349063 
1 1 1    0    6    4 o 418.5035 3.489919  2005.852 23.60772   1957.200 45.30000   2058.800 49.30000   413.2221 4.786900   423.7849   5.079736 -10.56274 6.979837 
1 1 1    0    6    5 o 77.86892 1.306765  68.90909 1.636364   79.00000 3.600000   60.50000 3.000000   83.05490 1.892679   72.68294   1.802306 10.37196 2.613530 
1 1 1    0    6    6 o 309.7225 2.875800  1098.254 14.40589   1066.600 27.80000   1132.300 29.90000   305.0991 3.978722   314.3460   4.153392 -9.246887 5.751599 
1 1 1    0    6    7 o 135.3778 1.494234  209.8931 3.273283   210.2000 6.700000   209.6000 6.400000   135.4739 2.159528   135.2816   2.065765 0.1922913 2.988468 
1 1 1    0    6    8 o 156.7976 1.752610  281.6000 4.450000   279.4000 8.900000   283.8000 8.900000   156.1849 2.488230   157.4103   2.468861 -1.225327 3.505220 
1 1 1    0    6    9 o 148.3213 1.634141  251.9414 3.924841   250.6000 7.800000   253.3000 7.900000   147.9240 2.302479   148.7186   2.319538 -0.7945557 3.268282 
1 1 1    0    6   10 o 125.7487 2.257094  181.1000 6.500000   181.1000 6.500000          ?        ?   125.7487 2.257094          ?          ?       ?       ? 
1 1 1    0    6   11 o 206.5960 2.123050  487.8253 7.064789   507.2000 15.20000   471.0000 13.20000   210.4157 3.154316   202.7762   2.842474 7.639450 4.246100 
1 1 1    0    6   12 o 304.7747 3.882666  1064.500 27.10000   1064.500 27.10000          ?        ?   304.7747 3.882666          ?          ?       ?       ? 
1 1 1    0    6   13 o 62.77999 1.701640  45.16087 1.715942   45.30000 3.200000   45.00000 3.700000   62.88623 2.221949   62.67374   2.577839 0.2124863 3.403280 
1 1 1    0    6   14 o 161.2288 1.782187  297.8903 4.645161   296.6000 9.600000   299.1000 9.000000   160.8869 2.605496   161.5706   2.432314 -0.6837921 3.564374 
1 1 1    0    6   15 o 263.6324 2.560308  797.2853 10.92037   788.1000 22.30000   806.1000 21.40000   262.1333 3.714688   265.1314   3.524458 -2.998108 5.120616 
1 1 1    0    6   16 o 43.01919 2.693843  21.35135 1.816216   22.00000 3.200000   20.50000 4.200000   43.79446 3.190587   42.24392   4.341350 1.550541 5.387686 
1 1 1    0    6   17 o 128.0319 1.796016  187.6369 3.716779   201.3000 7.800000   175.2000 7.100000   132.4723 2.571043   123.5915   2.508473 8.880806 3.592033 
1 1 1    0    6   18 o 58.63791 2.087674  39.62785 1.972152   41.60000 3.800000   37.50000 4.100000   60.17300 2.757539   57.10282   3.135206 3.070187 4.175348 
1 1 1    0    6   19 o 76.89144 1.697600  67.90833 2.070238   67.60000 3.700000   68.30000 4.700000   76.72602 2.105711   77.05686   2.663338 -0.3308411 3.395200 
1 1 1    0    6   20 o 74.97058 1.918993  64.83871 2.324731   70.60000 4.700000   59.20000 4.600000   78.28527 2.621546   71.65588   2.803146 6.629387 3.837985 
1 1 1    0    6   21 o 30.29464 2.985454  10.26271 1.403390   7.300000 2.300000   14.90000 3.600000   24.97949 4.020535   35.60978   4.414412 -10.63029 5.970908 
1 1 1    0    6   22 o 43.02068 2.822159  21.63333 1.666667   21.10000 2.500000   22.70000 5.000000   42.63845 2.560226   43.40291   5.030265 -0.7644577 5.644318 
1 1 1    0    6   23 o 19.00093 4.920593  4.144304 1.835443   3.300000 2.900000   5.600000 5.000000   16.81720 5.983895   21.18465   7.812935 -4.367449 9.841187 
1 1 1    0    6   24 o 14.39628 4.489054 0.7265822 1.744304  0.2000000 2.600000   1.800000 5.300000   11.86311 5.151423   16.92945   7.353180 -5.066342 8.978107 
1 1 1    0    6   25 o 12.72047 4.059508 -1.843662 1.673239  -5.000000 2.700000   3.300000 4.400000   8.225121 4.050406   17.21581   7.036522 -8.990689 8.119017 
1 1 1    0    8    0 o 133.7850 2.273239  204.9035 4.921828   201.2000 9.600000   208.8000 10.10000   132.5453 3.162618   135.0247   3.266239 -2.479416 4.546479 
1 1 1    0    8    1 o 146.0948 1.659075  244.3974 3.923567   247.2000 8.000000   241.7000 7.700000   146.9163 2.377715   145.2734   2.314432 1.642899 3.318151 
1 1 1    0    8    2 o 212.8585 2.110371  517.6797 7.243986   543.3000 15.50000   495.2000 13.60000   217.7879 3.107690   207.9291   2.856035 9.858826 4.220743 
1 1 1    0    8    3 o 143.6773 1.633449  236.2586 3.794079   241.3000 7.900000   231.6000 7.300000   145.1501 2.376564   142.2044   2.241555 2.945679 3.266898 
1 1 1    0    8    4 o 171.2658 1.911231  335.8509 5.298113   352.0000 10.80000   320.3000 10.40000   175.3060 2.690089   167.2256   2.715627 8.080399 3.822461 
1 1 1    0    8    5 o 338.0843 3.082398  1309.759 16.87407   1311.000 33.50000   1308.500 34.00000   338.2475 4.324640   337.9210   4.393427 0.3264771 6.164796 
1 1 1    0    8    6 o 123.1339 1.492183  173.6134 2.973109   175.1000 6.100000   172.2000 5.800000   123.6475 2.154191   122.6203   2.065406 1.027229 2.984366 
1 1 1    0    8    7 o 214.0066 2.065475  524.7696 7.137413   521.8000 14.90000   527.5000 13.70000   213.4213 3.048513   214.5919   2.787706 -1.170532 4.130949 
1 1 1    0    8    8 f 191.9892 2.098681  422.1697 6.522605   415.5000 12.80000   429.1000 13.30000   190.4444 2.934821   193.5340   3.000780 -3.089615 4.197363 
1 1 1    0    8    9 o 303.2208 2.767246  1052.050 13.50497   1081.900 29.10000   1026.200 25.20000   307.2096 4.136166   299.2321   3.677325 7.977448 5.534491 
1 1 1    0    8   10 o 134.9975 1.778830  208.5484 3.838710   211.4000 8.500000   206.2000 7.000000   135.8316 2.732485   134.1635   2.278261 1.668137 3.557660 
1 1 1    0    8   11 f 17.53573 4.109775  3.312727 1.374545   2.600000 2.800000   4.000000 2.700000   16.39079 5.874736   18.68068   5.748780 -2.289892 8.219549 
1 1 1    0    8   12 o 166.8633 1.878857  319.1635 5.073892   323.4000 10.00000   314.8000 10.30000   167.9906 2.599290   165.7361   2.713688 2.254517 3.757714 
1 1 1    0    8   13 o 75.70087 1.612982  65.73291 1.974684   68.30000 3.900000   63.10000 4.000000   77.20140 2.205866   74.20035   2.353931 3.001053 3.225963 
1 1 1    0    8   14 o 123.6315 1.774369  174.7204 3.524648   167.9000 6.500000   182.8000 7.700000   121.0151 2.345382   126.2478   2.663216 -5.232758 3.548737 
1 1 1    0    8   15 f 36.88857 2.975945  15.68169 1.774648   14.40000 3.500000   17.00000 3.600000   35.35278 4.322990   38.42435   4.091058 -3.071575 5.951890 
1 1 1    0    8   16 o 65.06883 1.878187  48.61266 1.972152   42.60000 3.800000   55.10000 4.100000   60.88320 2.725372   69.25447   2.585090 -8.371273 3.756374 
1 1 1    0    8   17 o 105.5394 1.726755  128.0746 2.949153   126.6000 6.000000   129.5000 5.800000   104.9324 2.496785   106.1464   2.385957 -1.213921 3.453509 
1 1 1    0    8   18 o 48.89217 2.369078  27.63600 1.872000   27.30000 3.600000   28.00000 3.900000   48.59934 3.234535   49.18501   3.462355 -0.5856743 4.738155 
1 1 1    0    8   19 o 24.71629 3.894660  7.485246 1.514754   6.200000 2.800000   9.000000 3.300000   22.39044 5.500258   27.04215   5.515492 -4.651711 7.789320 
1 1 1    0    8   20 o 32.54226 3.132334  12.60000 1.650000   13.00000 3.300000   12.20000 3.300000   33.07899 4.356136   32.00554   4.502239 1.073452 6.264669 
1 1 1    0    8   21 o 20.75998 4.551829  5.180882 1.580882   3.600000 2.500000   7.900000 4.300000   17.16540 5.565279   24.35457   7.204462 -7.189177 9.103659 
1 1 1    0    8   22 o 29.62050 3.883220  11.45000 1.800000   8.900000 3.600000   14.00000 3.600000   25.63774 6.199503   33.60326   4.678006 -7.965519 7.766439 
1 1 1    0    8   23 o 15.65845 4.438165  2.291304 1.695652  0.9000000 3.000000   4.100000 3.900000   13.30326 5.650461   18.01365   6.845547 -4.710387 8.876329 
1 1 1    0   10    0 o 149.7717 2.528073  257.2000 6.124898   269.4000 12.20000   244.9000 12.30000   153.3435 3.474034   146.1999   3.673650 7.143631 5.056147 
1 1 1    0   10    1 o 134.8120 1.877652  208.0043 4.094512   217.8000 8.500000   198.9000 7.900000   137.8696 2.692093   131.7543   2.618195 6.115295 3.755304 
1 1 1    0   10    2 o 102.6287 1.714678  120.3254 2.835965   126.8000 6.100000   114.7000 5.300000   105.1988 2.531972   100.0587   2.312921 5.140060 3.429356 
1 1 1    0   10    3 o 81.42326 1.901663  76.12000 2.496000   79.00000 4.800000   73.00000 5.200000   83.03446 2.524193   79.81205   2.844949 3.222412 3.803326 
1 1 1    0   10    4 o 165.3336 1.731551  313.3784 4.608649   316.2000 8.700000   310.2000 9.800000   166.1317 2.286685   164.5354   2.600797 1.596329 3.463101 
1 1 1    0   10    5 o 52.92243 2.158798  32.10000 1.850000   32.50000 3.700000   31.70000 3.700000   53.25246 3.033903   52.59240   3.071981 0.6600685 4.317596 
1 1 1    0   10    6 o 48.85760 2.630907  27.41446 2.074699   24.50000 4.100000   30.40000 4.200000   46.22189 3.873254   51.49331   3.561543 -5.271427 5.261813 
1 1 1    0   10    7 o 142.4701 2.016984  232.6527 4.641397   231.6000 8.900000   233.8000 9.700000   142.1403 2.734089   142.8000   2.966083 -0.6597290 4.033967 
1 1 1    0   10    8 o 151.5362 2.021589  262.9929 4.917677   259.5000 9.100000   267.1000 10.70000   150.4571 2.641001   152.6153   3.061437 -2.158249 4.043177 
1 1 1    0   10    9 o 74.07840 1.917614  62.79022 2.290217   60.50000 4.300000   65.40000 4.900000   72.64110 2.584793   75.51569   2.833339 -2.874596 3.835227 
1 1 1    0   10   10 o 115.4046 1.794888  152.6694 3.338060   154.1000 7.100000   151.4000 6.300000   115.9044 2.674843   114.9048   2.394099 0.9995499 3.589776 
1 1 1    0   10   11 o 151.6662 1.913595  263.9511 4.697872   259.4000 9.200000   268.7000 9.600000   150.3352 2.672186   152.9972   2.739854 -2.661987 3.827189 
1 1 1    0   10   12 o 22.27478 4.301313  5.005556 1.711111   1.000000 2.800000   11.30000 4.400000   13.98316 5.650830   30.56639   6.486394 -16.58323 8.602627 
1 1 1    0   10   13 o 21.06951 4.457868  5.190909 1.636364   6.500000 3.600000   4.100000 3.000000   23.20501 6.509771   18.93402   6.092063 4.270992 8.915736 
1 1 1    0   10   14 o 12.49531 3.967591 -1.406061 1.612121  -2.000000 2.800000 -0.6000000 3.800000   10.79063 4.957279   14.19999   6.196168 -3.409360 7.935182 
1 1 1    0   10   15 o 41.97344 2.316363  20.29683 1.565079   19.10000 2.900000   21.70000 3.400000   40.65494 3.114758   43.29193   3.429349 -2.636993 4.632727 
1 1 1    0   10   16 o 35.54858 2.909636  14.79702 1.674627   15.00000 3.400000   14.60000 3.300000   35.78218 4.149081   35.31498   4.080325 0.4672012 5.819272 
1 1 1    0   10   17 o 33.05853 2.915235  12.80645 1.535484   9.600000 2.800000   16.70000 3.400000   28.46948 4.294555   37.64758   3.943498 -9.178095 5.830470 
1 1 1    0   10   18 o 13.46367 4.026435 -1.921127 1.774648  -6.900000 3.500000   3.200000 3.600000   9.377139 4.616525   17.55020   6.598213 -8.173064 8.052870 
1 1 1    0   10   19 o 18.60416 4.310816  3.426923 1.903846   7.700000 3.300000  -2.400000 4.500000   23.92711 6.025774   13.28121   6.166245 10.64590 8.621633 
1 1 1    0   10   20 o 38.23717 3.060666  18.09189 1.763514   17.70000 2.900000   18.70000 4.500000   38.35405 3.301615   38.12028   5.154613 0.2337685 6.121332 
1 1 1    0   10   21 o 19.83479 4.736503  4.734146 2.019512  0.3000000 3.600000   10.40000 4.600000   13.50549 5.957547   26.16410   7.365151 -12.65861 9.473005 
1 1 1    0   12    0 f 131.8940 2.617825  199.5466 5.534529   197.9000 10.20000   201.5000 12.10000   131.3261 3.391475   132.4620   3.988724 -1.135818 5.235649 
1 1 1    0   12    1 o 86.47668 2.039148  86.02456 2.849123   90.20000 5.600000   81.70000 5.800000   88.62740 2.759051   84.32596   3.003353 4.301445 4.078295 
1 1 1    0   12    2 o 114.2348 1.881966  149.9281 3.466187   151.4000 6.600000   148.3000 7.300000   114.8434 2.509444   113.6262   2.805330 1.217155 3.763932 
1 1 1    0   12    3 o 63.71667 2.178990  46.41667 2.232222   50.50000 4.900000   43.00000 4.100000   66.26384 3.228934   61.16951   2.926770 5.094326 4.357981 
1 1 1    0   12    4 o 23.15884 4.420220  6.060000 1.866667   2.000000 3.500000   10.70000 4.000000   16.51465 6.430164   29.80303   6.066825 -13.28837 8.840440 
1 1 1    0   12    5 o 38.24504 2.434268  16.77667 1.473333   16.30000 2.600000   17.40000 3.400000   37.64617 3.015728   38.84392   3.822043 -1.197746 4.868535 
1 1 1    0   12    6 o 54.94827 2.723568  34.71959 2.412371   32.40000 4.500000   37.40000 5.200000   52.99390 3.707886   56.90263   3.990347 -3.908722 5.447135 
1 1 1    0   12    7 o 46.04646 2.886215  24.55000 2.150000   23.30000 4.300000   25.80000 4.300000   44.86108 4.185414   47.23182   3.975332 -2.370739 5.772431 
1 1 1    0   12    8 o 48.80610 2.424828  27.57368 1.878947   28.20000 3.400000   26.80000 4.200000   49.47318 3.000881   48.13902   3.809708 1.334156 4.849656 
1 1 1    0   12    9 o 19.09764 5.108879  3.242529 2.167816   2.300000 4.100000   4.300000 4.600000   17.61518 6.930153   20.58010   7.508366 -2.964920 10.21776 
1 1 1    0   12   10 o 21.08664 4.194795  4.871642 1.656716   1.200000 3.000000   9.400000 3.700000   14.50148 5.853066   27.67180   6.010560 -13.17032 8.389589 
1 1 1    0   12   11 o 27.82028 3.795348  9.409091 1.636364   8.500000 3.000000   10.50000 3.600000   26.37962 5.150645   29.26094   5.575799 -2.881321 7.590696 
1 1 1    0   12   12 o 45.23964 2.465696  23.84583 1.787500   23.80000 3.300000   23.90000 3.900000   45.25765 3.183917   45.22163   3.765807 0.3601837E-01 4.931392 
1 1 1    0   12   13 o 23.90130 4.258326  7.273134 1.591045   7.700000 2.600000   6.600000 4.100000   25.03131 4.708358   22.77129   7.096811 2.260021 8.516652 
1 1 1    0   12   14 o 33.77545 4.023484  14.66707 2.030488   17.60000 3.700000   11.10000 4.500000   38.44138 4.202836   29.10952   6.862205 9.331861 8.046968 
1 1 1    0   12   15 o 24.12717 4.705125  7.811842 1.867105   6.900000 3.300000   9.000000 4.300000   22.74180 6.176472   25.51254   7.099577 -2.770739 9.410250 
1 1 1    0   12   16 o 21.95074 4.677286  6.650000 1.800000   6.800000 3.600000   6.500000 3.600000   22.18952 6.598481   21.71196   6.630841 0.4775581 9.354571 
1 1 1    0   12   17 o 22.45778 4.259504  6.888462 1.929487   11.60000 3.500000   1.100000 4.300000   29.64563 5.352168   15.26992   6.627806 14.37570 8.519009 
1 1 1    0   12   18 o 15.93117 4.525570  2.729167 1.787500   1.400000 3.300000   4.300000 3.900000   14.02349 5.939671   17.83884   6.829602 -3.815354 9.051141 
1 1 1    0   14    0 o 25.04258 6.049926  6.693651 3.130159   2.700000 6.800000   10.10000 5.800000   21.50610 8.763932   28.57906   8.342657 -7.072968 12.09985 
1 1 1    0   14    1 o 27.88441 5.229034  9.993814 2.350515   10.20000 4.000000   9.700000 5.700000   28.44973 6.305058   27.31909   8.343706 1.130648 10.45807 
1 1 1    0   14    2 o 38.71253 2.959509  17.70000 1.850000   19.20000 3.700000   16.20000 3.700000   40.40445 3.998640   37.02061   4.364132 3.383839 5.919017 
1 1 1    0   14    3 o 23.95773 4.559984  7.339189 1.844595   8.900000 3.500000   5.600000 3.900000   26.59087 5.901538   21.32459   6.953104 5.266281 9.119967 
1 1 1    0   14    4 o 28.07807 3.754731  9.599999 1.612121   8.200000 2.800000   11.50000 3.800000   25.79405 4.919536   30.36209   5.673640 -4.568041 7.509462 
1 1 1    0   14    5 o 16.84244 4.883042      0.03 2.230435  -4.100000 3.800000   5.900000 5.400000   11.38536 5.403241   22.29952   8.135195 -10.91416 9.766085 
1 1 1    0   14    6 o 16.20049 4.452782  1.800000 1.800000   4.400000 3.600000 -0.8000000 3.600000   19.17465 6.680128   13.22632   5.889395 5.948329 8.905564 
1 1 1    0   14    7 o 28.07956 4.102019  9.958333 1.765278   9.700000 3.100000   10.30000 4.100000   27.96030 5.026039   28.19881   6.484225 -0.2385044 8.204039 
1 1 1    0   14    8 o 34.26038 3.342565  14.06622 1.828378   10.90000 3.300000   18.00000 4.100000   29.95293 4.810766   38.56782   4.641929 -8.614885 6.685131 
1 1 1    0   14    9 f 17.33455 4.217444  3.100000 1.648485   6.300000 3.200000 -0.3000000 3.400000   21.65533 6.159476   13.01377   5.762655 8.641559 8.434889 
1 1 1    0   14   10 o 11.17079 3.670377 -2.100000 1.600000  -2.200000 3.200000  -2.000000 3.200000   11.09932 5.168703   11.24226   5.212600 -0.1429405 7.340755 
1 1 1    0   14   11 o 27.02993 4.302341  10.09459 1.848649   12.20000 3.800000   8.100000 3.600000   30.12025 5.718035   23.93960   6.429978 6.180649 8.604681 
1 1 1    0   14   12 o 14.81200 4.384457 -4.378947 2.368421   5.900000 4.500000  -15.80000 5.000000   20.44293 7.431177   9.181067   4.655260 11.26186 8.768913 
1 1 1    0   14   13 o 20.33371 4.871070  4.980233 2.075581  0.3000000 3.500000   11.80000 5.100000   13.30663 5.871799   27.36078   7.773757 -14.05415 9.742141 
1 1 1    0   16    0 o 17.49944 5.621655 -1.039416 3.291971  -1.200000 5.500000 -0.8000000 8.200000   15.83776 7.147050   19.16113   8.679385 -3.323363 11.24331 
1 1 1    0   16    1 o 11.49360 3.876771 -5.130589 2.122353 -0.5000000 4.100000  -10.10000 4.400000   13.45699 6.111975   9.530205   4.770866 3.926783 7.753541 
1 1 1    0   16    2 o 14.69366 4.496369  1.318987 1.972152   1.800000 3.800000  0.8000000 4.100000   14.97388 6.359700   14.41343   6.357953 0.5604477 8.992739 
1 1 1    0   16    3 o 13.79804 4.493478 -0.8935484 2.324731 -0.3000000 4.600000  -1.500000 4.700000   14.11222 6.434368   13.48387   6.274096 0.6283464 8.986956 
1 1 1    0   16    4 o 17.35539 5.124299  3.136364 2.454545   0.000000 4.500000   6.900000 5.400000   14.13532 6.413562   20.57545   7.993745 -6.440125 10.24860 
1 1 1    1    1    0 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    1    1    1 o 246.4643 2.205875  696.1415 8.786079   702.9000 18.30000   689.9000 16.90000   247.6044 3.227249   245.3242   3.008056 2.280136 4.411750 
1 1 1    1    1    2 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    1    1    3 o 304.5012 2.722592  1062.203 13.42495   1060.400 26.90000   1064.000 26.80000   304.2428 3.860750   304.7596   3.839876 -0.5167542 5.445185 
1 1 1    1    1    4 o 605.8844 7.128919  4213.791 69.92198   4105.600 137.1000   4326.400 142.7000   597.9620 10.01160   613.8069   10.15154 -15.84491 14.25784 
1 1 1    1    1    5 f 583.8361 5.549484  3904.900 74.20000   3904.900 74.20000          ?        ?   583.8361 5.549484          ?          ?       ?       ? 
1 1 1    1    1    6 o 128.4508 1.558737  191.0336 2.956800   197.6000 4.800000   180.5000 7.700000   131.3606 1.595570   125.5411   2.678209 5.819473 3.117475 
1 1 1    1    1    7 o 675.6120 6.438407  5223.360 62.44253   5192.300 97.30000   5279.000 174.3000   673.1124 6.311971   678.1116   11.22370 -4.999146 12.87681 
1 1 1    1    1    8 o 442.8392 3.681273  2247.087 26.39233   2313.500 53.70000   2182.900 51.90000   449.2708 5.219223   436.4077   5.192956 12.86304 7.362546 
1 1 1    1    1    9 o 113.5292 1.319886  147.3000 2.412371   152.5000 5.200000   142.8000 4.500000   115.3933 1.967716   111.6651   1.759684 3.728149 2.639772 
1 1 1    1    1   10 f 403.5378 3.416451  1866.389 22.31489   1888.500 45.60000   1845.200 43.70000   405.8706 4.905880   401.2049   4.756144 4.665741 6.832903 
1 1 1    1    1   11 o 526.6757 5.967785  3184.847 50.88580   3099.300 100.1000   3273.300 103.5000   519.4888 8.413905   533.8625   8.465462 -14.37378 11.93557 
1 1 1    1    1   12 o 295.5547 2.621806  1000.035 12.53725   1034.500 25.90000   967.7000 24.30000   300.4838 3.763729   290.6256   3.651002 9.858246 5.243613 
1 1 1    1    1   13 o 646.9070 5.202989  4800.341 54.47977   4824.600 111.1000   4777.000 106.9000   648.4906 7.480835   645.3234   7.233358 3.167175 10.40598 
1 1 1    1    1   14 o 467.2040 3.965266  2499.547 29.93925   2577.400 62.70000   2428.400 57.30000   474.1425 5.774286   460.2655   5.436080 13.87701 7.930533 
1 1 1    1    1   15 o 234.6603 2.171047  630.7888 8.248788   625.8000 16.30000   635.9000 16.70000   233.7219 3.045284   235.5986   3.095163 -1.876678 4.342095 
1 1 1    1    1   16 o 368.1234 3.224396  1551.726 19.18518   1492.500 36.70000   1616.600 40.20000   360.7869 4.441759   375.4598   4.675222 -14.67291 6.448793 
1 1 1    1    1   17 o 93.93092 1.593908  100.0402 2.381443   91.90000 4.200000   110.7000 5.500000   89.56760 2.047567   98.29425   2.443286 -8.726654 3.187817 
1 1 1    1    1   18 o 87.99828 1.725318  88.61855 2.350515   88.00000 4.000000   89.50000 5.700000   87.63930 1.992970   88.35725   2.816906 -0.7179489 3.450636 
1 1 1    1    1   19 o 328.7980 3.023767  1242.181 16.08742   1218.900 31.30000   1266.800 33.10000   325.6532 4.196900   331.9429   4.354159 -6.289673 6.047535 
1 1 1    1    1   20 o 94.50513 1.601811  101.9429 2.424490   96.60000 4.400000   108.5000 5.400000   91.77428 2.093493   97.23598   2.424971 -5.461700 3.203622 
1 1 1    1    1   21 o 32.01133 2.683982  11.93273 1.374545   13.70000 2.700000   10.10000 2.800000   34.47146 3.420139   29.55120   4.137352 4.920258 5.367964 
1 1 1    1    1   22 o 16.18923 4.211437  1.987302 1.574603   4.300000 3.100000 -0.4000000 3.200000   19.24482 6.192839   13.13364   5.709075 6.111176 8.422873 
1 1 1    1    1   23 o 32.00307 3.377327  12.07714 1.748571   11.30000 3.400000   12.90000 3.600000   30.93953 4.798494   33.06662   4.753926 -2.127090 6.754655 
1 1 1    1    1   24 o 14.40446 4.087147  1.460345 1.422414  0.9000000 2.500000   2.200000 3.300000   12.90553 5.292735   15.90340   6.229449 -2.997870 8.174294 
1 1 1    1    1   25 o 18.45853 4.865740  4.048718 1.917949   4.500000 4.400000   3.700000 3.400000   19.29506 7.285867   17.62201   6.451189 1.673054 9.731480 
1 1 1    1    1   26 o 20.09408 5.176296  5.484782 2.116304   5.700000 3.300000   5.100000 5.900000   20.20946 6.377558   19.97870   8.154932 0.2307587 10.35259 
1 1 1    1    1   27 o 14.69888 4.289485  2.091045 1.629851   2.300000 2.800000   1.800000 3.900000   14.43212 5.711364   14.96565   6.401489 -0.5335274 8.578971 
1 1 1    1    3    0 o 739.6273 11.77795  0.000000 0.000000          ?        ?   6280.600 199.5000          ?        ?   739.6273   11.77795       ?       ? 
1 1 1    1    3    1 o 559.2231 5.728781  3568.060 49.13956   3674.000 122.4000   3497.000 82.10000   566.0148 9.442639   552.4314   6.489399 13.58337 11.45756 
1 1 1    1    3    2 o 800.3713 9.081903  7348.417 117.6339   7610.100 242.0000   7100.900 228.9000   814.2066 12.97838   786.5360   12.70770 27.67059 18.16381 
1 1 1    1    3    3 o 216.2620 2.091630  535.6188 7.324232   538.7000 14.80000   532.6000 14.50000   216.8774 2.979800   215.6467   2.936060 1.230743 4.183259 
1 1 1    1    3    4 o 650.4035 6.644929  4869.317 66.65580   4763.700 161.3000   4943.700 113.6000   644.1500 10.93420   656.6570   7.554042 -12.50708 13.28986 
1 1 1    1    3    5 o 604.3206 5.152284  4181.520 50.33961   4318.900 105.0000   4055.000 96.70000   613.8304 7.469312   594.8108   7.098839 19.01965 10.30457 
1 1 1    1    3    6 o 337.9688 3.083781  1308.711 16.87052   1309.400 33.20000   1308.000 34.30000   338.0624 4.288258   337.8751   4.432796 0.1873779 6.167562 
1 1 1    1    3    7 o 70.02469 1.146193  55.95385 1.292308   59.40000 2.800000   53.00000 2.400000   72.01950 1.697648   68.02988   1.540463 3.989616 2.292386 
1 1 1    1    3    8 o 108.3433 1.339636  134.3245 2.345745   137.4000 4.900000   131.5000 4.500000   109.5314 1.953426   107.1551   1.833746 2.376297 2.679272 
1 1 1    1    3    9 o 114.6591 1.388887  149.8864 2.545631   143.5000 4.600000   157.8000 5.700000   111.9383 1.794398   117.3799   2.120415 -5.441574 2.777773 
1 1 1    1    3   10 o 164.6075 3.289362  0.000000 0.000000          ?        ?   310.4000 12.40000          ?        ?   164.6075   3.289362       ?       ? 
1 1 1    1    3   11 o 326.9858 2.951221  1225.028 15.61600   1216.000 30.50000   1234.500 32.00000   325.7565 4.088334   328.2151   4.257270 -2.458557 5.902442 
1 1 1    1    3   12 o 488.7625 4.077828  2738.869 32.27483   2730.500 64.70000   2747.200 64.40000   488.0150 5.789096   489.5099   5.744658 -1.494812 8.155656 
1 1 1    1    3   13 o 469.0683 4.517825  2516.979 30.62443   2500.400 48.00000   2546.200 84.60000   467.1192 4.486971   471.0174   7.842836 -3.898193 9.035650 
1 1 1    1    3   14 o 396.6379 3.839987  1799.941 22.17278   1788.800 35.00000   1819.200 60.50000   395.1038 3.868090   398.1719   6.634748 -3.068146 7.679974 
1 1 1    1    3   15 o 127.4495 1.704470  184.5412 3.105882   180.8000 4.800000   191.4000 8.800000   125.6458 1.668142   129.2532   2.972906 -3.607361 3.408940 
1 1 1    1    3   16 o 235.2388 2.533732  636.2712 8.870399   642.3000 14.40000   626.6000 23.10000   236.7593 2.655798   233.7183   4.315777 3.041031 5.067465 
1 1 1    1    3   17 o 64.00282 2.152237  46.96588 1.910588   47.00000 2.900000   46.90000 5.600000   64.05424 1.976923   63.95140   3.823646 0.1028366 4.304474 
1 1 1    1    3   18 o 98.89481 1.691185  111.9971 2.451429   111.7000 3.900000   112.5000 6.600000   98.74167 1.724662   99.04794   2.909633 -0.3062744 3.382369 
1 1 1    1    3   19 o 120.9287 2.028966  169.4719 3.601307   174.4000 5.800000   161.4000 9.500000   123.3388 2.053374   118.5187   3.500068 4.820122 4.057933 
1 1 1    1    3   20 o 153.2935 2.119880  271.3441 4.817647   274.9000 7.800000   265.6000 12.60000   154.7638 2.200721   151.8233   3.623865 2.940567 4.239760 
1 1 1    1    3   21 o 77.10923 1.819744  68.59101 2.143820   69.40000 3.600000   67.40000 5.300000   77.74059 2.022062   76.47787   3.026076 1.262711 3.639487 
1 1 1    1    3   22 o 105.1980 1.796758  129.2059 2.882353   136.0000 4.900000   119.5000 7.000000   108.7482 1.967494   101.6478   3.007045 7.100479 3.593515 
1 1 1    1    3   23 o 73.07005 1.718135  62.23750 1.968750   65.30000 3.500000   58.30000 4.500000   75.25101 2.030932   70.88908   2.771870 4.361931 3.436270 
1 1 1    1    3   24 o 33.89064 3.384393  14.18571 1.714286   15.30000 3.000000   12.70000 4.000000   36.01735 3.637050   31.76393   5.708619 4.253418 6.768785 
1 1 1    1    3   25 o 26.31675 3.949800  8.795454 1.595455   6.300000 2.700000   12.40000 3.900000   21.89965 5.414175   30.73385   5.752425 -8.834198 7.899600 
1 1 1    1    3   26 o 13.22170 4.075212 0.1869564 1.643478   1.400000 2.700000  -1.700000 4.200000   13.42944 5.503147   13.01396   6.012053 0.4154797 8.150424 
1 1 1    1    5    0 o 129.8987 1.439139  193.3545 3.024793   186.7000 6.100000   199.9000 6.000000   127.6799 2.086157   132.1174   1.983037 -4.437508 2.878279 
1 1 1    1    5    1 o 349.0697 3.140106  1396.288 17.74944   1398.500 35.70000   1394.100 35.30000   349.3434 4.462265   348.7960   4.419192 0.5474548 6.280212 
1 1 1    1    5    2 o 119.2309 1.475723  162.5053 2.842105   155.4000 5.400000   170.4000 6.000000   116.4854 2.024239   121.9765   2.147904 -5.491035 2.951447 
1 1 1    1    5    3 o 309.9299 2.761408  1100.948 13.83845   1092.100 28.50000   1109.300 26.90000   308.7120 4.031169   311.1479   3.775071 -2.435883 5.522815 
1 1 1    1    5    4 o 307.0969 2.739198  1081.331 13.57353   1066.400 28.40000   1095.000 26.00000   305.0542 4.065192   309.1397   3.672470 -4.085541 5.478396 
1 1 1    1    5    5 o 214.5517 2.101083  527.3086 7.299657   533.4000 14.70000   521.3000 14.50000   215.7823 2.974686   213.3210   2.968069 2.461304 4.202165 
1 1 1    1    5    6 o 269.8855 2.425387  834.4877 10.59976   837.1000 21.30000   831.9000 21.10000   270.3055 3.440840   269.4655   3.419156 0.8399353 4.850774 
1 1 1    1    5    7 o 91.08013 1.356316  94.95000 1.998750   89.10000 3.900000   101.1000 4.100000   88.20398 1.930706   93.95628   1.905451 -5.752304 2.712631 
1 1 1    1    5    8 o 343.7451 3.860358  1344.938 20.17116   1307.500 33.20000   1402.900 51.40000   337.7786 4.291862   349.7117   6.417895 -11.93317 7.720716 
1 1 1    1    5    9 o 412.8084 3.594123  1953.078 24.02373   1997.600 48.40000   1909.200 47.70000   417.4809 5.062306   408.1359   5.103325 9.345001 7.188246 
1 1 1    1    5   10 o 220.3146 2.235408  556.0097 7.974922   552.9000 16.00000   559.1000 15.90000   219.7000 3.180018   220.9293   3.142560 -1.229294 4.470816 
1 1 1    1    5   11 o 294.6180 2.777416  994.5325 13.24925   990.2000 26.70000   998.8000 26.30000   293.9794 3.965830   295.2566   3.889518 -1.277191 5.554832 
1 1 1    1    5   12 o 208.9211 2.084966  499.8043 7.037234   504.6000 14.70000   495.4000 13.50000   209.8791 3.058355   207.9630   2.834571 1.916046 4.169931 
1 1 1    1    5   13 o 334.9645 3.004992  1286.040 16.29985   1282.900 32.50000   1289.200 32.70000   334.5549 4.241854   335.3741   4.257532 -0.8192139 6.009984 
1 1 1    1    5   14 o 337.5874 2.904328  1306.644 15.87024   1307.000 32.30000   1306.300 31.20000   337.6252 4.177413   337.5496   4.036052 0.7556152E-01 5.808657 
1 1 1    1    5   15 o 222.0259 2.252746  564.8685 8.097222   552.6000 15.90000   577.6000 16.50000   219.5717 3.161990   224.4801   3.209561 -4.908478 4.505493 
1 1 1    1    5   16 o 63.68252 1.852319  46.65000 1.900000   52.20000 3.800000   41.10000 3.800000   67.48803 2.458649   59.87701   2.771170 7.611015 3.704637 
1 1 1    1    5   17 o 175.9190 2.048260  355.2858 5.816309   347.6000 12.10000   362.4000 11.20000   174.0709 3.035281   177.7671   2.751099 -3.696243 4.096520 
1 1 1    1    5   18 o 94.50464 2.060593  102.4452 3.137302   100.9000 5.900000   104.2000 6.700000   93.75841 2.747777   95.25086   3.071465 -1.492455 4.121186 
1 1 1    1    5   19 f 26.20933 3.530290  7.968965 1.387931   6.700000 2.300000   9.900000 3.500000   23.70288 4.399038   28.71577   5.522703 -5.012888 7.060580 
1 1 1    1    5   20 o 56.55177 2.257113  36.79756 2.006098   36.20000 3.500000   37.60000 4.700000   56.07257 2.725570   57.03098   3.598543 -0.9584122 4.514227 
1 1 1    1    5   21 o 73.44092 2.112454  62.17732 2.237113   61.60000 3.500000   63.20000 6.200000   73.16163 2.088933   73.72020   3.672357 -0.5585709 4.224908 
1 1 1    1    5   22 o 42.94548 2.901309  22.21053 1.768421   23.50000 2.800000   20.00000 4.800000   45.01625 2.715991   40.87470   5.127745 4.141548 5.802618 
1 1 1    1    5   23 f 53.93166 2.129592  33.83784 1.816216   32.80000 3.200000   35.20000 4.200000   53.10763 2.631072   54.75570   3.349343 -1.648067 4.259183 
1 1 1    1    5   24 o 24.87679 4.783154  8.141666 2.041667   4.100000 3.500000   13.80000 4.900000   18.16750 6.561373   31.58607   6.961511 -13.41856 9.566308 
1 1 1    1    5   25 o 26.59134 4.652433  10.25581 2.093023   12.60000 3.600000   7.000000 5.000000   31.41777 5.003418   21.76491   7.845149 9.652859 9.304867 
1 1 1    1    7    0 o 90.31007 1.582919  94.90666 2.195555   102.0000 3.800000   85.20000 5.200000   94.37453 1.758201   86.24562   2.632728 8.128906 3.165837 
1 1 1    1    7    1 o 111.6212 1.439022  142.7288 2.599039   141.2000 5.300000   144.2000 5.100000   111.0340 2.084297   112.2084   1.984652 -1.174454 2.878044 
1 1 1    1    7    2 o 128.7296 1.475206  189.2488 3.058537   198.8000 6.600000   181.0000 5.700000   131.7464 2.187484   125.7129   1.979862 6.033554 2.950413 
1 1 1    1    7    3 o 316.4123 2.737665  1147.084 14.01747   1152.200 28.70000   1142.200 27.40000   317.0972 3.952111   315.7273   3.789466 1.369904 5.475330 
1 1 1    1    7    4 o 158.7128 1.643457  288.0970 4.217752   302.0000 8.800000   275.3000 8.100000   162.3844 2.366345   155.0412   2.281275 7.343216 3.286914 
1 1 1    1    7    5 o 130.1618 1.601239  193.9956 3.373333   191.6000 6.600000   196.5000 6.900000   129.3406 2.228173   130.9831   2.300242 -1.642487 3.202479 
1 1 1    1    7    6 o 272.4251 2.544194  849.6508 11.21559   826.2000 21.80000   874.5000 23.10000   268.5576 3.544531   276.2926   3.650753 -7.735046 5.088388 
1 1 1    1    7    7 o 74.80497 1.361932  64.03939 1.648485   62.10000 3.200000   66.10000 3.400000   73.63783 1.897530   75.97211   1.954180 -2.334274 2.723865 
1 1 1    1    7    8 o 42.35876 1.952245  20.71321 1.320755   18.60000 2.800000   22.60000 2.500000   40.29639 3.034112   44.42115   2.457480 -4.124760 3.904490 
1 1 1    1    7    9 o 474.4691 4.015115  2581.281 30.84344   2553.000 60.80000   2610.400 62.60000   471.8381 5.626655   477.1001   5.729340 -5.261993 8.030230 
1 1 1    1    7   10 o 58.61206 1.586177  39.29500 1.485000   39.90000 3.300000   38.80000 2.700000   59.02022 2.441478   58.20391   2.025589 0.8163071 3.172353 
1 1 1    1    7   11 o 156.9303 1.920291  281.5615 4.846154   273.9000 9.000000   290.5000 10.50000   154.6269 2.541541   159.2337   2.879346 -4.606812 3.840581 
1 1 1    1    7   12 o 93.03125 1.543030  99.05483 2.322581   94.70000 4.500000   103.7000 4.800000   90.92049 2.161178   95.14201   2.202970 -4.221519 3.086060 
1 1 1    1    7   13 o 125.8346 1.803360  181.3571 3.673469   186.0000 7.500000   176.9000 7.200000   127.4120 2.570341   124.2573   2.530174 3.154724 3.606720 
1 1 1    1    7   14 o 118.6455 1.743782  161.3500 3.350000   164.0000 6.700000   158.7000 6.700000   119.6208 2.445725   117.6702   2.486268 1.950592 3.487563 
1 1 1    1    7   15 o 77.59076 1.670977  68.90952 2.095238   66.10000 4.000000   72.00000 4.400000   75.93497 2.300159   79.24654   2.424443 -3.311577 3.341954 
1 1 1    1    7   16 o 110.6311 1.646575  140.3559 2.949153   143.0000 6.000000   137.8000 5.800000   111.6541 2.346477   109.6081   2.310601 2.045982 3.293149 
1 1 1    1    7   17 o 57.94312 1.848623  38.28116 1.681159   36.60000 2.900000   40.60000 4.000000   56.46652 2.242573   59.41972   2.939471 -2.953197 3.697245 
1 1 1    1    7   18 o 16.85287 4.442626  2.586154 1.621538   2.300000 3.100000   2.900000 3.400000   16.22083 6.117843   17.48491   6.443578 -1.264086 8.885252 
1 1 1    1    7   19 o 55.08589 2.284135  35.57500 1.995000   29.80000 4.200000   40.80000 3.800000   50.69979 3.617285   59.47199   2.790042 -8.772198 4.568270 
1 1 1    1    7   20 o 72.69458 2.080954  61.16225 2.445918   59.10000 4.700000   63.40000 5.100000   71.43842 2.872802   73.95073   3.011393 -2.512306 4.161908 
1 1 1    1    7   21 o 49.31849 2.132077  28.25588 1.676471   26.80000 3.000000   30.10000 3.800000   47.97633 2.730448   50.66064   3.275312 -2.684303 4.264154 
1 1 1    1    7   22 o 35.96453 3.066331  15.73521 1.766197   15.20000 3.800000   16.20000 3.300000   35.20728 4.712929   36.72178   3.924008 -1.514503 6.132662 
1 1 1    1    7   23 o 24.16212 4.246653  8.556411 1.698718   10.80000 2.500000   3.800000 5.300000   29.80178 3.663005   18.52247   7.662808 11.27931 8.493305 
1 1 1    1    7   24 o 13.71366 4.202229 0.5521126 1.766197   1.900000 3.300000  -1.000000 3.800000   14.68253 6.058081   12.74479   5.825338 1.937743 8.404458 
1 1 1    1    9    0 o 87.20789 1.708523  87.38438 2.390625   90.90000 4.500000   83.40000 5.100000   89.08709 2.205654   85.32868   2.609846 3.758408 3.417046 
1 1 1    1    9    1 o 244.3900 2.325820  683.9609 9.182609   692.1000 19.20000   676.5000 17.60000   245.7779 3.411129   243.0021   3.162586 2.775772 4.651640 
1 1 1    1    9    2 o 232.2024 2.194643  617.2982 8.235151   628.4000 17.20000   607.1000 15.80000   234.2002 3.206866   230.2046   2.996973 3.995667 4.389287 
1 1 1    1    9    3 o 163.8684 1.875092  307.6136 4.973869   308.5000 9.800000   306.7000 10.10000   164.1092 2.607551   163.6277   2.695283 0.4815216 3.750183 
1 1 1    1    9    4 o 182.2401 1.911130  380.6133 5.600000   382.9000 10.50000   378.0000 12.00000   182.8320 2.507707   181.6482   2.884628 1.183792 3.822260 
1 1 1    1    9    5 o 358.8742 3.179745  1475.521 18.44249   1448.600 35.40000   1504.800 38.50000   355.4738 4.348459   362.2746   4.640476 -6.800781 6.359490 
1 1 1    1    9    6 o 158.9173 1.917600  289.0721 4.896447   293.0000 10.60000   285.7000 9.100000   159.9137 2.894408   157.9209   2.516179 1.992874 3.835200 
1 1 1    1    9    7 o 256.8606 2.440086  755.9719 10.14384   771.7000 20.80000   741.0000 19.80000   259.4634 3.500474   254.2577   3.400406 5.205704 4.880172 
1 1 1    1    9    8 o 105.0344 1.692317  126.4304 2.869565   125.7000 6.000000   127.1000 5.500000   104.7407 2.501355   105.3280   2.280124 -0.5872803 3.384634 
1 1 1    1    9    9 o 31.76639 3.619069  12.10571 1.737143   14.30000 3.200000   9.500000 3.800000   35.31347 3.956848   28.21931   6.060858 7.094156 7.238139 
1 1 1    1    9   10 o 121.1629 1.668748  168.0237 3.270229   176.9000 6.800000   159.8000 6.300000   124.2403 2.389934   118.0855   2.329613 6.154892 3.337497 
1 1 1    1    9   11 o 171.7759 1.986458  338.1964 5.519457   333.5000 10.70000   343.2000 11.40000   170.5504 2.739496   173.0014   2.877364 -2.450989 3.972916 
1 1 1    1    9   12 o 126.0778 1.770241  180.7924 3.515972   171.6000 6.100000   193.3000 8.300000   122.3485 2.177063   129.8070   2.792027 -7.458534 3.540482 
1 1 1    1    9   13 f 76.32718 1.812705  67.19101 2.224719   75.20000 4.400000   59.00000 4.500000   80.96292 2.373046   71.69144   2.740848 9.271477 3.625410 
1 1 1    1    9   14 o 68.67297 1.966034  54.18966 2.151724   54.10000 3.900000   54.30000 4.800000   68.63529 2.481172   68.71066   3.050400 -0.7537079E-01 3.932067 
1 1 1    1    9   15 o 39.30492 2.393623  18.00000 1.500000   14.40000 3.000000   21.60000 3.000000   35.30552 3.710380   43.30432   3.025030 -7.998802 4.787246 
1 1 1    1    9   16 o 71.61471 1.728774  58.87500 1.980000   57.30000 3.600000   60.80000 4.400000   70.58527 2.227041   72.64415   2.644793 -2.058884 3.457549 
1 1 1    1    9   17 o 113.6435 1.767878  149.1500 3.250000   141.3000 6.500000   157.0000 6.500000   110.6273 2.565611   116.6598   2.432943 -6.032463 3.535756 
1 1 1    1    9   18 f 44.22565 2.390533  22.88235 1.698529   27.00000 3.500000   19.00000 3.300000   48.15021 3.174019   40.30109   3.575500 7.849117 4.781067 
1 1 1    1    9   19 o 17.68566 4.430005  3.578125 1.593750   3.100000 3.400000   4.000000 3.000000   17.17818 6.421312   18.19314   6.104631 -1.014961 8.860009 
1 1 1    1    9   20 o 42.71033 2.732839  22.02800 1.872000   26.50000 3.900000   17.90000 3.600000   47.01671 3.622030   38.40395   4.093231 8.612759 5.465679 
1 1 1    1    9   21 o 42.28608 2.889287  22.07722 1.974684   23.90000 4.000000   20.30000 3.900000   44.10332 3.960303   40.46884   4.208076 3.634480 5.778573 
1 1 1    1    9   22 o 16.95593 4.439034  3.589552 1.665672   2.300000 3.600000   4.700000 3.100000   15.47350 6.349213   18.43837   6.205449 -2.964866 8.878068 
1 1 1    1   11    0 o 52.46232 2.681582  31.50000 2.268132   36.30000 4.800000   27.20000 4.300000   56.24294 3.726602   48.68170   3.856936 7.561241 5.363163 
1 1 1    1   11    1 o 128.6703 1.919732  189.7838 3.999375   188.5000 7.900000   191.1000 8.100000   128.2310 2.690132   129.1097   2.739467 -0.8786163 3.839464 
1 1 1    1   11    2 o 103.8711 1.798315  123.5471 3.019835   127.4000 6.300000   120.0000 5.800000   105.4220 2.609450   102.3201   2.475179 3.101883 3.596630 
1 1 1    1   11    3 o 81.63061 1.758016  76.17742 2.318280   82.50000 4.900000   70.50000 4.400000   84.83550 2.522076   78.42571   2.449819 6.409790 3.516032 
1 1 1    1   11    4 o 97.51756 1.489648  109.0596 2.348936   106.2000 4.800000   111.8000 4.600000   96.26208 2.177337   98.77304   2.033570 -2.510956 2.979296 
1 1 1    1   11    5 o 57.04300 2.215657  37.50000 2.000000   38.70000 3.600000   36.00000 4.500000   58.08953 2.706103   55.99646   3.509066 2.093067 4.431314 
1 1 1    1   11    6 o 178.8236 2.072029  366.9496 5.999583   367.0000 12.10000   366.9000 11.90000   178.8326 2.954462   178.8145   2.905921 0.1805115E-01 4.144059 
1 1 1    1   11    7 o 70.75319 1.792336  57.50244 2.048780   55.30000 4.200000   59.60000 4.000000   69.42307 2.641710   72.08331   2.423064 -2.660240 3.584672 
1 1 1    1   11    8 o 17.75940 4.779968  2.512987 1.924675   3.500000 3.800000   1.500000 3.900000   18.91981 6.836222   16.59898   6.682697 2.320831 9.559936 
1 1 1    1   11    9 o 81.57761 1.859303  76.49592 2.440816   77.20000 4.600000   75.70000 5.200000   81.99506 2.449683   81.16017   2.797693 0.8348846 3.718606 
1 1 1    1   11   10 o 57.04663 2.010958  37.52838 1.844595   38.90000 3.500000   36.00000 3.900000   58.17066 2.627264   55.92259   3.045208 2.248070 4.021916 
1 1 1    1   11   11 o 21.72382 4.045122  5.718033 1.521312   3.200000 3.200000   8.000000 2.900000   17.66994 6.285953   25.77770   5.093019 -8.107758 8.090243 
1 1 1    1   11   12 o 29.60640 3.311541  10.10323 1.509677   7.000000 2.600000   14.40000 3.600000   24.05888 4.885643   35.15392   4.471657 -11.09504 6.623083 
1 1 1    1   11   13 o 27.97237 4.158476  9.545206 1.797260   8.800000 3.200000   10.50000 4.100000   26.83745 5.393647   29.10729   6.330899 -2.269842 8.316953 
1 1 1    1   11   14 o 56.19321 2.251735  36.52439 2.039024   34.30000 3.800000   39.10000 4.400000   54.38539 3.050992   58.00102   3.312506 -3.615631 4.503471 
1 1 1    1   11   15 o 31.77504 3.403823  12.46000 1.560000   11.20000 3.900000   13.30000 2.600000   29.83816 5.916319   33.71193   3.367670 -3.873768 6.807645 
1 1 1    1   11   16 o 13.36849 4.171259 -0.2600000 1.634286   0.000000 2.600000 -0.7000000 4.400000   12.00725 5.182660   14.72974   6.537405 -2.722485 8.342519 
1 1 1    1   11   17 o 36.01210 3.167308  15.83014 1.808219   21.20000 4.000000   11.40000 3.300000   41.70488 4.188059   30.31931   4.752633 11.38556 6.334616 
1 1 1    1   11   18 o 14.91027 4.448059 -0.1518519 2.009876  -4.400000 3.700000   4.900000 4.400000   10.61806 5.116642   19.20249   7.277424 -8.584435 8.896118 
1 1 1    1   11   19 o 13.43776 4.069699 0.6953846 1.593846   1.600000 2.800000 -0.5000000 3.700000   13.80524 5.624509   13.07027   5.883426 0.7349701 8.139399 
1 1 1    1   13    0 o 26.35208 4.141913  8.428572 1.714286   9.200000 3.000000   7.400000 4.000000   28.10664 4.660709   24.59751   6.848327 3.509130 8.283827 
1 1 1    1   13    1 o 64.75264 2.315594  48.47216 2.424742   50.60000 4.800000   46.30000 4.900000   66.20824 3.165694   63.29704   3.380278 2.911201 4.631187 
1 1 1    1   13    2 o 34.82921 4.457881  14.61856 2.393815   13.20000 4.300000   16.40000 5.400000   33.01161 5.904515   36.64680   6.680383 -3.635189 8.915762 
1 1 1    1   13    3 o 48.81525 2.310138  27.49178 1.816438   26.70000 3.400000   28.40000 3.900000   48.08636 3.087427   49.54413   3.437258 -1.457771 4.620275 
1 1 1    1   13    4 o 31.28577 4.733420  12.06344 2.318280   12.30000 4.400000   11.80000 4.900000   31.71941 6.279350   30.85213   7.084549 0.8672829 9.466841 
1 1 1    1   13    5 o 32.30054 3.522329  11.96892 1.801351   10.00000 3.100000   14.70000 4.300000   29.25044 4.627740   35.35063   5.311424 -6.100191 7.044658 
1 1 1    1   13    6 o 63.08612 2.007777  46.00976 2.048780   45.60000 4.200000   46.40000 4.000000   62.79484 2.920552   63.37739   2.755912 -0.5825500 4.015554 
1 1 1    1   13    7 o 30.26201 5.072864  11.61633 2.445918   12.00000 4.700000   11.20000 5.100000   30.89141 6.825437   29.63262   7.506611 1.258783 10.14573 
1 1 1    1   13    8 o 64.09016 2.393579  47.88586 2.468687   49.50000 4.700000   46.10000 5.200000   65.29982 3.142864   62.88050   3.610996 2.419323 4.787159 
1 1 1    1   13    9 f 23.26864 4.808775  6.511393 1.903798   4.000000 3.200000   10.20000 4.700000   18.50970 6.304372   28.02759   7.263070 -9.517889 9.617551 
1 1 1    1   13   10 o 15.90639 4.678627  1.250000 1.995000   2.300000 4.200000  0.3000000 3.800000   17.20693 6.932321   14.60586   6.284992 2.601066 9.357254 
1 1 1    1   13   11 f 40.33252 3.003702  19.62468 1.922078   22.70000 3.700000   16.30000 4.000000   43.85852 3.683727   36.80651   4.745424 7.052006 6.007403 
1 1 1    1   13   12 o 17.69358 4.369661  3.350000 1.687500   5.300000 2.700000  0.1000000 4.500000   20.18476 5.628863   15.20240   6.685180 4.982360 8.739322 
1 1 1    1   13   13 o 13.61128 4.224824 -0.9589041 1.747945  -3.700000 2.900000   3.200000 4.400000   9.486079 4.560718   17.73648   7.113116 -8.250403 8.449649 
1 1 1    1   13   14 o 11.43700 3.809824 -2.894595 1.837838  -1.700000 3.400000  -4.300000 4.000000   11.67817 5.399979   11.19583   5.375804 0.4823418 7.619648 
1 1 1    1   13   15 o 17.07699 4.624686  2.738750 1.998750   6.200000 3.900000 -0.9000000 4.100000   20.77108 6.960396   13.38289   6.091287 7.388188 9.249372 
1 1 1    1   13   16 o 12.09617 4.030192 -2.356097 2.039024  -1.800000 3.800000  -3.000000 4.400000   11.99422 5.601143   12.19813   5.796292 -0.2039099 8.060385 
1 1 1    1   15    0 o 14.05058 4.542568 -1.539785 2.311828 -0.8000000 4.300000  -2.400000 5.000000   14.05083 6.332018   14.05034   6.515002 0.4949570E-03 9.085136 
1 1 1    1   15    1 o 18.41864 4.506253  3.960563 1.774648   1.200000 3.500000   6.800000 3.600000   14.58315 6.143540   22.25414   6.594103 -7.670984 9.012506 
1 1 1    1   15    2 o 15.79328 4.412986  2.150000 1.744286   3.800000 3.300000  0.3000000 3.700000   17.58848 6.368243   13.99808   6.110915 3.590397 8.825973 
1 1 1    1   15    3 o 17.55857 4.854953  2.651111 2.178889   5.200000 3.700000  -1.000000 5.300000   19.80691 6.778872   15.31023   6.951918 4.496679 9.709907 
1 1 1    1   15    4 o 29.40623 4.770332  11.91685 2.222472   11.40000 4.600000   12.40000 4.300000   28.52591 7.075682   30.28655   6.399920 -1.760647 9.540664 
1 1 1    1   15    5 o 15.90207 4.415130  2.114084 1.774648 -0.4000000 3.500000   4.700000 3.600000   12.95545 5.785067   18.84869   6.671317 -5.893242 8.830259 
1 1 1    1   15    6 o 25.19311 5.360415  9.273787 2.555340   4.300000 4.700000   15.20000 5.600000   18.63346 7.391506   31.75276   7.765427 -13.11930 10.72083 
1 1 1    1   15    7 o 16.62922 5.086105  1.845000 2.451000   1.200000 4.300000   2.700000 5.700000   15.35161 6.645509   17.90682   7.701368 -2.555215 10.17221 
1 1 1    1   15    8 o 13.87905 4.312909 0.2105263 1.894737  -1.000000 4.000000   1.300000 3.600000   13.19145 6.008942   14.56665   6.188486 -1.375201 8.625818 
1 1 1    1   15    9 o 11.74735 3.859213 -2.397297 1.837838 -0.1000000 3.400000  -5.100000 4.000000   12.79744 5.709087   10.69727   5.194269 2.100173 7.718426 
1 1 1    1   15   10 o 18.51062 4.623800  4.970423 1.766197   5.900000 3.300000   3.900000 3.800000   19.92895 6.387022   17.09228   6.687605 2.836666 9.247601 
1 1 1    2    0    0 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    2    0    1 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    2    0    2 o 195.0206 2.643145  435.8000 11.80000   435.8000 11.80000   435.8000 11.80000   195.0206 2.643145   195.0206   2.643145 0.000000 0.000000 
1 1 1    2    0    3 o 332.0597 4.117355  1263.500 31.30000   1263.500 31.30000   1263.500 31.30000   332.0597 4.117355   332.0597   4.117355 0.000000 0.000000 
1 1 1    2    0    4 o 565.9539 9.179058  3674.600 118.9000   3674.600 118.9000   3674.600 118.9000   565.9539 9.179058   565.9539   9.179058 0.000000 0.000000 
1 1 1    2    0    5 o 381.0955 4.779647  1664.100 41.70000   1664.100 41.70000   1664.100 41.70000   381.0955 4.779647   381.0955   4.779647 0.000000 0.000000 
1 1 1    2    0    6 o 517.2996 6.189301  3066.800 73.30000   3066.800 73.30000   3066.800 73.30000   517.2996 6.189301   517.2996   6.189301 0.000000 0.000000 
1 1 1    2    0    7 f 332.4480 4.178281  1266.400 31.80000   1266.400 31.80000   1266.400 31.80000   332.4480 4.178281   332.4480   4.178281 0.000000 0.000000 
1 1 1    2    0    8 o 132.4438 1.913111  201.0000 5.800000   201.0000 5.800000   201.0000 5.800000   132.4438 1.913111   132.4438   1.913111 0.000000 0.000000 
1 1 1    2    0    9 o 23.86984 2.851518  6.800000 1.500000   6.800000 1.500000   6.800000 1.500000   23.86984 2.851518   23.86984   2.851518 0.000000 0.000000 
1 1 1    2    0   10 o 198.6192 2.903364  452.1000 13.20000   452.1000 13.20000   452.1000 13.20000   198.6192 2.903364   198.6192   2.903364 0.000000 0.000000 
1 1 1    2    0   11 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    2    0   12 o 217.7546 2.788352  543.3000 13.90000   543.3000 13.90000   543.3000 13.90000   217.7546 2.788352   217.7546   2.788352 0.000000 0.000000 
1 1 1    2    0   13 o 569.5674 6.641182  3718.800 86.60000   3718.800 86.60000   3718.800 86.60000   569.5674 6.641182   569.5674   6.641182 0.000000 0.000000 
1 1 1    2    0   14 o 443.9683 5.283243  2259.200 53.70000   2259.200 53.70000   2259.200 53.70000   443.9683 5.283243   443.9683   5.283243 0.000000 0.000000 
1 1 1    2    0   15 o 145.9616 2.454664  244.2000 8.200000   244.2000 8.200000   244.2000 8.200000   145.9616 2.454664   145.9616   2.454664 0.000000 0.000000 
1 1 1    2    0   16 o 344.2633 4.326711  1358.700 34.10000   1358.700 34.10000   1358.700 34.10000   344.2633 4.326711   344.2633   4.326711 0.000000 0.000000 
1 1 1    2    0   17 o 163.7091 2.535277  307.2000 9.500000   307.2000 9.500000   307.2000 9.500000   163.7091 2.535277   163.7091   2.535277 0.000000 0.000000 
1 1 1    2    0   18 o 76.72939 2.166433  67.60000 3.800000   67.60000 3.800000   67.60000 3.800000   76.72939 2.166433   76.72939   2.166433 0.000000 0.000000 
1 1 1    2    0   19 o 292.9547 3.802281  984.9000 25.50000   984.9000 25.50000   984.9000 25.50000   292.9547 3.802281   292.9547   3.802281 0.000000 0.000000 
1 1 1    2    0   20 o 37.30437 4.238048  16.60000 3.500000   16.60000 3.500000   16.60000 3.500000   37.30437 4.238048   37.30437   4.238048 0.000000 0.000000 
1 1 1    2    0   21 o 83.31357 2.310109  79.80000 4.400000   79.80000 4.400000   79.80000 4.400000   83.31357 2.310109   83.31357   2.310109 0.000000 0.000000 
1 1 1    2    0   22 o 16.90823 7.885577  4.900000 3.400000   4.900000 3.400000   4.900000 3.400000   16.90823 7.885577   16.90823   7.885577 0.000000 0.000000 
1 1 1    2    0   23 o 15.94464 7.037433  4.300000 2.700000   4.300000 2.700000   4.300000 2.700000   15.94464 7.037433   15.94464   7.037433 0.000000 0.000000 
1 1 1    2    0   24 o 22.47201 8.217005  8.100000 3.900000   8.100000 3.900000   8.100000 3.900000   22.47201 8.217005   22.47201   8.217005 0.000000 0.000000 
1 1 1    2    0   25 o 70.26952 2.618137  57.50000 4.200000   57.50000 4.200000   57.50000 4.200000   70.26952 2.618137   70.26952   2.618137 0.000000 0.000000 
1 1 1    2    0   26 o 13.63389 7.579802  3.500000 3.500000   3.500000 3.500000   3.500000 3.500000   13.63389 7.579802   13.63389   7.579802 0.000000 0.000000 
1 1 1    2    2    0 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    2    2    1 o 290.0532 2.699007  963.9326 12.67456   949.9000 25.50000   977.8000 25.20000   287.9523 3.866868   292.1541   3.766416 -4.201782 5.398014 
1 1 1    2    2    2 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    2    2    3 o 474.9337 4.014423  2584.268 30.87045   2557.300 61.00000   2611.900 62.50000   472.4276 5.638120   477.4399   5.716116 -5.012360 8.028847 
1 1 1    2    2    4 o 615.6951 7.382861  0.000000 0.000000          ?        ?   4345.000 104.1000          ?        ?   615.6951   7.382861       ?       ? 
1 1 1    2    2    5 o 516.5389 4.366536  3055.543 36.47693   3134.300 75.70000   2982.300 70.40000   522.9473 6.320882   510.1305   6.026028 12.81680 8.733072 
1 1 1    2    2    6 o 398.7448 3.536509  1822.030 22.81709   1798.500 46.50000   1844.700 44.80000   396.2115 5.124666   401.2781   4.874973 -5.066620 7.073017 
1 1 1    2    2    7 o 112.0925 1.350150  143.8143 2.445918   146.0000 5.100000   141.8000 4.700000   112.9100 1.972320   111.2750   1.844335 1.634972 2.700300 
1 1 1    2    2    8 o 237.7977 3.121627  0.000000 0.000000          ?        ?   647.8000 17.00000          ?        ?   237.7977   3.121627       ?       ? 
1 1 1    2    2    9 o 412.0090 4.029260  1950.120 24.29914   1959.200 38.70000   1934.800 65.30000   413.4654 4.087065   410.5527   6.945188 2.912720 8.058519 
1 1 1    2    2   10 o 186.5363 2.154625  398.8027 6.414672   400.7000 11.70000   396.5000 14.20000   187.0351 2.731507   186.0374   3.332943 0.9977417 4.309250 
1 1 1    2    2   11 f 329.1434 3.233959  1250.313 16.15178   1283.500 27.00000   1200.900 40.20000   334.6895 3.522584   323.5973   5.424515 11.09225 6.467918 
1 1 1    2    2   12 o 777.4156 12.66581  6969.200 225.5000   6969.200 225.5000          ?        ?   777.4156 12.66581          ?          ?       ?       ? 
1 1 1    2    2   13 o 180.9696 2.093682  370.6823 5.435294   359.6000 8.400000   391.0000 15.40000   177.1982 2.069950   184.7411   3.639963 -7.542923 4.187365 
1 1 1    2    2   14 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    2    2   15 o 297.2756 2.989218  1002.932 12.94125   975.6000 20.30000   1051.000 35.70000   291.8156 3.037577   302.7357   5.149254 -10.92017 5.978436 
1 1 1    2    2   16 o 159.0202 2.078698  287.5804 4.888995   280.9000 7.800000   298.8000 13.10000   156.5921 2.175027   161.4484   3.543049 -4.856369 4.157396 
1 1 1    2    2   17 o 296.8608 3.113630  1014.931 13.82405   1028.600 22.60000   993.4000 35.60000   299.5630 3.294276   294.1585   5.284554 5.404510 6.227259 
1 1 1    2    2   18 o 180.1393 2.148203  369.2000 5.745306   360.0000 9.200000   384.5000 15.30000   177.2356 2.266609   183.0430   3.649876 -5.807419 4.296407 
1 1 1    2    2   19 o 101.8494 1.637321  117.7449 2.571963   112.4000 4.300000   125.7000 6.400000   99.02719 1.896067   104.6717   2.669872 -5.644516 3.274643 
1 1 1    2    2   20 o 150.7214 2.060988  262.6286 4.695919   268.2000 7.800000   254.2000 11.80000   152.8656 2.228048   148.5773   3.467923 4.288330 4.121976 
1 1 1    2    2   21 o 53.69932 2.166765  33.02267 1.834667   31.70000 3.200000   34.80000 4.300000   52.48889 2.662087   54.90975   3.419470 -2.420864 4.333530 
1 1 1    2    2   22 o 53.29083 2.000881  32.53043 1.695652   30.40000 3.000000   35.30000 3.900000   51.34382 2.551366   55.23785   3.082958 -3.894028 4.001762 
1 1 1    2    2   23 o 33.52159 3.148989  13.42727 1.575758   13.90000 2.600000   12.70000 4.000000   34.52599 3.288265   32.51718   5.371391 2.008812 6.297978 
1 1 1    2    2   24 o 14.62654 4.229018  1.196875 1.585938  0.2000000 2.900000   2.400000 3.500000   12.84724 5.508377   16.40584   6.418423 -3.558598 8.458035 
1 1 1    2    2   25 o 31.07206 4.270896  11.67143 1.832143   9.100000 2.700000   17.10000 5.700000   27.25965 4.324970   34.88447   7.365924 -7.624819 8.541792 
1 1 1    2    2   26 o 37.52328 3.405432  15.99524 1.795238   11.60000 2.600000   25.80000 5.800000   30.86350 3.678475   44.18306   5.732075 -13.31956 6.810864 
1 1 1    2    4    0 o 227.7336 2.162522  593.8157 7.971160   585.6000 15.60000   602.4000 16.30000   226.1239 3.012436   229.3433   3.103425 -3.219376 4.325045 
1 1 1    2    4    1 o 534.2960 4.490219  3271.322 38.84994   3292.900 77.80000   3249.800 77.60000   536.0566 6.337364   532.5353   6.362869 3.521301 8.980438 
1 1 1    2    4    2 o 488.2197 4.101297  2731.041 32.42498   2718.900 64.80000   2743.200 64.90000   487.1332 5.808539   489.3061   5.791669 -2.172882 8.202595 
1 1 1    2    4    3 o 480.4273 4.074909  2644.918 31.69046   2631.800 62.30000   2658.500 64.50000   479.2209 5.676649   481.6337   5.847665 -2.412872 8.149817 
1 1 1    2    4    4 f 543.5251 4.649751  3387.466 40.92315   3382.400 81.30000   3392.600 82.40000   543.1205 6.536332   543.9297   6.614913 -0.8092041 9.299501 
1 1 1    2    4    5 o 21.08533 1.695245  5.117391 0.5739130   5.500000 1.100000   4.700000 1.200000   21.91392 2.191858   20.25674   2.586732 1.657179 3.390490 
1 1 1    2    4    6 o 189.7087 2.009403  411.5725 6.162753   390.6000 11.80000   434.5000 12.90000   184.6596 2.790293   194.7578   2.892242 -10.09818 4.018806 
1 1 1    2    4    7 o 310.6396 2.848170  1105.553 14.31239   1117.600 29.50000   1094.200 27.80000   312.2766 4.124984   309.0026   3.928460 3.273987 5.696340 
1 1 1    2    4    8 o 258.5621 3.326910  765.9000 19.70000   765.9000 19.70000          ?        ?   258.5621 3.326910          ?          ?       ?       ? 
1 1 1    2    4    9 o 219.0128 3.110386  549.0895 10.98957   561.4000 23.30000   538.1000 20.80000   221.3256 4.596888   216.7000   4.191256 4.625626 6.220772 
1 1 1    2    4   10 o 306.1208 2.864705  1073.504 14.19366   1083.000 29.00000   1064.400 27.80000   307.4436 4.118815   304.7982   3.982650 2.645416 5.729410 
1 1 1    2    4   11 o 216.2005 2.099858  535.4639 7.348639   540.1000 14.50000   530.7000 14.90000   217.1506 2.915725   215.2504   3.022609 1.900192 4.199716 
1 1 1    2    4   12 o 309.2339 2.700971  1094.312 13.49612   1128.000 28.30000   1063.600 25.80000   313.7730 3.938316   304.6947   3.697383 9.078339 5.401942 
1 1 1    2    4   13 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    2    4   14 o 227.4980 2.232692  592.8596 8.221276   586.4000 16.10000   599.6000 16.80000   226.2340 3.107475   228.7619   3.206751 -2.527893 4.465384 
1 1 1    2    4   15 f 218.1945 2.696388  546.7235 9.022460   550.3000 15.20000   541.5000 22.20000   219.1284 3.028898   217.2606   4.461817 1.867844 5.392776 
1 1 1    2    4   16 o 125.0600 2.107624  176.1771 3.773494   168.7000 5.800000   190.1000 10.80000   121.3538 2.086961   128.7663   3.662363 -7.412453 4.215247 
1 1 1    2    4   17 o 56.12155 2.761014  37.06667 2.066667   38.80000 3.100000   33.60000 6.200000   58.18462 2.326447   54.05849   5.008037 4.126133 5.522028 
1 1 1    2    4   18 o 144.7262 1.966154  241.3000 4.320000   245.1000 7.200000   235.6000 10.80000   146.2154 2.150202   143.2370   3.292367 2.978363 3.932308 
1 1 1    2    4   19 o 72.62326 2.001257  58.65807 2.129032   53.30000 3.300000   68.40000 6.000000   68.15756 2.114168   77.08896   3.398590 -8.931396 4.002514 
1 1 1    2    4   20 o 77.09349 1.689547  68.80723 2.038554   71.80000 3.600000   64.90000 4.700000   79.08426 1.987706   75.10272   2.732636 3.981537 3.379094 
1 1 1    2    4   21 o 49.48868 2.580593  28.73846 1.765385   29.50000 2.700000   27.30000 5.100000   50.62839 2.328678   48.34898   4.605986 2.279411 5.161186 
1 1 1    2    4   22 o 75.17745 2.104048  68.16843 2.210526   74.80000 3.500000   56.80000 6.000000   80.61823 1.895721   69.73667   3.756901 10.88156 4.208096 
1 1 1    2    4   23 o 36.09958 2.830135  15.40303 1.625758   14.70000 2.900000   16.30000 3.700000   35.29673 3.587593   36.90242   4.378109 -1.605686 5.660271 
1 1 1    2    4   24 o 15.69639 3.892780  2.050000 1.485000   5.200000 2.700000  -1.800000 3.300000   19.81878 5.665049   11.57400   5.340614 8.244787 7.785560 
1 1 1    2    4   25 o 16.07953 4.609629  2.561333 1.754667   2.300000 2.800000   3.000000 4.700000   14.78522 5.752832   17.37384   7.204142 -2.588619 9.219258 
1 1 1    2    4   26 o 19.97561 4.880950  5.964286 1.928571   6.500000 3.000000   5.000000 5.400000   21.19308 5.941600   18.75814   7.745456 2.434942 9.761901 
1 1 1    2    6    0 o 105.8676 1.244739  127.8047 2.089412   133.0000 4.800000   123.8000 3.700000   107.7628 1.944967   103.9725   1.553900 3.790283 2.489478 
1 1 1    2    6    1 o 91.58989 1.264012  95.96800 1.872000   92.80000 3.600000   99.40000 3.900000   90.01720 1.746291   93.16258   1.827944 -3.145378 2.528025 
1 1 1    2    6    2 o 168.4366 1.805255  324.4924 4.914721   311.8000 9.400000   338.4000 10.30000   164.9911 2.487752   171.8822   2.616652 -6.891144 3.610510 
1 1 1    2    6    3 o 113.4959 1.360234  147.3920 2.496000   143.6000 4.800000   151.5000 5.200000   111.9769 1.871770   115.0149   1.974191 -3.037918 2.720469 
1 1 1    2    6    4 o 372.5565 3.356472  1590.440 20.24000   1616.200 41.40000   1565.800 39.60000   375.5019 4.814242   369.6111   4.678320 5.890778 6.712943 
1 1 1    2    6    5 o 198.1506 2.318503  445.1231 7.023129   426.5000 11.60000   473.7000 17.80000   192.9676 2.624904   203.3336   3.822526 -10.36607 4.637006 
1 1 1    2    6    6 o 490.3690 4.165500  2757.816 33.05684   2731.400 64.60000   2785.500 67.70000   487.9809 5.780553   492.7571   5.999229 -4.776215 8.330999 
1 1 1    2    6    7 f 222.6904 2.267063  567.6074 8.162080   581.8000 17.00000   554.5000 15.70000   225.3636 3.293859   220.0173   3.115893 5.346237 4.534125 
1 1 1    2    6    8 o 380.9109 3.230209  1662.614 19.92422   1668.400 40.10000   1656.900 39.60000   381.5683 4.588933   380.2535   4.547384 1.314728 6.460419 
1 1 1    2    6    9 o 352.9348 3.110511  1427.504 17.77328   1416.800 35.90000   1438.000 35.20000   351.6208 4.458201   354.2488   4.338843 -2.628021 6.221022 
1 1 1    2    6   10 o 220.5165 2.296016  556.5415 8.189024   575.2000 17.00000   539.2000 15.80000   224.0773 3.312766   216.9556   3.179991 7.121674 4.592032 
1 1 1    2    6   11 o 296.8755 2.802800  1008.742 13.36803   1027.500 29.00000   992.7000 24.80000   299.4160 4.229243   294.3351   3.679166 5.080994 5.605600 
1 1 1    2    6   12 o 111.7340 1.575122  143.0000 2.850000   143.0000 5.700000   143.0000 5.700000   111.7340 2.227559   111.7340   2.227559 0.000000 3.150244 
1 1 1    2    6   13 o 294.0183 3.389717  989.8499 15.27937   980.9000 25.60000   1003.100 37.90000   292.4863 3.821854   295.5503   5.599478 -3.063965 6.779434 
1 1 1    2    6   14 o 351.8828 3.136641  1418.915 17.84559   1375.500 34.30000   1466.000 37.20000   346.2933 4.325036   357.4723   4.544021 -11.17892 6.273281 
1 1 1    2    6   15 o 192.9983 2.135790  426.9652 6.670412   420.1000 13.00000   434.2000 13.70000   191.4104 2.965634   194.5862   3.074315 -3.175812 4.271580 
1 1 1    2    6   16 o 113.1514 1.697864  146.6258 3.070968   145.0000 5.600000   148.6000 6.800000   112.4707 2.174143   113.8320   2.608461 -1.361229 3.395728 
1 1 1    2    6   17 o 118.2605 1.618557  160.2097 3.092742   154.5000 5.900000   166.5000 6.500000   116.0558 2.219856   120.4652   2.356088 -4.409348 3.237115 
1 1 1    2    6   18 o 41.69098 2.478098  20.23939 1.643939   17.80000 3.500000   22.40000 3.100000   39.26563 3.892201   44.11634   3.068329 -4.850716 4.956195 
1 1 1    2    6   19 o 95.44043 1.814963  104.8848 2.791964   105.5000 5.300000   104.2000 5.900000   95.76451 2.416635   95.11634   2.708548 0.6481705 3.629925 
1 1 1    2    6   20 f 82.66636 2.205958  78.58974 2.830769   75.80000 4.800000   82.60000 6.900000   81.03925 2.586339   84.29346   3.574332 -3.254211 4.411916 
1 1 1    2    6   21 o 65.52974 1.909749  49.60759 1.860759   49.00000 3.000000   50.60000 4.900000   65.18690 2.009558   65.87257   3.248113 -0.6856689 3.819498 
1 1 1    2    6   22 o 24.63191 3.898241  8.472973 1.686486   12.90000 2.600000  0.3000000 4.800000   33.12874 3.426953   16.13509   7.002937 16.99365 7.796483 
1 1 1    2    6   23 o 27.73004 3.925419  10.04706 1.694118   10.00000 3.200000   10.10000 3.600000   27.85855 5.207151   27.60152   5.875478 0.2570381 7.850839 
1 1 1    2    6   24 o 22.26838 4.773779  6.957647 1.804706   7.600000 2.600000   5.500000 5.900000   24.16090 4.867199   20.37586   8.213784 3.785044 9.547559 
1 1 1    2    8    0 o 135.9891 1.624528  211.6825 3.566434   209.4000 6.800000   214.2000 7.500000   135.2196 2.195883   136.7586   2.394674 -1.539001 3.249056 
1 1 1    2    8    1 o 53.59783 1.556294  32.89630 1.348148   33.00000 2.800000   32.80000 2.600000   53.67898 2.277684   53.51668   2.121406 0.1623001 3.112589 
1 1 1    2    8    2 o 99.15157 1.494938  112.6000 2.400000   114.7000 4.800000   110.5000 4.800000   100.0764 2.094350   98.22674   2.133788 1.849648 2.989875 
1 1 1    2    8    3 o 104.5809 1.534599  124.8548 2.591346   137.6000 5.500000   113.5000 4.900000   109.6110 2.191029   99.55075   2.149271 10.06030 3.069198 
1 1 1    2    8    4 o 149.1173 1.656217  254.4069 3.994375   245.6000 7.700000   263.9000 8.300000   146.4391 2.296008   151.7956   2.387584 -5.356491 3.312433 
1 1 1    2    8    5 o 177.9715 1.935219  362.8538 5.572197   360.4000 11.40000   365.2000 10.90000   177.3814 2.806315   178.5615   2.665498 -1.180099 3.870437 
1 1 1    2    8    6 o 234.5058 2.304029  629.8531 8.747429   615.7000 17.20000   644.5000 17.80000   231.8264 3.239703   237.1851   3.276969 -5.358643 4.608058 
1 1 1    2    8    7 o 424.4821 3.691495  2066.193 25.37438   2088.100 51.00000   2044.500 50.50000   426.7215 5.218736   422.2426   5.222387 4.478973 7.382989 
1 1 1    2    8    8 o 255.2441 2.371745  746.5816 9.795918   750.5000 19.20000   742.5000 20.00000   255.9318 3.275795   254.5563   3.430724 1.375458 4.743490 
1 1 1    2    8    9 o 196.9917 1.983110  444.6798 6.324901   437.1000 12.70000   452.2000 12.60000   195.3177 2.839238   198.6657   2.769410 -3.348022 3.966220 
1 1 1    2    8   10 o 229.6377 2.313852  604.6302 8.595348   610.1000 16.80000   598.9000 17.60000   230.7083 3.179697   228.5671   3.362317 2.141220 4.627705 
1 1 1    2    8   11 o 107.2174 1.757069  131.5688 3.046721   142.0000 6.300000   121.8000 5.900000   111.3288 2.471001   103.1060   2.498662 8.222710 3.514137 
1 1 1    2    8   12 o 83.77028 1.953551  80.45000 2.650000   81.20000 5.300000   79.70000 5.300000   84.16122 2.749816   83.37934   2.775602 0.7818756 3.907103 
1 1 1    2    8   13 o 234.7915 2.367353  631.8225 8.977500   651.3000 18.90000   614.2000 17.10000   238.2158 3.464423   231.3671   3.227262 6.848679 4.734706 
1 1 1    2    8   14 o 49.70578 2.571285  28.23580 1.913580   27.70000 3.100000   29.10000 5.000000   49.13206 2.755094   50.27951   4.342289 -1.147449 5.142569 
1 1 1    2    8   15 o 38.92371 2.495133  17.23333 1.555556   14.30000 2.800000   20.90000 3.500000   35.24550 3.468918   42.60192   3.587389 -7.356422 4.990266 
1 1 1    2    8   16 o 65.87983 1.952931  49.67831 2.038554   47.90000 3.600000   52.00000 4.700000   64.56122 2.434840   67.19844   3.054065 -2.637222 3.905863 
1 1 1    2    8   17 o 53.28328 2.519271  32.29310 2.110345   28.90000 3.600000   37.10000 5.100000   50.02453 3.142384   56.54203   3.938569 -6.517502 5.038542 
1 1 1    2    8   18 o 26.66483 4.413561  8.860001 1.874667   8.100000 3.800000   9.600000 3.700000   25.46724 6.495045   27.86242   5.977664 -2.395185 8.827122 
1 1 1    2    8   19 o 26.00721 4.214934  8.264286 1.698571   6.400000 2.900000   10.90000 4.100000   22.61545 5.623147   29.39898   6.280359 -6.783525 8.429869 
1 1 1    2    8   20 o 26.56791 4.379891  9.100000 1.850000   8.800000 3.700000   9.400000 3.700000   26.09201 6.270003   27.04381   6.117257 -0.9518051 8.759782 
1 1 1    2    8   21 o 22.18529 4.996152  6.843210 2.024691   7.400000 4.100000   6.300000 4.000000   22.97749 7.086281   21.39309   7.044909 1.584402 9.992304 
1 1 1    2    8   22 o 12.94325 4.147006 -0.7720000 1.858667 -0.5000000 3.400000  -1.100000 4.100000   12.61195 5.661667   13.27455   6.061035 -0.6625957 8.294011 
1 1 1    2    8   23 o 14.08177 4.256553 0.3621622 1.848649   3.700000 3.800000  -2.800000 3.600000   17.03106 6.680896   11.13249   5.276230 5.898569 8.513105 
1 1 1    2   10    0 o 88.90737 1.910912  90.60000 2.750000   87.50000 5.500000   93.70000 5.500000   87.38485 2.748313   90.42989   2.655770 -3.045044 3.821824 
1 1 1    2   10    1 o 107.6815 1.720816  132.8608 2.999167   133.5000 5.900000   132.2000 6.100000   107.9461 2.386627   107.4169   2.479686 0.5291977 3.441632 
1 1 1    2   10    2 o 144.7156 1.718142  239.9174 4.021118   238.9000 7.800000   241.0000 8.300000   144.4015 2.358645   145.0298   2.498967 -0.6283264 3.436284 
1 1 1    2   10    3 o 43.48130 3.151178  21.98276 2.151724   24.00000 3.900000   19.50000 4.800000   45.74952 3.722355   41.21309   5.085642 4.536430 6.302356 
1 1 1    2   10    4 o 189.0313 2.031469  409.0919 6.151210   404.9000 11.30000   414.1000 13.50000   187.9818 2.624837   190.0807   3.101240 -2.098892 4.062937 
1 1 1    2   10    5 o 116.1033 1.826201  154.7044 3.420438   160.1000 6.600000   148.9000 7.100000   118.2120 2.437934   113.9946   2.719655 4.217438 3.652403 
1 1 1    2   10    6 o 186.9780 2.047697  400.7347 6.199597   408.9000 12.50000   392.7000 12.30000   188.8680 2.889957   185.0880   2.901793 3.779953 4.095394 
1 1 1    2   10    7 o 146.2358 1.734076  245.0268 4.084756   246.3000 8.700000   243.9000 7.700000   146.5858 2.591594   145.8857   2.304718 0.7001343 3.468153 
1 1 1    2   10    8 o 130.0587 1.699624  194.0119 3.570629   197.1000 6.900000   190.7000 7.400000   131.1377 2.297530   128.9798   2.505242 2.157898 3.399248 
1 1 1    2   10    9 o 141.9216 1.864986  230.9316 4.250292   231.9000 9.200000   230.1000 7.900000   142.1816 2.825427   141.6616   2.435088 0.5200348 3.729972 
1 1 1    2   10   10 o 151.4666 1.875558  263.2500 4.600000   267.1000 9.200000   259.4000 9.200000   152.5765 2.632933   150.3567   2.671804 2.219803 3.751117 
1 1 1    2   10   11 o 48.11187 2.705154  26.90602 2.050602   28.60000 3.700000   24.80000 4.600000   49.86727 3.239857   46.35647   4.332985 3.510799 5.410308 
1 1 1    2   10   12 o 150.6057 1.947558  260.6042 4.745263   254.6000 9.200000   267.0000 9.800000   148.8271 2.699264   152.3843   2.808184 -3.557159 3.895115 
1 1 1    2   10   13 o 42.77210 2.844771  21.94000 1.848000   25.90000 3.300000   16.90000 4.200000   47.41555 3.039015   38.12866   4.809915 9.286884 5.689543 
1 1 1    2   10   14 o 82.55864 1.684904  78.49778 2.248889   76.30000 4.600000   80.60000 4.400000   81.41238 2.467215   83.70490   2.295311 -2.292519 3.369807 
1 1 1    2   10   15 o 50.16026 2.180300  28.66479 1.732394   25.20000 3.000000   33.40000 4.100000   46.68362 2.806056   53.63690   3.337796 -6.953278 4.360600 
1 1 1    2   10   16 o 40.37063 2.609479  19.10000 1.700000   17.30000 3.400000   20.90000 3.400000   38.42371 3.863841   42.31754   3.508312 -3.893826 5.218958 
1 1 1    2   10   17 o 28.94142 4.035454  10.31667 1.631944   9.900000 2.500000   11.10000 4.700000   28.93009 3.773375   28.95275   7.134507 -0.2266693E-01 8.070908 
1 1 1    2   10   18 o 28.91245 3.736374  10.46471 1.676471   10.20000 3.000000   10.80000 3.800000   28.98967 4.518744   28.83524   5.951716 0.1544323 7.472749 
1 1 1    2   10   19 o 20.72106 4.517209  5.835294 1.698529   7.000000 3.300000   4.600000 3.500000   22.65701 6.186080   18.78510   6.584308 3.871906 9.034417 
1 1 1    2   10   20 o 24.68128 4.500076  8.634666 1.874667   6.000000 3.800000   11.20000 3.700000   20.58031 6.870708   28.78226   5.813441 -8.201952 9.000152 
1 1 1    2   10   21 o 17.59428 5.030393  3.850538 2.311828   1.700000 5.000000   5.700000 4.300000   15.84212 7.002982   19.34643   7.223411 -3.504312 10.06079 
1 1 1    2   12    0 o 22.26782 4.521517  5.384416 1.922078   9.800000 4.000000   1.300000 3.700000   28.49823 6.296689   16.03742   6.490621 12.46081 9.043034 
1 1 1    2   12    1 f 100.6471 1.794577  116.2385 2.923077   113.9000 5.700000   118.7000 6.000000   99.61240 2.498625   101.6818   2.576605 -2.069382 3.589153 
1 1 1    2   12    2 o 46.08926 2.372074  24.07324 1.746479   20.10000 3.100000   29.20000 4.000000   41.80600 3.237895   50.37252   3.467417 -8.566521 4.744148 
1 1 1    2   12    3 o 56.52532 2.323618  36.77177 2.124706   34.40000 4.200000   39.20000 4.300000   54.67450 3.354317   58.37614   3.216421 -3.701637 4.647236 
1 1 1    2   12    4 o 53.65623 2.905738  33.13564 2.512871   31.60000 4.700000   34.90000 5.400000   52.34308 3.920833   54.96937   4.289559 -2.626293 5.811476 
1 1 1    2   12    5 o 92.69129 1.759460  98.75238 2.596190   99.20000 4.700000   98.20000 5.800000   92.95797 2.207755   92.42461   2.740186 0.5333557 3.518920 
1 1 1    2   12    6 o 43.16415 2.540075  21.50282 1.774648   21.30000 3.600000   21.70000 3.500000   42.95712 3.659376   43.37119   3.523761 -0.4140663 5.080150 
1 1 1    2   12    7 o 62.51938 1.808225  44.98082 1.816438   44.50000 3.900000   45.40000 3.400000   62.18682 2.738457   62.85195   2.362109 -0.6651306 3.616449 
1 1 1    2   12    8 o 57.26900 2.421225  37.51111 2.222222   32.80000 4.000000   43.40000 5.000000   53.28877 3.277661   61.24924   3.564585 -7.960476 4.842451 
1 1 1    2   12    9 o 50.57743 2.538430  29.66988 2.074699   31.30000 4.100000   28.00000 4.200000   52.00891 3.442277   49.14595   3.731653 2.862957 5.076859 
1 1 1    2   12   10 o 86.13498 1.924132  85.78505 2.663551   87.00000 5.000000   84.40000 5.700000   86.84283 2.514061   85.42713   2.913525 1.415695 3.848263 
1 1 1    2   12   11 o 15.25377 4.170518 0.3750000 1.750000   4.000000 3.000000  -4.700000 4.200000   18.51710 6.101227   11.99043   5.687523 6.526672 8.341037 
1 1 1    2   12   12 o 48.03877 2.848299  27.40345 2.172414   20.50000 4.200000   34.80000 4.500000   41.58652 4.409977   54.49103   3.606013 -12.90451 5.696598 
1 1 1    2   12   13 o 15.29334 4.184270  1.378125 1.593750  -1.200000 3.000000   4.300000 3.400000   11.68147 5.274307   18.90521   6.497243 -7.223740 8.368541 
1 1 1    2   12   14 o 33.66040 3.385081  13.71233 1.783562   13.50000 3.100000   14.00000 4.200000   33.63279 4.024747   33.68801   5.443943 -0.5522919E-01 6.770163 
1 1 1    2   12   15 o 17.37272 4.531835  3.572059 1.663235   3.700000 2.900000   3.400000 3.900000   17.22622 5.995922   17.51922   6.796988 -0.2930088 9.063670 
1 1 1    2   12   16 f 29.06974 4.196113  11.96364 1.909091   15.60000 3.500000   7.600000 4.200000   35.40700 4.316369   22.73248   7.197112 12.67452 8.392226 
1 1 1    2   12   17 o 16.68157 4.108289  2.895238 1.574603   6.400000 3.200000 -0.5000000 3.100000   21.32523 6.188639   12.03790   5.404896 9.287332 8.216578 
1 1 1    2   14    0 o 17.64324 4.472278  3.313846 1.606154   2.600000 2.900000   4.200000 3.600000   16.10497 5.948040   19.18151   6.680263 -3.076542 8.944556 
1 1 1    2   14    1 o 29.55037 3.669597  10.11304 1.643478   5.300000 2.700000   17.60000 4.200000   20.62511 5.580668   38.47563   4.766540 -17.85051 7.339194 
1 1 1    2   14    2 o 20.24957 5.063860  4.473563 2.167816   2.200000 4.600000   6.500000 4.100000   17.78080 7.222715   22.71834   7.099514 -4.937546 10.12772 
1 1 1    2   14    3 o 14.10291 4.241875     -0.07 1.744286   2.100000 3.700000  -2.000000 3.300000   16.44449 6.547132   11.76134   5.395283 4.683146 8.483750 
1 1 1    2   14    4 o 15.28171 4.626489 0.4397590 2.007229   1.300000 3.400000 -0.8000000 4.900000   15.02923 6.169018   15.53418   6.896436 -0.5049496 9.252978 
1 1 1    2   14    5 o 18.46497 4.825420  3.200000 2.050000  0.3000000 4.100000   6.100000 4.100000   15.06334 6.504942   21.86659   7.129126 -6.803250 9.650840 
1 1 1    2   14    6 o 20.39221 4.055031  5.065671 1.629851   8.200000 2.800000  0.7000000 3.900000   25.67424 4.941469   15.11017   6.430785 10.56407 8.110062 
1 1 1    2   14    7 o 16.07512 4.554484  2.061111 1.731945   1.900000 2.900000   2.300000 4.300000   14.90201 5.839023   17.24823   6.991359 -2.346211 9.108968 
1 1 1    2   14    8 o 21.36092 4.364265  6.043940 1.643939   4.400000 3.500000   7.500000 3.100000   18.78000 6.584208   23.94184   5.730223 -5.161831 8.728531 
1 1 1    2   14    9 o 22.93242 4.416240  6.911765 1.647059   5.100000 2.800000   9.500000 4.000000   19.61617 5.816139   26.24866   6.647196 -6.632484 8.832479 
1 1 1    2   14   10 o 17.28878 4.509864  3.667164 1.629851   3.500000 2.800000   3.900000 3.900000   16.68348 5.885845   17.89409   6.834641 -1.210606 9.019728 
1 1 1    2   14   11 o 19.80858 5.090139  5.421176 2.122353   6.000000 4.100000   4.800000 4.400000   20.54008 7.130465   19.07709   7.265984 1.462992 10.18028 
1 1 1    2   14   12 o 30.51340 4.588446  13.15000 2.200000   11.60000 4.400000   14.70000 4.400000   28.31558 6.857987   32.71123   6.097816 -4.395655 9.176892 
1 1 1    2   14   13 o 9.443260 3.315847 -7.260000 1.866667  -4.700000 4.000000  -9.500000 3.500000   10.75984 5.217651   8.126684   4.093347 2.633152 6.631694 
1 1 1    2   16    0 o 17.06426 4.646251  3.400000 1.920000   5.000000 3.200000   1.000000 4.800000   18.75058 6.304770   15.37795   6.826453 3.372633 9.292502 
1 1 1    2   16    1 o 14.73990 4.502929  1.373077 1.903846  0.4000000 3.300000   2.700000 4.500000   13.01510 5.724050   16.46470   6.952751 -3.449609 9.005858 
1 1 1    2   16    2 o 21.19993 4.134374  6.100000 1.917949   11.20000 3.400000 -0.5000000 4.400000   28.64726 5.380017   13.75261   6.279140 14.89464 8.268747 
1 1 1    2   16    3 o 14.20706 4.633410 -0.7505051 2.468687  -1.700000 4.700000  0.3000000 5.200000   13.32274 6.224124   15.09139   6.865436 -1.768644 9.266819 
1 1 1    3    1    0 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    3    1    1 o 409.3847 3.457930  1920.226 22.91887   1971.400 46.60000   1870.700 45.10000   414.7494 4.906139   404.0200   4.874312 10.72940 6.915860 
1 1 1    3    1    2 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    3    1    3 o 102.4512 1.747457  0.000000 0.000000          ?        ?   120.2000 4.100000          ?        ?   102.4512   1.747457       ?       ? 
1 1 1    3    1    4 o 230.2926 2.436425  601.9349 8.291831   585.5000 13.20000   629.7000 22.30000   226.1130 2.549107   234.4722   4.152916 -8.359161 4.872849 
1 1 1    3    1    5 o 135.9210 1.746578  212.6101 3.519463   215.9000 5.700000   207.3000 9.200000   137.3071 1.812682   134.5349   2.986020 2.772202 3.493155 
1 1 1    3    1    6 o 318.8768 3.553755  1159.855 17.29155   1139.900 28.70000   1190.100 43.50000   315.4686 3.972514   322.2850   5.893712 -6.816345 7.107511 
1 1 1    3    1    7 o 318.6100 2.834290  1161.423 14.59385   1205.100 30.60000   1121.600 27.90000   324.3244 4.119851   312.8957   3.893537 11.42874 5.668581 
1 1 1    3    1    8 o 174.5356 1.815672  348.1458 5.089756   359.3000 11.10000   338.7000 9.400000   177.1081 2.736681   171.9632   2.386889 5.144974 3.631344 
1 1 1    3    1    9 o 339.2480 2.926374  1319.078 16.07496   1300.700 32.20000   1337.400 32.10000   336.8857 4.173622   341.6104   4.103115 -4.724701 5.852749 
1 1 1    3    1   10 o 374.0745 3.152833  1603.147 19.09162   1565.600 37.40000   1642.300 39.00000   369.6048 4.418489   378.5442   4.498708 -8.939392 6.305665 
1 1 1    3    1   11 o 411.4268 3.591781  1941.104 23.92059   1955.900 47.20000   1925.900 48.50000   413.0262 4.990041   409.8273   5.167501 3.198914 7.183563 
1 1 1    3    1   12 o 298.4041 2.793674  1020.204 13.49833   1038.000 27.30000   1002.800 26.70000   300.9772 3.960671   295.8309   3.941009 5.146271 5.587349 
1 1 1    3    1   13 o 672.1481 10.99846  0.000000 0.000000          ?        ?   5197.100 169.3000          ?        ?   672.1481   10.99846       ?       ? 
1 1 1    3    1   14 o 293.3970 2.599619  986.1846 12.34494   980.6000 24.20000   992.0000 25.20000   292.5523 3.612032   294.2417   3.739693 -1.689392 5.199239 
1 1 1    3    1   15 o 53.92458 1.719804  33.28333 1.498333   36.90000 3.100000   29.90000 2.900000   56.75812 2.384917   51.09105   2.478523 5.667072 3.439608 
1 1 1    3    1   16 o 290.2285 2.589924  964.3885 12.15236   925.3000 23.30000   1007.000 25.40000   284.0980 3.581190   296.3589   3.742445 -12.26086 5.179848 
1 1 1    3    1   17 o 103.8292 1.473665  123.6020 2.474747   118.4000 5.000000   128.7000 4.900000   101.6629 2.147568   105.9955   2.018591 -4.332581 2.947331 
1 1 1    3    1   18 o 143.3993 1.711676  235.6208 3.973585   228.9000 7.800000   242.6000 8.100000   141.3162 2.410141   145.4825   2.431163 -4.166275 3.423351 
1 1 1    3    1   19 o 174.7895 1.962080  350.6000 5.542793   350.6000 10.70000   350.6000 11.50000   174.8033 2.672846   174.7757   2.873138 0.2758789E-01 3.924160 
1 1 1    3    1   20 o 201.8904 2.026689  468.6306 6.624151   471.3000 13.10000   465.9000 13.40000   202.4836 2.825018   201.2973   2.906742 1.186249 4.053379 
1 1 1    3    1   21 o 67.42309 1.765047  52.22208 1.922078   46.60000 3.700000   58.30000 4.000000   63.64618 2.538453   71.20000   2.453125 -7.553818 3.530094 
1 1 1    3    1   22 f 84.54395 1.684297  82.28696 2.282609   83.70000 5.000000   81.10000 4.200000   85.16634 2.563550   83.92155   2.185322 1.244797 3.368593 
1 1 1    3    1   23 o 29.42324 3.541379  10.34154 1.578462   4.900000 2.700000   18.00000 3.800000   19.83561 5.663385   39.01087   4.253414 -19.17526 7.082758 
1 1 1    3    1   24 o 32.23548 3.484289  12.93529 1.647059   13.80000 2.800000   11.70000 4.000000   34.19692 3.575286   30.27405   5.981506 3.922871 6.968578 
1 1 1    3    1   25 o 39.64883 3.077768  19.30253 1.959494   20.50000 4.300000   18.30000 3.600000   40.59129 4.625677   38.70638   4.061249 1.884907 6.155537 
1 1 1    3    1   26 o 35.93703 2.715786  15.92951 1.514754   10.10000 2.800000   22.80000 3.300000   28.42227 4.301688   43.45180   3.316240 -15.02952 5.431571 
1 1 1    3    3    0 o 551.0775 5.573046  3486.976 47.85688   3441.200 113.4000   3520.400 82.80000   547.8607 9.038214   554.2942   6.522735 -6.433472 11.14609 
1 1 1    3    3    1 o 346.2017 3.037334  1372.096 17.00206   1351.000 32.80000   1394.800 35.30000   343.4431 4.170218   348.9603   4.417112 -5.517212 6.074669 
1 1 1    3    3    2 o 486.4147 4.049894  2710.972 31.89498   2693.000 63.00000   2729.400 64.60000   484.7853 5.674542   488.0442   5.779804 -3.258850 8.099788 
1 1 1    3    3    3 o 623.3797 5.042281  4454.997 50.89823   4454.400 101.2000   4455.600 102.4000   623.3420 7.089145   623.4174   7.172338 -0.7543945E-01 10.08456 
1 1 1    3    3    4 o 799.8899 7.847529  7388.802 98.61557   7010.100 225.6000   7682.900 175.2000   781.3077 12.60830   818.4720   9.346951 -37.16425 15.69506 
1 1 1    3    3    5 o 352.9363 3.132118  1426.932 17.89316   1416.000 35.10000   1438.300 36.50000   351.5606 4.359600   354.3120   4.498283 -2.751343 6.264236 
1 1 1    3    3    6 o 275.6080 2.563116  870.2475 11.39606   870.3000 24.00000   870.2000 21.70000   275.6086 3.802403   275.6075   3.438021 0.1190186E-02 5.126232 
1 1 1    3    3    7 o 207.5454 2.175832  493.8822 7.287671   502.8000 14.00000   484.2000 15.20000   209.5058 2.917908   205.5850   3.228433 3.920776 4.351663 
1 1 1    3    3    8 o 150.2842 1.728033  258.5690 4.185119   260.9000 8.900000   256.5000 7.900000   150.9207 2.575022   149.6477   2.305137 1.273026 3.456066 
1 1 1    3    3    9 o 311.9296 2.806691  1115.051 14.17390   1103.500 28.60000   1126.400 28.10000   310.3249 4.024289   313.5344   3.913460 -3.209473 5.613383 
1 1 1    3    3   10 f 230.3553 2.118573  607.8146 7.892088   605.2000 15.30000   610.6000 16.30000   229.8469 2.906648   230.8637   3.082986 -1.016785 4.237146 
1 1 1    3    3   11 o 307.3761 2.753377  1081.912 13.67372   1065.800 26.20000   1099.500 28.60000   304.9915 3.751054   309.7608   4.031617 -4.769318 5.506754 
1 1 1    3    3   12 o 247.3177 2.774409  698.7365 10.63736   688.8000 18.10000   712.9000 25.80000   245.2147 3.223085   249.4207   4.516759 -4.205963 5.548819 
1 1 1    3    3   13 o 470.8434 4.761851  2514.630 31.12088   2453.700 46.90000   2634.800 92.50000   462.7176 4.425848   478.9692   8.432839 -16.25156 9.523703 
1 1 1    3    3   14 o 24.94023 3.543303  7.961112 1.283333   10.10000 2.100000   4.600000 3.300000   29.69150 3.088352   20.18895   6.378251 9.502554 7.086607 
1 1 1    3    3   15 o 333.1519 3.293642  1271.205 16.30448   1265.200 26.30000   1281.000 42.90000   332.2461 3.456492   334.0576   5.607582 -1.811554 6.587285 
1 1 1    3    3   16 o 136.2547 1.928332  209.2527 3.730909   201.1000 5.700000   224.7000 10.80000   132.5009 1.878433   140.0086   3.368285 -7.507690 3.856664 
1 1 1    3    3   17 o 194.0829 2.406618  431.8061 6.909184   430.9000 11.10000   433.3000 18.30000   193.8934 2.499768   194.2723   4.113200 -0.3789063 4.813237 
1 1 1    3    3   18 f 150.9074 1.986776  261.4415 4.393617   262.0000 7.000000   260.5000 11.80000   151.1914 2.021672   150.6234   3.420812 0.5679779 3.973552 
1 1 1    3    3   19 f 48.30891 2.338155  26.77808 1.808219   26.10000 3.300000   27.60000 4.000000   47.65197 3.023937   48.96586   3.567026 -1.313885 4.676310 
1 1 1    3    3   20 o 107.3232 1.845572  133.6516 2.941936   137.6000 4.800000   127.4000 7.600000   109.4951 1.914195   105.1514   3.156010 4.343750 3.691144 
1 1 1    3    3   21 o 14.11965 4.373755 -1.051852 1.913580  0.9000000 3.100000  -4.200000 5.000000   14.34162 5.889114   13.89768   6.468174 0.4439449 8.747510 
1 1 1    3    3   22 o 39.32502 2.963139  17.95067 1.818667   17.00000 3.100000   19.30000 4.400000   38.20794 3.542809   40.44209   4.750713 -2.234150 5.926278 
1 1 1    3    3   23 o 45.24282 2.997223  25.32891 2.050602   30.50000 3.700000   18.90000 4.600000   51.02247 3.166503   39.46317   5.089857 11.55931 5.994446 
1 1 1    3    3   24 o 20.30238 5.124509  5.250000 2.090000   5.800000 3.300000   4.300000 5.700000   20.77435 6.349281   19.83040   8.045433 0.9439449 10.24902 
1 1 1    3    3   25 o 21.18068 5.012163  6.219753 1.935802   4.600000 3.200000   8.700000 4.900000   18.46279 6.304295   23.89856   7.793779 -5.435772 10.02433 
1 1 1    3    3   26 o 27.32050 4.538185  10.33250 1.755000   9.000000 2.600000   13.10000 5.400000   26.59585 4.268734   28.04516   8.009892 -1.449308 9.076369 
1 1 1    3    5    0 o 274.9050 2.482231  865.7213 11.04796   860.0000 21.80000   871.6000 22.40000   273.9856 3.474308   275.8244   3.546133 -1.838806 4.964461 
1 1 1    3    5    1 o 53.38812 1.156706  32.59750 0.9974999   33.70000 2.100000   31.60000 1.900000   54.24659 1.690389   52.52965   1.579388 1.716938 2.313413 
1 1 1    3    5    2 o 129.2011 1.434206  190.7667 2.986667   184.0000 5.600000   198.5000 6.400000   126.7525 1.929173   131.6498   2.122754 -4.897263 2.868413 
1 1 1    3    5    3 o 243.9000 2.393417  681.6619 9.447619   674.5000 19.20000   688.6000 18.60000   242.6358 3.455302   245.1643   3.312802 -2.528473 4.786833 
1 1 1    3    5    4 o 452.2482 3.837110  2345.268 28.09564   2338.800 55.50000   2351.900 56.90000   451.6239 5.366064   452.8725   5.486256 -1.248627 7.674219 
1 1 1    3    5    5 o 395.1004 3.536667  1789.693 22.61878   1790.100 46.00000   1789.300 44.50000   395.1365 5.083354   395.0643   4.918492 0.7226563E-01 7.073334 
1 1 1    3    5    6 o 202.4093 2.036467  469.2985 6.674906   469.7000 13.40000   468.9000 13.30000   202.4953 2.889546   202.3233   2.870420 0.1720276 4.072934 
1 1 1    3    5    7 o 126.5452 1.971164  184.1340 3.876729   187.8000 6.700000   179.1000 9.200000   128.0522 2.284691   125.0382   3.212810 3.014061 3.942329 
1 1 1    3    5    8 o 100.8297 1.427920  116.5871 2.318280   119.0000 4.400000   113.9000 4.900000   101.9350 1.884816   99.72443   2.145528 2.210609 2.855840 
1 1 1    3    5    9 o 267.2983 2.565271  818.4707 11.08896   822.7000 22.90000   814.5000 21.50000   267.9633 3.731641   266.6333   3.520981 1.329987 5.130541 
1 1 1    3    5   10 f 168.2739 1.706671  324.0296 4.641397   331.8000 9.700000   316.9000 8.900000   170.2055 2.488501   166.3422   2.336293 3.863327 3.413342 
1 1 1    3    5   11 o 352.4138 3.307646  1423.422 18.87497   1406.500 37.80000   1440.300 37.70000   350.3194 4.711589   354.5081   4.643600 -4.188782 6.615293 
1 1 1    3    5   12 o 104.8650 1.531397  125.9529 2.599039   125.8000 5.300000   126.1000 5.100000   104.8021 2.208237   104.9280   2.122358 -0.1259079 3.062795 
1 1 1    3    5   13 o 433.3908 3.761512  2152.395 26.34991   2222.000 55.10000   2088.600 50.50000   440.0757 5.467187   426.7060   5.167761 13.36969 7.523024 
1 1 1    3    5   14 o 86.50954 1.729518  85.34742 2.412371   77.60000 4.500000   94.30000 5.200000   82.29861 2.387590   90.72047   2.502867 -8.421860 3.459035 
1 1 1    3    5   15 o 436.5824 3.863552  2188.443 27.17818   2201.900 57.80000   2176.500 51.30000   437.7738 5.765245   435.3911   5.144907 2.382721 7.727103 
1 1 1    3    5   16 o 232.2084 2.366578  617.9615 8.886236   598.7000 17.10000   638.8000 18.50000   228.4552 3.268396   235.9615   3.423500 -7.506287 4.733156 
1 1 1    3    5   17 o 115.0327 1.558362  151.8284 2.899138   156.3000 5.700000   147.2000 5.900000   116.7624 2.131629   113.3030   2.273790 3.459389 3.116724 
1 1 1    3    5   18 o 59.02191 2.005575  41.93333 1.765278   50.20000 3.100000   31.00000 4.100000   66.15016 2.046305   51.89367   3.449921 14.25650 4.011150 
1 1 1    3    5   19 o 51.65202 1.941419  30.98906 1.585938   33.30000 2.900000   28.20000 3.500000   53.83070 2.352381   49.47335   3.089132 4.357353 3.882838 
1 1 1    3    5   20 o 82.56197 2.034895  79.23333 2.476191   81.10000 4.000000   76.20000 6.500000   83.99438 2.079455   81.12954   3.498437 2.864845 4.069790 
1 1 1    3    5   21 o 12.34039 3.777712 -0.2864406 1.322034  0.9000000 2.000000  -2.600000 3.900000   12.00813 4.802774   12.67265   5.832477 -0.6645222 7.555424 
1 1 1    3    5   22 o 55.12823 2.338011  34.37561 1.843902   31.20000 2.800000   40.50000 5.400000   51.86882 2.357172   58.38764   4.038430 -6.518818 4.676022 
1 1 1    3    5   23 o 39.90527 2.671100  19.13333 1.724638   18.00000 3.400000   20.30000 3.500000   38.67539 3.838697   41.13515   3.715306 -2.459763 5.342200 
1 1 1    3    5   24 o 18.75451 4.285153  4.678125 1.585938   6.400000 2.900000   2.600000 3.500000   21.63416 5.753454   15.87486   6.352000 5.759302 8.570306 
1 1 1    3    5   25 f 25.56287 4.714380  9.648750 1.898750   9.300000 3.100000   10.20000 4.900000   26.07897 5.369409   25.04677   7.750546 1.032207 9.428760 
1 1 1    3    7    0 o 197.6039 2.672518  447.3462 8.542690   443.9000 16.60000   451.0000 17.60000   196.8237 3.682735   198.3842   3.873872 -1.560516 5.345037 
1 1 1    3    7    1 o 155.7381 2.191586  276.6005 5.170507   271.9000 8.500000   283.9000 13.20000   154.0720 2.408989   157.4041   3.661826 -3.332031 4.383172 
1 1 1    3    7    2 o 39.17359 1.579896  17.40500 0.9775000   16.30000 1.700000   18.90000 2.300000   37.72588 1.967656   40.62130   2.472371 -2.895416 3.159793 
1 1 1    3    7    3 f 178.9683 1.829081  366.8509 5.298113   366.8000 10.80000   366.9000 10.40000   178.9553 2.635232   178.9813   2.537262 -0.2603149E-01 3.658162 
1 1 1    3    7    4 o 400.7442 3.429174  1840.725 22.24090   1837.100 43.60000   1844.500 45.40000   400.3493 4.755401   401.1392   4.941975 -0.7898560 6.858349 
1 1 1    3    7    5 o 349.2184 2.980435  1397.239 16.83798   1393.200 32.80000   1401.500 34.60000   348.7055 4.107284   349.7313   4.319975 -1.025818 5.960869 
1 1 1    3    7    6 o 308.2628 2.756357  1088.729 13.73182   1089.500 26.50000   1087.900 28.50000   308.3822 3.752289   308.1435   4.038607 0.2387695 5.512714 
1 1 1    3    7    7 o 165.6302 1.716249  314.2522 4.595109   312.6000 9.500000   315.8000 8.900000   165.2072 2.510928   166.0532   2.340359 -0.8459473 3.432498 
1 1 1    3    7    8 o 241.4934 2.302561  668.1750 8.993055   665.4000 18.50000   670.8000 17.50000   241.0021 3.351897   241.9846   3.157839 -0.9825439 4.605123 
1 1 1    3    7    9 o 233.4388 2.363566  623.7236 8.887956   634.9000 19.00000   613.9000 16.70000   235.3940 3.524503   231.4836   3.150185 3.910461 4.727132 
1 1 1    3    7   10 o 107.2796 1.482079  131.7107 2.572816   138.4000 5.300000   125.4000 5.000000   109.9244 2.105336   104.6348   2.086573 5.289665 2.964157 
1 1 1    3    7   11 o 258.8004 2.590691  767.9161 10.83871   771.4000 21.00000   764.2000 22.40000   259.4172 3.534763   258.1837   3.788426 1.233459 5.181382 
1 1 1    3    7   12 o 155.5519 1.856619  277.2540 4.671658   277.4000 9.100000   277.1000 9.600000   155.5968 2.553762   155.5071   2.695633 0.8976746E-01 3.713238 
1 1 1    3    7   13 o 118.8711 1.648591  161.5157 3.165354   172.7000 6.700000   151.5000 6.000000   122.7598 2.383188   114.9824   2.278556 7.777397 3.297181 
1 1 1    3    7   14 o 27.82091 4.312457  8.859740 1.851948   5.800000 3.100000   13.40000 4.600000   22.07382 5.982764   33.56800   6.212541 -11.49419 8.624913 
1 1 1    3    7   15 o 45.03499 2.326540  22.98235 1.676471   27.90000 3.800000   19.10000 3.000000   49.28557 3.366693   40.78441   3.211935 8.501160 4.653079 
1 1 1    3    7   16 o 88.64452 1.639237  89.22553 2.297872   82.80000 4.000000   97.90000 5.400000   84.95656 2.055904   92.33249   2.553753 -7.375931 3.278475 
1 1 1    3    7   17 f 26.65078 4.598397  8.332099 1.972839   5.100000 3.400000   12.80000 4.700000   20.84336 6.457194   32.45821   6.548714 -11.61485 9.196794 
1 1 1    3    7   18 o 26.59444 3.991164  8.790667 1.874667   15.50000 3.700000   1.900000 3.800000   36.47740 4.429121   16.71148   6.640818 19.76592 7.982329 
1 1 1    3    7   19 f 52.75647 2.025247  32.28261 1.724638   30.00000 3.500000   34.50000 3.400000   50.88603 3.003372   54.62691   2.717766 -3.740879 4.050493 
1 1 1    3    7   20 o 40.00882 2.437263  18.89839 1.524194   19.90000 2.700000   17.60000 3.500000   41.37461 2.849506   38.64303   3.954910 2.731583 4.874525 
1 1 1    3    7   21 o 12.42554 3.921944 -0.7875000 1.575000 -0.9000000 3.600000 -0.7000000 2.800000   13.14774 5.869306   11.70334   5.203635 1.444401 7.843887 
1 1 1    3    7   22 o 12.05729 3.832753 -0.6952381 1.507936 -0.1000000 2.500000  -1.600000 3.800000   11.45759 5.011921   12.65700   5.800055 -1.199412 7.665506 
1 1 1    3    7   23 o 25.27473 4.726475  8.808750 1.788750   8.100000 2.700000   10.20000 5.300000   24.93705 4.902553   25.61240   8.082279 -0.6753502 9.452950 
1 1 1    3    9    0 o 112.3798 1.536545  145.3928 2.763964   154.2000 5.200000   135.4000 5.900000   116.0339 1.956853   108.7257   2.369516 7.308174 3.073090 
1 1 1    3    9    1 o 256.6228 2.472255  753.3555 10.24818   784.1000 21.60000   725.6000 19.50000   261.5915 3.605537   251.6541   3.383532 9.937363 4.944510 
1 1 1    3    9    2 o 208.2649 2.083114  496.8466 7.022776   499.9000 14.30000   493.9000 13.80000   208.8921 2.989191   207.6376   2.902103 1.254532 4.166229 
1 1 1    3    9    3 o 119.5820 1.640737  163.8567 3.173228   161.4000 6.500000   166.2000 6.200000   118.7048 2.391028   120.4593   2.247456 -1.754410 3.281474 
1 1 1    3    9    4 o 449.3775 3.827874  2316.070 27.83241   2305.200 54.30000   2327.500 57.10000   448.3136 5.288806   450.4415   5.535252 -2.127930 7.655748 
1 1 1    3    9    5 o 269.6258 2.607297  832.8127 11.34593   824.6000 21.60000   841.9000 23.90000   268.2378 3.516199   271.0138   3.850758 -2.776001 5.214594 
1 1 1    3    9    6 o 98.19059 1.605567  110.3824 2.541177   109.3000 4.800000   111.6000 5.400000   97.68163 2.145695   98.69955   2.389012 -1.017929 3.211135 
1 1 1    3    9    7 o 232.0146 2.335405  616.8858 8.771510   603.9000 17.20000   630.4000 17.90000   229.5260 3.272173   234.5031   3.333068 -4.977127 4.670809 
1 1 1    3    9    8 o 179.7252 1.992882  370.0888 5.798276   373.7000 11.80000   366.6000 11.40000   180.5854 2.853245   178.8650   2.783039 1.720444 3.985764 
1 1 1    3    9    9 o 129.8156 1.765124  193.3851 3.689189   197.5000 7.000000   188.8000 7.800000   131.2846 2.328220   128.3467   2.653686 2.937820 3.530249 
1 1 1    3    9   10 o 42.78675 2.348353  21.00462 1.621538   20.90000 3.400000   21.10000 3.100000   42.68121 3.478419   42.89230   3.155892 -0.2110825 4.696706 
1 1 1    3    9   11 o 213.9578 2.360328  525.5434 8.174923   544.1000 16.40000   507.1000 16.30000   217.7318 3.288984   210.1837   3.386321 7.548035 4.720655 
1 1 1    3    9   12 o 72.04330 1.743039  59.66420 2.017284   61.40000 3.800000   57.70000 4.300000   73.17233 2.267652   70.91428   2.647735 2.258049 3.486079 
1 1 1    3    9   13 o 220.0805 2.230870  557.0730 7.949686   553.4000 16.00000   560.7000 15.80000   219.3503 3.185089   220.8107   3.124472 -1.460464 4.461739 
1 1 1    3    9   14 o 12.23325 3.977496 -2.754795 1.821918  -3.900000 3.800000  -1.700000 3.500000   11.78311 5.534081   12.68339   5.714528 -0.9002790 7.954991 
1 1 1    3    9   15 o 48.60212 2.430996  27.67733 1.874667   33.40000 3.700000   21.80000 3.800000   53.81876 3.001980   43.38547   3.824538 10.43330 4.861993 
1 1 1    3    9   16 o 76.12308 1.925776  66.32842 2.343158   61.20000 4.200000   72.80000 5.300000   72.86491 2.516927   79.38124   2.915397 -6.516335 3.851553 
1 1 1    3    9   17 o 52.03006 1.894112  30.88750 1.575000   26.60000 2.800000   36.40000 3.600000   47.98267 2.548082   56.07746   2.803199 -8.094788 3.788224 
1 1 1    3    9   18 o 14.94089 4.052105  1.220000 1.485000  -1.300000 2.700000   4.300000 3.300000   10.95206 4.968729   18.92972   6.402340 -7.977661 8.104211 
1 1 1    3    9   19 o 26.89985 4.417663  9.500000 1.900000   7.800000 3.800000   11.20000 3.800000   24.25462 6.644807   29.54508   5.823189 -5.290459 8.835326 
1 1 1    3    9   20 o 59.09864 2.306118  41.70568 2.198864   39.20000 4.500000   44.10000 4.300000   57.23415 3.433183   60.96313   3.079931 -3.728973 4.612236 
1 1 1    3    9   21 o 26.04470 4.173089  9.540000 1.872000   14.10000 3.600000   4.600000 3.900000   33.43607 4.701398   18.65334   6.896051 14.78273 8.346177 
1 1 1    3   11    0 o 77.06214 2.144182  68.06001 2.520000   67.90000 4.200000   68.30000 6.300000   76.97047 2.382675   77.15382   3.565520 -0.1833496 4.288365 
1 1 1    3   11    1 o 69.42188 2.379858  55.01132 2.573585   53.60000 4.400000   57.00000 6.200000   68.37380 2.809976   70.46994   3.841735 -2.096138 4.759716 
1 1 1    3   11    2 o 63.95863 2.609694  46.96667 2.696296   47.40000 5.200000   46.50000 5.600000   64.27129 3.532857   63.64597   3.841995 0.6253128 5.219387 
1 1 1    3   11    3 o 84.65381 1.958332  81.84766 2.635514   85.10000 6.000000   79.30000 4.700000   86.13528 3.041654   83.17233   2.467509 2.962952 3.916664 
1 1 1    3   11    4 o 123.9087 1.881007  175.8967 3.770861   168.5000 7.300000   183.8000 7.800000   121.2189 2.629615   126.5985   2.690331 -5.379578 3.762015 
1 1 1    3   11    5 o 33.49142 3.600410  13.24667 1.866667   11.70000 4.000000   14.60000 3.500000   31.35368 5.783803   35.62915   4.289457 -4.275463 7.200820 
1 1 1    3   11    6 o 151.0075 1.983493  261.7000 4.850000   258.0000 9.700000   265.4000 9.700000   149.9376 2.824886   152.0774   2.785138 -2.139801 3.966986 
1 1 1    3   11    7 f 79.00739 1.642722  71.65000 2.100000   68.30000 4.200000   75.00000 4.200000   77.15591 2.376949   80.85885   2.268096 -3.702934 3.285444 
1 1 1    3   11    8 o 93.18273 1.987393  99.57750 2.992500   94.40000 5.700000   105.3000 6.300000   90.64521 2.745805   95.72025   2.873932 -5.075043 3.974787 
1 1 1    3   11    9 o 13.74658 4.309701 -1.850617 1.972839  0.5000000 3.400000  -5.100000 4.700000   14.55477 6.088862   12.93839   6.100808 1.616383 8.619402 
1 1 1    3   11   10 f 34.73859 2.866108  14.37097 1.535484   16.90000 2.800000   11.30000 3.400000   38.29119 3.193000   31.18598   4.760573 7.105207 5.732216 
1 1 1    3   11   11 o 80.94458 2.039452  75.28691 2.663551   70.10000 5.000000   81.20000 5.700000   77.98752 2.799527   83.90164   2.966498 -5.914124 4.078904 
1 1 1    3   11   12 f 69.81412 2.052669  55.90000 2.230435   54.00000 3.800000   58.60000 5.400000   68.47457 2.423226   71.15366   3.313876 -2.679092 4.105338 
1 1 1    3   11   13 o 87.69420 1.829962  87.29615 2.522115   78.20000 4.300000   100.2000 6.100000   82.35330 2.279959   93.03510   2.863009 -10.68179 3.659923 
1 1 1    3   11   14 o 40.98083 2.862965  19.77368 1.898684   20.80000 3.900000   18.80000 3.700000   42.01512 4.053206   39.94654   4.044476 2.068577 5.725929 
1 1 1    3   11   15 o 31.06967 3.953878  12.28158 1.898684   7.900000 3.700000   16.90000 3.900000   24.62374 6.475107   37.51559   4.539338 -12.89186 7.907755 
1 1 1    3   11   16 o 26.30253 3.877802  8.828788 1.643939   5.400000 3.100000   12.70000 3.500000   20.36113 6.138708   32.24393   4.739797 -11.88280 7.755605 
1 1 1    3   11   17 o 20.52737 4.884015  5.645454 1.909091   4.600000 3.500000   6.900000 4.200000   18.84421 6.585470   22.21053   7.214291 -3.366322 9.768030 
1 1 1    3   11   18 o 17.94368 4.997152  3.551724 2.151724   1.400000 3.900000   6.200000 4.800000   15.06081 6.420779   20.82655   7.658963 -5.765734 9.994304 
1 1 1    3   11   19 o 32.15086 4.049776  14.00602 2.038554   11.10000 3.600000   17.80000 4.700000   28.17484 5.773356   36.12689   5.680767 -7.952057 8.099552 
1 1 1    3   13    0 f 23.48148 5.069921  5.948421 2.374737   10.90000 4.800000   1.100000 4.700000   29.66690 7.149172   17.29607   7.190672 12.37083 10.13984 
1 1 1    3   13    1 o 26.39264 3.755799  8.661904 1.574603   12.50000 3.100000   4.700000 3.200000   32.80285 4.126575   19.98243   6.276583 12.82042 7.511599 
1 1 1    3   13    2 o 20.53164 4.516231  3.379518 2.072289   9.700000 4.300000  -2.500000 4.000000   28.00734 6.777313   13.05594   5.971046 14.95140 9.032461 
1 1 1    3   13    3 o 20.89581 4.631701  5.162857 1.748571   5.600000 3.400000   4.700000 3.600000   21.55304 6.413337   20.23857   6.684289 1.314461 9.263401 
1 1 1    3   13    4 o 15.08831 4.323507 0.9200001 1.680000   2.400000 2.800000  -1.300000 4.200000   15.85225 5.846602   14.32437   6.370879 1.527883 8.647014 
1 1 1    3   13    5 o 16.53539 4.435718  1.798571 1.744286   4.600000 3.700000 -0.7000000 3.300000   20.06375 6.779298   13.00702   5.722192 7.056726 8.871435 
1 1 1    3   13    6 o 25.75529 4.162645  8.125000 1.663235   7.400000 2.900000   9.100000 3.900000   24.53558 5.314806   26.97501   6.408065 -2.439434 8.325291 
1 1 1    3   13    7 o 28.61280 4.385607  10.11728 2.024691   7.500000 4.000000   12.80000 4.100000   24.44629 6.863278   32.77930   5.461649 -8.333015 8.771214 
1 1 1    3   13    8 o 28.44694 4.867693  10.38202 2.222472   11.30000 4.300000   9.400000 4.600000   29.88921 6.469592   27.00467   7.274759 2.884535 9.735386 
1 1 1    3   13    9 o 12.83875 4.040660 -1.144118 1.676471  -2.600000 3.000000  0.7000000 3.800000   10.63086 4.968596   15.04663   6.373444 -4.415764 8.081320 
1 1 1    3   13   10 o 29.53428 4.609486  11.35000 2.150000   12.80000 4.300000   9.900000 4.300000   31.63613 6.156601   27.43244   6.861902 4.203691 9.218971 
1 1 1    3   13   11 o 18.40399 4.979550  3.361905 2.070238   1.600000 3.700000   5.600000 4.700000   15.60820 6.424389   21.19979   7.609921 -5.591584 9.959100 
1 1 1    3   13   12 o 22.12879 4.671639  6.700000 1.850000   4.900000 3.700000   8.500000 3.700000   19.34650 6.770449   24.91107   6.438777 -5.564568 9.343278 
1 1 1    3   13   13 o 31.55819 3.480144  12.30725 1.663768   7.600000 2.800000   19.20000 4.100000   23.96145 5.247802   39.15492   4.572327 -15.19347 6.960287 
1 1 1    3   13   14 o 23.83085 4.527138  7.877778 1.777778   6.100000 3.200000   10.10000 4.000000   20.93764 6.219946   26.72406   6.579680 -5.786427 9.054276 
1 1 1    3   13   15 o 12.48368 3.916956 -0.2307691 1.621538   1.200000 3.100000  -1.800000 3.400000   13.53946 5.747001   11.42789   5.323735 2.111575 7.833911 
1 1 1    3   15    0 o 15.45643 4.584031  1.145000 1.998750   3.400000 4.100000  -1.000000 3.900000   17.66227 6.936057   13.25059   5.995372 4.411674 9.168062 
1 1 1    3   15    1 o 16.54525 4.531240  2.802817 1.771831   4.000000 3.400000   1.500000 3.700000   17.93371 6.468493   15.15679   6.347215 2.776923 9.062480 
1 1 1    3   15    2 o 13.97783 4.113533  1.100000 1.555556   1.900000 2.800000  0.1000000 3.500000   14.44099 5.712476   13.51468   5.920492 0.9263086 8.227066 
1 1 1    3   15    3 o 16.19064 4.408859 0.6571430 1.898701  -4.200000 3.400000   6.800000 4.300000   10.27035 4.937900   22.11094   7.305429 -11.84059 8.817718 
1 1 1    3   15    4 o 12.68225 4.181339 -2.461905 2.095238  -2.700000 4.000000  -2.200000 4.400000   12.20056 5.713383   13.16395   6.106688 -0.9633961 8.362679 
1 1 1    3   15    5 o 21.79366 5.117720  6.552273 2.159091   3.400000 3.800000   10.70000 5.000000   17.08808 6.687150   26.49925   7.748950 -9.411173 10.23544 
1 1 1    3   15    6 o 12.34257 4.175008 -3.110465 1.982558  -4.300000 3.100000  -1.000000 5.500000   9.485386 4.598187   15.19975   6.969895 -5.714369 8.350016 
1 1 1    3   15    7 o 16.32055 4.707839  2.270370 2.022222  0.2000000 3.900000   4.500000 4.200000   13.98735 6.183887   18.65375   7.100320 -4.666392 9.415678 
1 1 1    3   15    8 o 12.79409 4.130622 -0.9171053 1.867105  -1.200000 4.300000 -0.7000000 3.300000   13.39452 6.149727   12.19367   5.516249 1.200849 8.261244 
1 1 1    3   15    9 o 20.62600 5.227921  6.638202 2.191011   6.200000 3.900000   7.200000 5.000000   20.17045 6.957083   21.08154   7.805358 -0.9110928 10.45584 
1 1 1    4    0    0 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    4    0    1 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    4    0    2 o 488.0921 7.948967  2732.800 88.80000   2732.800 88.80000   2732.800 88.80000   488.0921 7.948967   488.0921   7.948967 0.000000 0.000000 
1 1 1    4    0    3 o 235.2829 3.100528  634.3000 16.70000   634.3000 16.70000   634.3000 16.70000   235.2829 3.100528   235.2829   3.100528 0.000000 0.000000 
1 1 1    4    0    4 o 224.4489 2.997211  577.2000 15.40000   577.2000 15.40000   577.2000 15.40000   224.4489 2.997211   224.4489   2.997211 0.000000 0.000000 
1 1 1    4    0    5 f 513.1617 6.051892  3018.000 71.10000   3018.000 71.10000   3018.000 71.10000   513.1617 6.051892   513.1617   6.051892 0.000000 0.000000 
1 1 1    4    0    6 o 102.3756 1.578985  120.1000 3.700000   120.1000 3.700000   120.1000 3.700000   102.3756 1.578985   102.3756   1.578985 0.000000 0.000000 
1 1 1    4    0    7 o 320.2433 3.982849  1175.200 29.20000   1175.200 29.20000   1175.200 29.20000   320.2433 3.982849   320.2433   3.982849 0.000000 0.000000 
1 1 1    4    0    8 o 398.1615 4.848951  1817.100 44.20000   1817.100 44.20000   1817.100 44.20000   398.1615 4.848951   398.1615   4.848951 0.000000 0.000000 
1 1 1    4    0    9 o 239.8428 3.150852  659.2000 17.30000   659.2000 17.30000   659.2000 17.30000   239.8428 3.150852   239.8428   3.150852 0.000000 0.000000 
1 1 1    4    0   10 o 701.1410 7.942735  5638.900 127.5000   5638.900 127.5000   5638.900 127.5000   701.1410 7.942735   701.1410   7.942735 0.000000 0.000000 
1 1 1    4    0   11 o 93.36102 1.591247  99.90000 3.400000   99.90000 3.400000   99.90000 3.400000   93.36102 1.591247   93.36102   1.591247 0.000000 0.000000 
1 1 1    4    0   12 o 39.70786 2.666822  18.30000 2.400000   18.30000 2.400000   18.30000 2.400000   39.70786 2.666822   39.70786   2.666822 0.000000 0.000000 
1 1 1    4    0   13 f 251.1168 3.322528  722.6000 19.10000   722.6000 19.10000   722.6000 19.10000   251.1168 3.322528   251.1168   3.322528 0.000000 0.000000 
1 1 1    4    0   14 o 363.5884 4.372931  1515.100 36.40000   1515.100 36.40000   1515.100 36.40000   363.5884 4.372931   363.5884   4.372931 0.000000 0.000000 
1 1 1    4    0   15 o 32.94987 3.697691  12.90000 2.700000   12.90000 2.700000   12.90000 2.700000   32.94987 3.697691   32.94987   3.697691 0.000000 0.000000 
1 1 1    4    0   16 o 11.72732 6.068040  2.300000 2.100000   2.300000 2.100000   2.300000 2.100000   11.72732 6.068040   11.72732   6.068040 0.000000 0.000000 
1 1 1    4    0   17 o 324.6804 4.076435  1209.000 30.30000   1209.000 30.30000   1209.000 30.30000   324.6804 4.076435   324.6804   4.076435 0.000000 0.000000 
1 1 1    4    0   18 o 300.2239 3.841125  1034.100 26.40000   1034.100 26.40000   1034.100 26.40000   300.2239 3.841125   300.2239   3.841125 0.000000 0.000000 
1 1 1    4    0   19 o 104.7273 2.379365  125.9000 5.700000   125.9000 5.700000   125.9000 5.700000   104.7273 2.379365   104.7273   2.379365 0.000000 0.000000 
1 1 1    4    0   20 o 180.2628 2.859974  373.2000 11.80000   373.2000 11.80000   373.2000 11.80000   180.2628 2.859974   180.2628   2.859974 0.000000 0.000000 
1 1 1    4    0   21 o 118.5171 2.323142  161.4000 6.300000   161.4000 6.300000   161.4000 6.300000   118.5171 2.323142   118.5171   2.323142 0.000000 0.000000 
1 1 1    4    0   22 o 109.8104 2.228888  138.7000 5.600000   138.7000 5.600000   138.7000 5.600000   109.8104 2.228888   109.8104   2.228888 0.000000 0.000000 
1 1 1    4    0   23 o 64.75213 2.435482  48.50000 3.600000   48.50000 3.600000   48.50000 3.600000   64.75213 2.435482   64.75213   2.435482 0.000000 0.000000 
1 1 1    4    0   24 o 19.17720 7.274457  6.000000 3.000000   6.000000 3.000000   6.000000 3.000000   19.17720 7.274457   19.17720   7.274457 0.000000 0.000000 
1 1 1    4    0   25 o 31.33657 5.530553  12.90000 3.600000   12.90000 3.600000   12.90000 3.600000   31.33657 5.530553   31.33657   5.530553 0.000000 0.000000 
1 1 1    4    0   26 o 53.24713 3.141239  33.70000 3.800000   33.70000 3.800000   33.70000 3.800000   53.24713 3.141239   53.24713   3.141239 0.000000 0.000000 
1 1 1    4    2    0 f 151.5245 1.519040  262.8114 3.716779   260.0000 7.100000   265.9000 7.800000   150.6754 2.057575   152.3735   2.235243 -1.698151 3.038080 
1 1 1    4    2    1 o 455.1924 3.873118  2374.507 28.54685   2351.600 56.50000   2397.900 57.70000   452.9760 5.446444   457.4089   5.508215 -4.432953 7.746237 
1 1 1    4    2    2 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    4    2    3 o 922.4113 14.69389  0.000000 0.000000          ?        ?   9778.600 310.4000          ?        ?   922.4113   14.69389       ?       ? 
1 1 1    4    2    4 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    4    2    5 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    4    2    6 o 258.2537 2.384991  763.5624 9.967419   783.6000 20.50000   744.6000 19.40000   261.5482 3.422488   254.9592   3.322545 6.589005 4.769982 
1 1 1    4    2    7 o 377.0551 3.373866  1629.573 20.59891   1661.000 41.50000   1598.600 40.90000   380.6653 4.760411   373.4447   4.782299 7.220612 6.747732 
1 1 1    4    2    8 o 237.6518 2.547134  638.5268 8.716536   616.7000 13.50000   678.3000 24.60000   232.0345 2.540510   243.2690   4.415583 -11.23445 5.094268 
1 1 1    4    2    9 o 238.4061 2.495292  654.4592 8.794102   664.7000 14.20000   637.8000 23.10000   240.8987 2.573911   235.9135   4.275619 4.985245 4.990584 
1 1 1    4    2   10 o 409.4765 4.798696  1921.800 45.00000   1921.800 45.00000          ?        ?   409.4765 4.798696          ?          ?       ?       ? 
1 1 1    4    2   11 o 166.3577 2.077232  317.2523 5.163302   318.1000 8.400000   315.9000 13.40000   166.6582 2.200859   166.0571   3.523604 0.6011658 4.154463 
1 1 1    4    2   12 o 449.1667 4.314572  2330.867 28.73550   2388.300 46.70000   2239.000 74.70000   456.5451 4.466558   441.7884   7.383224 14.75674 8.629144 
1 1 1    4    2   13 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    4    2   14 f 372.9600 3.777377  1592.111 20.11298   1584.400 31.20000   1606.100 56.60000   371.8434 3.663821   374.0765   6.606869 -2.233093 7.554753 
1 1 1    4    2   15 o 63.46326 1.901532  44.21539 1.794872   38.40000 2.800000   54.60000 5.000000   57.89983 2.111643   69.02670   3.162952 -11.12686 3.803065 
1 1 1    4    2   16 o 139.7032 1.906952  224.4479 3.923353   226.9000 6.300000   220.4000 10.40000   140.7415 1.954601   138.6648   3.274965 2.076675 3.813904 
1 1 1    4    2   17 o 147.2252 1.927570  247.3687 4.192179   244.0000 6.700000   253.0000 11.20000   145.9305 2.004788   148.5199   3.292859 -2.589371 3.855139 
1 1 1    4    2   18 o 31.14419 3.940916  10.99211 1.710526   10.00000 2.600000   12.90000 5.000000   29.50182 3.848259   32.78656   6.878531 -3.284748 7.881832 
1 1 1    4    2   19 f 57.54089 2.440711  37.96363 2.036364   37.60000 3.200000   38.60000 5.600000   57.23324 2.441414   57.84853   4.227031 -0.6152916 4.881423 
1 1 1    4    2   20 o 28.35191 3.953767  11.32464 1.594203   15.60000 2.500000   3.800000 4.400000   36.80973 2.965631   19.89410   7.330356 16.91563 7.907534 
1 1 1    4    2   21 o 49.08324 2.611688  27.45309 1.861728   26.20000 2.900000   29.70000 5.200000   47.68589 2.655509   50.48060   4.497991 -2.794708 5.223375 
1 1 1    4    2   22 f 40.49432 3.528193  21.02279 1.807595   24.00000 2.800000   15.60000 5.100000   45.55996 2.683579   35.42870   6.526178 10.13126 7.056387 
1 1 1    4    2   23 o 42.12279 3.424129  21.71395 1.888372   22.30000 2.800000   20.50000 5.800000   43.73470 2.795578   40.51087   6.251671 3.223831 6.848259 
1 1 1    4    2   24 o 17.47668 4.889007  3.146341 1.843902   2.600000 2.800000   4.200000 5.400000   15.44953 5.816997   19.50383   7.859522 -4.054303 9.778013 
1 1 1    4    2   25 o 25.42481 4.090251  8.817910 1.591045   9.400000 2.600000   7.900000 4.100000   27.59545 4.114107   23.25417   7.070696 4.341282 8.180502 
1 1 1    4    2   26 o 24.51271 4.188805  8.872857 1.658571   10.30000 2.700000   6.600000 4.300000   28.52718 4.132802   20.49824   7.287270 8.028940 8.377610 
1 1 1    4    4    0 o 266.2789 2.349634  812.4377 10.12197   795.5000 20.60000   828.8000 19.90000   263.5476 3.413090   269.0102   3.230160 -5.462524 4.699268 
1 1 1    4    4    1 f 673.5277 5.457573  5200.406 59.52491   5205.000 118.9000   5195.800 119.2000   673.8269 7.705010   673.2285   7.731316 0.5983887 10.91515 
1 1 1    4    4    2 o 288.4717 2.590641  953.2231 12.09669   951.8000 24.60000   954.6000 23.80000   288.2581 3.726432   288.6852   3.599914 -0.4270630 5.181282 
1 1 1    4    4    3 o 115.9598 1.297439  153.7165 2.393815   151.5000 4.300000   156.5000 5.400000   115.0198 1.632434   116.8998   2.017065 -1.879959 2.594878 
1 1 1    4    4    4 o 228.5569 2.107716  598.2641 7.794872   603.7000 16.00000   593.1000 15.20000   229.5672 3.043336   227.5465   2.916844 2.020706 4.215432 
1 1 1    4    4    5 o 237.0189 2.294260  643.7505 8.792898   638.3000 18.10000   648.9000 17.10000   236.0392 3.348376   237.9986   3.137339 -1.959427 4.588520 
1 1 1    4    4    6 o 279.9827 2.644383  897.4263 11.92484   884.8000 22.40000   911.8000 25.50000   277.8899 3.519776   282.0754   3.947432 -4.185577 5.288765 
1 1 1    4    4    7 o 342.3818 3.088685  1343.396 17.12409   1350.900 34.50000   1336.000 34.00000   343.3298 4.387805   341.4338   4.348227 1.896057 6.177370 
1 1 1    4    4    8 o 284.7400 3.172476  932.1041 14.18685   908.1000 32.80000   950.4000 25.00000   281.4663 5.088468   288.0137   3.790239 -6.547333 6.344953 
1 1 1    4    4    9 o 150.8702 2.315401  260.7000 8.000000   260.7000 8.000000          ?        ?   150.8702 2.315401          ?          ?       ?       ? 
1 1 1    4    4   10 o 376.6919 3.478105  1624.297 21.11403   1663.600 45.10000   1589.700 39.70000   380.9511 5.169481   372.4327   4.654601 8.518433 6.956209 
1 1 1    4    4   11 o 558.7605 4.685928  3580.978 42.39853   3568.800 84.30000   3593.300 85.30000   557.8087 6.599059   559.7123   6.654630 -1.903564 9.371856 
1 1 1    4    4   12 f 427.7478 3.627950  2097.047 25.10408   2115.000 51.70000   2080.100 48.80000   429.5150 5.255959   425.9807   5.002299 3.534302 7.255901 
1 1 1    4    4   13 o 258.9250 2.529960  768.6000 10.60000   734.2000 21.20000   803.0000 21.20000   253.1237 3.657150   264.7263   3.496862 -11.60258 5.059920 
1 1 1    4    4   14 o 378.9139 4.159725  1626.152 24.05198   1538.900 39.50000   1762.000 61.50000   366.2788 4.708961   391.5490   6.858493 -25.27020 8.319449 
1 1 1    4    4   15 o 339.5757 3.759903  1314.952 17.45520   1297.000 26.10000   1351.200 52.70000   336.3706 3.388146   342.7808   6.713266 -6.410187 7.519806 
1 1 1    4    4   16 o 49.04830 2.495897  27.65789 1.740790   27.80000 2.700000   27.40000 4.900000   49.25121 2.393793   48.84539   4.380384 0.4058266 4.991795 
1 1 1    4    4   17 o 26.91526 3.788246  8.731250 1.593750   10.70000 3.000000   6.500000 3.400000   30.50612 4.294118   23.32440   6.242098 7.181719 7.576492 
1 1 1    4    4   18 o 132.0540 1.922185  196.6550 3.640000   187.8000 5.600000   213.1000 10.40000   127.9767 1.910719   136.1313   3.335916 -8.154617 3.844370 
1 1 1    4    4   19 o 31.01509 2.814259  11.19464 1.398214   12.40000 2.700000   9.900000 2.900000   32.78492 3.596080   29.24525   4.329944 3.539661 5.628518 
1 1 1    4    4   20 o 45.22517 2.583111  23.99155 1.588732   24.60000 2.400000   22.80000 4.700000   46.24578 2.266099   44.20456   4.642698 2.041222 5.166222 
1 1 1    4    4   21 o 20.79616 4.008740  5.017241 1.406897   2.700000 2.400000   8.300000 3.400000   15.73326 5.455820   25.85906   5.874862 -10.12581 8.017480 
1 1 1    4    4   22 o 49.89985 2.816206  29.64186 1.953488   30.20000 3.000000   28.60000 5.600000   51.02337 2.567390   48.77634   5.013241 2.247028 5.632413 
1 1 1    4    4   23 o 45.29268 2.876583  25.62308 1.846154   28.70000 3.000000   20.70000 4.800000   49.57152 2.642584   41.01383   5.110350 8.557693 5.753167 
1 1 1    4    4   24 o 48.60041 2.942101  28.03488 1.730233   26.50000 2.400000   32.00000 6.200000   47.58561 2.202294   49.61521   5.456531 -2.029594 5.884202 
1 1 1    4    4   25 o 21.72702 5.026540  5.688235 1.764706   2.100000 2.500000   14.30000 6.000000   14.01091 5.440251   29.44313   8.453879 -15.43222 10.05308 
1 1 1    4    6    0 o 139.4401 1.538930  222.6813 3.474820   220.1000 6.900000   225.3000 7.000000   138.6261 2.173420   140.2541   2.179327 -1.627914 3.077860 
1 1 1    4    6    1 o 137.7414 1.491720  217.3624 3.324812   205.8000 6.600000   229.1000 6.700000   134.0484 2.149918   141.4344   2.068519 -7.385941 2.983440 
1 1 1    4    6    2 o 380.9885 3.416160  1663.698 21.06999   1657.200 41.50000   1670.400 42.80000   380.2381 4.765760   381.7389   4.895726 -1.500824 6.832321 
1 1 1    4    6    3 o 301.2039 2.711248  1038.726 13.13163   1051.000 28.30000   1028.100 24.50000   302.8499 4.080362   299.5580   3.571288 3.291931 5.422495 
1 1 1    4    6    4 o 336.6995 3.641053  1300.022 19.10969   1302.800 33.00000   1296.200 45.40000   337.1826 4.273548   336.2165   5.896259 0.9660950 7.282107 
1 1 1    4    6    5 o 190.4854 2.269578  416.6212 6.879497   407.1000 15.30000   424.4000 12.50000   188.4924 3.544356   192.4783   2.835749 -3.985962 4.539155 
1 1 1    4    6    6 o 439.8434 3.854607  2217.915 27.44672   2237.400 54.30000   2198.000 55.50000   441.8043 5.366728   437.8825   5.534458 3.921783 7.709215 
1 1 1    4    6    7 o 231.8789 2.217517  615.7072 8.315916   623.3000 17.20000   608.6000 16.10000   233.2598 3.219795   230.4979   3.049992 2.761932 4.435034 
1 1 1    4    6    8 o 184.0327 1.979683  387.8373 5.898305   394.6000 12.00000   381.3000 11.60000   185.6097 2.823061   182.4558   2.776132 3.153946 3.959366 
1 1 1    4    6    9 o 187.1190 1.956241  400.9342 5.916456   404.1000 12.30000   398.0000 11.40000   187.8287 2.859452   186.4094   2.670403 1.419357 3.912482 
1 1 1    4    6   10 o 237.6564 2.280018  646.6815 8.766382   662.1000 18.10000   632.2000 17.00000   240.3995 3.287643   234.9133   3.159956 5.486191 4.560035 
1 1 1    4    6   11 o 426.1166 3.722186  2082.075 25.64849   2092.500 53.00000   2072.300 49.70000   427.1303 5.418201   425.1029   5.105074 2.027435 7.444373 
1 1 1    4    6   12 f 386.4186 3.340556  1712.904 20.89414   1716.100 41.10000   1709.600 42.50000   386.7974 4.639786   386.0399   4.807248 0.7575073 6.681111 
1 1 1    4    6   13 o 89.04623 1.667086  90.91042 2.395833   89.40000 5.000000   92.30000 4.600000   88.33318 2.471643   89.75928   2.237784 -1.426102 3.334171 
1 1 1    4    6   14 o 178.5370 2.763693  365.4000 11.30000   365.4000 11.30000          ?        ?   178.5370 2.763693          ?          ?       ?       ? 
1 1 1    4    6   15 o 152.4218 1.833548  266.3011 4.523757   278.5000 9.200000   254.5000 8.900000   155.8563 2.577527   148.9873   2.608438 6.869049 3.667096 
1 1 1    4    6   16 o 64.89153 1.712931  48.30000 1.800000   48.20000 3.600000   48.40000 3.600000   64.82424 2.424961   64.95882   2.419937 -0.1345825 3.425862 
1 1 1    4    6   17 o 100.3912 1.815292  115.5220 2.936441   119.9000 6.300000   111.7000 5.500000   102.1534 2.692945   98.62905   2.434992 3.524338 3.630584 
1 1 1    4    6   18 o 128.4276 1.828025  189.6329 3.794079   188.0000 7.300000   191.4000 7.900000   127.8719 2.492800   128.9832   2.674444 -1.111328 3.656050 
1 1 1    4    6   19 o 38.97733 2.914566  17.70411 1.821918   14.30000 3.500000   21.40000 3.800000   35.02560 4.363372   42.92905   3.865201 -7.903454 5.829133 
1 1 1    4    6   20 o 121.8288 1.965429  170.4824 3.667974   165.1000 6.100000   178.6000 9.200000   119.6666 2.225854   123.9910   3.239942 -4.324425 3.930859 
1 1 1    4    6   21 o 43.85832 2.478199  22.60299 1.510448   22.50000 2.300000   22.80000 4.400000   44.06335 2.279239   43.65329   4.401243 0.4100609 4.956397 
1 1 1    4    6   22 o 15.86572 4.760530  1.448193 1.886747  0.4000000 2.900000   3.400000 5.400000   12.83154 5.505195   18.89990   7.768102 -6.068355 9.521060 
1 1 1    4    6   23 o 20.62962 4.520455  5.662500 1.787500   2.500000 3.300000   9.400000 3.900000   15.55443 6.186154   25.70481   6.593143 -10.15038 9.040910 
1 1 1    4    6   24 o 15.65999 4.653544  1.555555 1.913580  -1.200000 3.100000   6.000000 5.000000   11.33163 5.209613   19.98835   7.712446 -8.656722 9.307088 
1 1 1    4    8    0 o 71.01073 1.543752  57.75071 1.774648   57.70000 3.600000   57.80000 3.500000   70.97981 2.214661   71.04165   2.151269 -0.6183624E-01 3.087505 
1 1 1    4    8    1 o 133.4414 1.608501  203.9734 3.474820   207.2000 6.900000   200.7000 7.000000   134.5051 2.240011   132.3777   2.308994 2.127350 3.217002 
1 1 1    4    8    2 o 124.4640 1.679116  177.9694 3.302239   181.8000 5.900000   173.1000 7.500000   125.9932 2.044770   122.9348   2.663951 3.058464 3.358232 
1 1 1    4    8    3 o 205.6364 1.959571  484.3644 6.524904   488.1000 13.00000   480.6000 13.10000   206.4329 2.749819   204.8399   2.792521 1.593002 3.919143 
1 1 1    4    8    4 o 125.9877 1.458624  181.8269 2.974790   178.6000 6.000000   185.0000 5.900000   124.8785 2.097990   127.0970   2.027013 -2.218513 2.917249 
1 1 1    4    8    5 o 283.9004 2.643319  923.4835 12.14486   922.7000 23.80000   924.3000 24.80000   283.7810 3.662127   284.0197   3.812790 -0.2387085 5.286638 
1 1 1    4    8    6 o 309.0298 2.832579  1093.916 14.16226   1115.700 29.20000   1073.400 27.50000   312.0105 4.086517   306.0491   3.923568 5.961395 5.665157 
1 1 1    4    8    7 o 115.8173 1.573700  153.5102 2.942373   150.9000 5.600000   156.4000 6.200000   114.7821 2.130362   116.8525   2.316826 -2.070351 3.147400 
1 1 1    4    8    8 o 141.9509 1.730425  230.9503 3.974843   238.9000 7.900000   222.9000 8.000000   144.4122 2.388707   139.4896   2.504308 4.922546 3.460850 
1 1 1    4    8    9 o 389.4130 3.401516  1740.156 21.44814   1730.200 42.50000   1750.300 43.30000   388.2941 4.779339   390.5320   4.841401 -2.237854 6.803031 
1 1 1    4    8   10 o 127.3917 1.674508  186.1072 3.449275   193.4000 6.800000   178.6000 7.000000   129.9291 2.285294   124.8543   2.448130 5.074883 3.349016 
1 1 1    4    8   11 o 143.6181 1.888042  236.9371 4.363429   245.0000 8.300000   228.0000 9.200000   146.2099 2.478797   141.0263   2.848574 5.183655 3.776083 
1 1 1    4    8   12 f 85.11102 1.767790  83.20515 2.412371   85.20000 4.500000   80.90000 5.200000   86.22059 2.278984   84.00144   2.703064 2.219147 3.535579 
1 1 1    4    8   13 o 111.4032 1.828946  142.1500 3.293182   136.9000 6.300000   147.9000 6.900000   109.2558 2.517884   113.5505   2.653382 -4.294701 3.657892 
1 1 1    4    8   14 o 138.6914 1.680819  220.7318 3.774834   218.0000 7.500000   223.5000 7.600000   137.8276 2.376100   139.5552   2.377975 -1.727585 3.361638 
1 1 1    4    8   15 o 32.26050 2.539318  11.99434 1.320755   12.10000 2.800000   11.90000 2.500000   32.38322 3.775527   32.13777   3.396753 0.2454529 5.078635 
1 1 1    4    8   16 o 14.22916 3.767535      0.02 1.320000  -3.100000 2.200000   4.700000 3.300000   8.360331 4.006999   20.09799   6.381319 -11.73766 7.535069 
1 1 1    4    8   17 o 60.23402 2.063803  42.09250 1.995000   44.80000 3.800000   39.10000 4.200000   62.32578 2.662292   58.14226   3.154257 4.183514 4.127606 
1 1 1    4    8   18 o 63.45282 1.679573  46.46232 1.724638   43.90000 3.400000   49.10000 3.500000   61.67079 2.407349   65.23485   2.342762 -3.564060 3.359146 
1 1 1    4    8   19 o 13.05291 4.086360 -1.211765 1.605882   2.000000 4.200000  -3.200000 2.600000   16.87247 6.883009   9.233351   4.406535 7.639124 8.172721 
1 1 1    4    8   20 o 52.72261 2.676323  33.28242 2.274725   30.30000 4.600000   36.20000 4.500000   50.25479 3.996871   55.19044   3.560315 -4.935650 5.352646 
1 1 1    4    8   21 o 28.73477 3.979562  10.79589 1.808219   8.400000 3.300000   13.70000 4.000000   24.85980 5.887218   32.60974   5.356146 -7.749933 7.959123 
1 1 1    4    8   22 o 18.12618 4.774379  3.927273 1.870130   1.600000 3.200000   7.200000 4.500000   14.31226 5.940326   21.94011   7.476049 -7.627854 9.548759 
1 1 1    4   10    0 o 61.98572 1.996518  44.09625 1.998750   42.20000 4.100000   45.90000 3.900000   60.68127 2.950318   63.29016   2.690718 -2.608883 3.993037 
1 1 1    4   10    1 o 54.77403 2.820716  34.16800 2.464000   32.10000 4.400000   36.80000 5.600000   52.91120 3.631155   56.63687   4.317462 -3.725670 5.641433 
1 1 1    4   10    2 o 184.4650 1.988354  390.1177 5.901266   392.6000 11.10000   387.3000 12.60000   185.1016 2.618500   183.8285   2.992937 1.273102 3.976709 
1 1 1    4   10    3 o 67.35544 1.832887  51.86250 1.995000   48.30000 3.800000   55.80000 4.200000   64.92654 2.555648   69.78434   2.628034 -4.857803 3.665774 
1 1 1    4   10    4 o 163.3208 2.023264  305.7000 5.350000   312.7000 10.70000   298.7000 10.70000   165.1923 2.828353   161.4492   2.893926 3.743073 4.046528 
1 1 1    4   10    5 o 134.8416 1.717369  208.3267 3.749333   206.6000 7.400000   210.1000 7.600000   134.2762 2.406426   135.4070   2.450824 -1.130844 3.434738 
1 1 1    4   10    6 o 65.88121 1.767136  49.66000 1.848000   49.00000 3.300000   50.50000 4.200000   65.39158 2.203595   66.37084   2.763196 -0.9792633 3.534272 
1 1 1    4   10    7 o 84.30470 1.666447  81.37033 2.272527   76.10000 4.400000   87.00000 4.700000   81.48446 2.357858   87.12494   2.355565 -5.640480 3.332893 
1 1 1    4   10    8 f 20.09425 4.517858  3.687671 1.767123  0.4000000 3.000000   8.400000 4.300000   13.71319 5.726654   26.47530   6.989248 -12.76211 9.035716 
1 1 1    4   10    9 o 55.87992 2.194473  35.81013 1.949367   36.20000 4.400000   35.50000 3.500000   56.13693 3.422502   55.62291   2.747603 0.5140152 4.388946 
1 1 1    4   10   10 o 42.09570 2.644208  20.39305 1.798611   18.40000 3.500000   22.50000 3.700000   39.97544 3.823090   44.21597   3.653947 -4.240536 5.288416 
1 1 1    4   10   11 o 144.8445 1.909074  241.1955 4.474860   233.0000 9.000000   249.3000 8.900000   142.3847 2.760062   147.3043   2.638240 -4.919601 3.818148 
1 1 1    4   10   12 o 166.6508 1.974398  319.6892 5.322065   323.4000 10.40000   315.8000 10.90000   167.6658 2.708498   165.6357   2.873506 2.030090 3.948797 
1 1 1    4   10   13 o 26.66242 3.196938  8.400000 1.348148   8.400000 2.800000   8.400000 2.600000   26.44148 4.800754   26.88336   4.223081 -0.4418812 6.393876 
1 1 1    4   10   14 o 75.71735 1.997606  66.11735 2.445918   63.00000 4.700000   69.50000 5.100000   73.86955 2.778255   77.56514   2.871067 -3.695587 3.995213 
1 1 1    4   10   15 o 16.14531 4.138415  2.594737 1.298246   2.700000 2.000000   2.400000 3.700000   15.30442 4.978687   16.98619   6.612004 -1.681761 8.276831 
1 1 1    4   10   16 o 17.07190 4.380459  2.072000 1.834667   5.400000 3.200000  -2.400000 4.300000   20.72935 6.234058   13.41445   6.155501 7.314906 8.760918 
1 1 1    4   10   17 o 17.69019 4.249509  2.244776 1.567164  -1.300000 2.500000   8.200000 4.200000   10.44592 4.755277   24.93445   7.044192 -14.48853 8.499018 
1 1 1    4   10   18 o 22.34546 4.384384  6.766667 1.648485   7.300000 3.200000   6.200000 3.400000   23.32746 5.966194   21.36347   6.426183 1.963995 8.768768 
1 1 1    4   10   19 o 21.97921 4.508587  6.800000 1.700000   6.500000 3.400000   7.100000 3.400000   21.48280 6.418097   22.47563   6.333834 -0.9928322 9.017174 
1 1 1    4   10   20 o 21.67319 4.437517  6.754546 1.636364   7.900000 3.600000   5.800000 3.000000   23.17940 6.512303   20.16699   6.029604 3.012411 8.875033 
1 1 1    4   12    0 o 24.56092 4.722869  7.276923 1.938461   8.200000 3.600000   6.200000 4.200000   26.04880 6.135772   23.07303   7.181522 2.975767 9.445738 
1 1 1    4   12    1 o 30.92125 4.246486  11.47561 2.048780   12.50000 4.200000   10.50000 4.000000   32.32041 5.891366   29.52210   6.117383 2.798309 8.492971 
1 1 1    4   12    2 o 29.72812 4.628114  11.27667 2.178889   15.10000 3.700000   5.800000 5.300000   36.15412 4.468725   23.30212   8.106062 12.85200 9.256227 
1 1 1    4   12    3 o 19.98520 4.565593  4.117949 1.794872   6.200000 2.800000  0.4000000 5.000000   22.66493 5.459305   17.30548   7.319463 5.359455 9.131186 
1 1 1    4   12    4 o 14.65938 4.284450 -1.890909 1.916883  -6.800000 3.600000   3.700000 4.100000   9.838321 4.810212   19.48043   7.091397 -9.642112 8.568900 
1 1 1    4   12    5 o 14.95191 4.366029 -0.7897437 1.944872  -5.100000 4.100000   3.100000 3.700000   11.72634 5.578838   18.17748   6.717545 -6.451138 8.732059 
1 1 1    4   12    6 o 93.17030 1.857297  99.77768 2.791964   98.50000 5.300000   101.2000 5.900000   92.55994 2.500303   93.78068   2.747125 -1.220741 3.714594 
1 1 1    4   12    7 o 27.86269 4.711647  9.529761 2.098809   10.40000 4.300000   8.700000 4.100000   29.11554 6.601055   26.60983   6.724919 2.505716 9.423294 
1 1 1    4   12    8 o 13.37218 4.047930 -0.1476191 1.571429  0.9000000 3.300000  -1.100000 3.000000   14.71640 6.063416   12.02796   5.364506 2.688443 8.095860 
1 1 1    4   12    9 o 21.47815 4.184566  5.627869 1.524590   7.000000 3.100000   4.300000 3.000000   23.84566 5.744711   19.11063   6.086105 4.735031 8.369132 
1 1 1    4   12   10 o 86.13846 1.963039  85.46449 2.528972   84.20000 4.100000   87.50000 6.600000   85.50046 2.093896   86.77647   3.321098 -1.276009 3.926079 
1 1 1    4   12   11 o 17.62306 4.494478  3.300000 1.650000   3.900000 3.300000   2.700000 3.300000   18.49299 6.398384   16.75312   6.313638 1.739870 8.988956 
1 1 1    4   12   12 o 15.00968 4.401028  1.177143 1.727143   1.400000 3.900000   1.000000 3.100000   15.86865 6.569779   14.15071   5.857831 1.717941 8.802055 
1 1 1    4   12   13 o 41.41914 2.853184  19.65195 1.851948   14.70000 3.100000   27.00000 4.600000   35.23975 3.841215   47.59853   4.219918 -12.35878 5.706368 
1 1 1    4   12   14 o 17.74374 4.546103  3.737143 1.727143   4.800000 3.100000   2.400000 3.900000   19.10088 6.197669   16.38660   6.652602 2.714281 9.092206 
1 1 1    4   12   15 o 16.75848 4.686476  2.960000 1.800000   1.800000 3.000000   4.700000 4.500000   14.40898 5.839959   19.10798   7.331242 -4.698997 9.372952 
1 1 1    4   12   16 o 14.68960 4.202360  1.967742 1.509677   1.800000 2.600000   2.200000 3.600000   13.84289 5.495551   15.53630   6.359106 -1.693417 8.404719 
1 1 1    4   12   17 o 17.62414 4.459031  3.669231 1.903846   6.800000 3.300000 -0.6000000 4.500000   21.47315 6.299871   13.77513   6.312166 7.698015 8.918061 
1 1 1    4   14    0 o 35.40031 3.864700  15.86543 1.972839   18.30000 3.400000   12.50000 4.700000   39.49338 3.759191   31.30724   6.753674 8.186136 7.729400 
1 1 1    4   14    1 o 11.93324 3.951834 -5.294253 2.071265 -0.8000000 3.400000  -12.30000 5.300000   12.96725 5.751342   10.89923   5.421258 2.068022 7.903668 
1 1 1    4   14    2 o 26.37226 4.600030  8.981012 1.949367   7.700000 4.400000   10.00000 3.500000   24.43992 7.301097   28.30460   5.597775 -3.864679 9.200061 
1 1 1    4   14    3 o 37.51142 3.267346  17.10130 1.898701   19.00000 3.400000   14.70000 4.300000   40.19014 3.694019   34.83271   5.390400 5.357430 6.534691 
1 1 1    4   14    4 o 23.01102 3.987553  5.655696 1.974684  -1.700000 3.900000   13.20000 4.000000   13.10075 5.954362   32.92130   5.305457 -19.82054 7.975105 
1 1 1    4   14    5 o 16.70509 5.004671 0.8368421 2.353684  -1.200000 4.300000   3.300000 5.200000   14.15646 6.360203   19.25373   7.728825 -5.097267 10.00934 
1 1 1    4   14    6 o 13.48310 4.146017 -0.2690141 1.673239   1.100000 2.700000  -2.500000 4.400000   13.52636 5.518414   13.43985   6.189097 0.8651066E-01 8.292033 
1 1 1    4   14    7 o 26.00592 6.142558  8.900000 3.600000   8.900000 3.600000          ?        ?   26.00592 6.142558          ?          ?       ?       ? 
1 1 1    4   14    8 o 12.18314 3.983176 -1.983784 1.844595  -1.700000 3.500000  -2.300000 3.900000   12.02802 5.531898   12.33827   5.732439 -0.3102484 7.966351 
1 1 1    4   14    9 o 35.01252 3.290322  14.92466 1.701370   14.00000 2.700000   16.50000 4.600000   34.18630 3.448668   35.83873   5.604603 -1.652435 6.580645 
1 1 1    4   14   10 o 29.82947 3.760375  11.90000 1.724638   8.400000 3.500000   15.30000 3.400000   24.53237 6.220788   35.12657   4.226520 -10.59420 7.520750 
1 1 1    4   14   11 o 13.64851 4.214218 -1.077632 1.888158  -4.900000 3.500000   3.400000 4.100000   9.988543 4.852129   17.30849   6.891690 -7.319944 8.428436 
1 1 1    4   14   12 o 14.05203 4.455687      0.04 2.122353  -1.200000 4.400000   1.200000 4.100000   13.35108 6.162787   14.75297   6.436820 -1.401889 8.911374 
1 1 1    4   16    0 o 13.20305 4.165519 -1.175610 1.990244   2.100000 3.400000  -5.800000 4.800000   14.84084 6.138408   11.56526   5.632597 3.275581 8.331038 
1 1 1    4   16    1 o 18.21129 3.471280  3.179661 1.471186   9.800000 3.100000  -2.800000 2.800000   26.85602 5.228418   9.566550   4.567580 17.28947 6.942561 
1 1 1    4   16    2 o 16.38059 4.495910  2.677500 1.938750   5.400000 3.300000  -1.200000 4.700000   19.14952 6.402704   13.61166   6.313336 5.537857 8.991820 
1 1 1    5    1    0 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    5    1    1 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    5    1    2 o 260.5189 2.370631  777.4400 9.999000   781.4000 19.80000   773.4000 20.20000   261.1901 3.310153   259.8476   3.394473 1.342468 4.741261 
1 1 1    5    1    3 o 211.6585 2.374305  510.8905 7.274286   505.1000 11.40000   521.1000 20.10000   210.0173 2.370224   213.2996   4.114772 -3.282242 4.748611 
1 1 1    5    1    4 o 262.1010 2.696661  790.4987 10.65471   803.6000 17.60000   770.4000 27.00000   264.8858 2.901307   259.3163   4.546464 5.569550 5.393322 
1 1 1    5    1    5 o 355.6495 3.151495  1448.761 18.14656   1459.000 36.80000   1438.800 35.80000   356.8877 4.502522   354.4112   4.410779 2.476501 6.302989 
1 1 1    5    1    6 f 337.4144 3.025361  1303.836 16.50136   1319.300 34.30000   1289.500 31.80000   339.3357 4.413715   335.4932   4.138883 3.842468 6.050721 
1 1 1    5    1    7 o 329.7048 2.894403  1245.752 15.44417   1243.000 31.50000   1248.400 30.30000   329.3423 4.176406   330.0673   4.008481 -0.7249451 5.788806 
1 1 1    5    1    8 o 250.0134 2.260147  716.0967 9.148908   716.4000 18.50000   715.8000 18.10000   250.0644 3.230424   249.9623   3.161868 0.1020660 4.520293 
1 1 1    5    1    9 o 404.5598 3.565166  1875.286 23.31531   1850.000 44.90000   1902.600 48.50000   401.7385 4.880256   407.3810   5.198532 -5.642487 7.130332 
1 1 1    5    1   10 o 192.8844 2.239642  425.6783 6.691304   429.2000 16.20000   423.2000 11.40000   193.5497 3.654788   192.2190   2.589693 1.330704 4.479284 
1 1 1    5    1   11 o 413.9616 3.520425  1963.841 23.59619   1996.400 47.80000   1932.100 46.60000   417.3478 5.001146   410.5754   4.956016 6.772369 7.040849 
1 1 1    5    1   12 o 479.2413 3.933580  2632.895 30.52449   2609.700 61.30000   2655.900 60.80000   477.1344 5.609955   481.3481   5.515489 -4.213684 7.867160 
1 1 1    5    1   13 o 276.7842 2.555621  877.7550 11.44214   875.6000 23.50000   879.8000 22.30000   276.4490 3.711868   277.1194   3.513805 -0.6703796 5.111242 
1 1 1    5    1   14 o 351.3405 3.088731  1414.183 17.56472   1463.600 36.00000   1367.100 34.30000   357.3283 4.399211   345.3527   4.336816 11.97565 6.177461 
1 1 1    5    1   15 o 173.0010 1.750008  343.0000 4.900000   356.1000 9.800000   329.9000 9.800000   176.3075 2.427141   169.6946   2.521726 6.612900 3.500016 
1 1 1    5    1   16 o 176.2815 1.804279  356.0199 5.148058   357.6000 10.50000   354.5000 10.10000   176.6633 2.595270   175.8996   2.507241 0.7637024 3.608557 
1 1 1    5    1   17 o 243.8824 2.373203  680.5901 9.339733   648.3000 17.60000   717.1000 19.90000   237.7495 3.232456   250.0152   3.475572 -12.26569 4.746407 
1 1 1    5    1   18 o 84.99800 1.625613  83.03483 2.211236   85.20000 4.100000   80.50000 4.800000   86.21377 2.076572   83.78223   2.501664 2.431541 3.251227 
1 1 1    5    1   19 o 70.06050 1.916213  56.62093 2.120930   54.50000 4.800000   58.30000 3.800000   68.85085 3.044189   71.27014   2.328175 -2.419289 3.832426 
1 1 1    5    1   20 o 115.4425 1.687918  153.3651 3.149206   160.5000 6.200000   146.0000 6.400000   118.1915 2.290578   112.6935   2.479824 5.498016 3.375836 
1 1 1    5    1   21 o 16.61072 4.357755  2.531250 1.543750   3.100000 2.600000   1.700000 3.800000   16.75513 5.682801   16.46631   6.608016 0.2888203 8.715509 
1 1 1    5    1   22 o 68.02905 1.906215  53.52738 2.098809   54.50000 4.300000   52.60000 4.100000   68.62193 2.736184   67.43616   2.654793 1.185768 3.812431 
1 1 1    5    1   23 f 16.93002 3.746369  2.490909 1.352727   7.000000 3.100000  -1.000000 2.400000   23.37950 5.814202   10.48053   4.726117 12.89896 7.492739 
1 1 1    5    1   24 o 17.93466 4.480732  4.044615 1.624615   4.400000 3.300000   3.700000 3.200000   18.48477 6.398222   17.38455   6.274599 1.100218 8.961464 
1 1 1    5    1   25 o 54.03919 2.302481  35.20000 2.000000   39.90000 4.000000   30.50000 4.000000   57.83696 3.019912   50.24142   3.476465 7.595539 4.604962 
1 1 1    5    3    0 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    5    3    1 f 697.5378 6.949804  5589.633 74.96001   5556.200 181.3000   5613.200 127.8000   695.4753 11.38298   699.6003   7.976651 -4.125000 13.89961 
1 1 1    5    3    2 o 801.2465 9.380419  7377.857 121.6210   7301.600 237.2000   7458.100 249.6000   797.0609 12.99460   805.4321   13.53179 -8.371277 18.76084 
1 1 1    5    3    3 o 661.5171 5.400082  5015.088 57.83440   5105.600 117.6000   4927.500 113.8000   667.3836 7.694342   655.6505   7.578960 11.73309 10.80016 
1 1 1    5    3    4 o 75.79539 1.102058  65.86667 1.348148   67.60000 2.600000   64.00000 2.800000   76.83255 1.477637   74.75822   1.635456 2.074326 2.204116 
1 1 1    5    3    5 f 395.2144 3.473469  1790.412 22.22160   1773.100 45.00000   1807.300 43.90000   393.3206 4.995806   397.1081   4.827202 -3.787506 6.946939 
1 1 1    5    3    6 o 448.8085 3.910985  2308.990 28.40897   2350.400 58.20000   2269.500 55.50000   452.7288 5.613382   444.8881   5.447307 7.840668 7.821970 
1 1 1    5    3    7 o 181.0280 1.825995  375.5066 5.348131   369.7000 10.90000   381.1000 10.50000   179.6519 2.649319   182.4040   2.513591 -2.752090 3.651990 
1 1 1    5    3    8 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    5    3    9 f 126.7494 1.926786  184.9981 3.912102   197.3000 7.400000   171.2000 8.300000   131.2475 2.461957   122.2513   2.964589 8.996201 3.853573 
1 1 1    5    3   10 o 443.8844 3.822082  2258.010 27.46497   2305.500 56.00000   2212.300 53.90000   448.4591 5.452616   439.3097   5.357445 9.149414 7.644164 
1 1 1    5    3   11 o 566.7523 5.265129  3660.868 43.66206   3593.300 69.00000   3777.300 118.9000   559.9211 5.380988   573.5836   9.051590 -13.66248 10.53026 
1 1 1    5    3   12 o 247.1812 2.632754  692.4139 9.525547   671.1000 15.00000   729.5000 26.10000   242.0567 2.705913   252.3056   4.517035 -10.24881 5.265507 
1 1 1    5    3   13 o 193.0180 2.144566  429.6661 6.176538   439.3000 10.10000   414.5000 15.90000   195.8428 2.251923   190.1933   3.650410 5.649521 4.289132 
1 1 1    5    3   14 o 345.3212 3.438837  1358.919 17.54667   1332.300 28.00000   1403.600 47.00000   340.9505 3.585968   349.6920   5.868834 -8.741516 6.877673 
1 1 1    5    3   15 o 115.6645 1.771811  154.8148 3.024219   159.6000 4.900000   147.1000 7.900000   118.0400 1.812619   113.2890   3.044941 4.750969 3.543622 
1 1 1    5    3   16 o 286.1530 2.985469  937.3192 12.52551   929.5000 19.90000   950.6000 33.80000   284.7213 3.051918   287.5848   5.132046 -2.863464 5.970937 
1 1 1    5    3   17 o 14.00682 3.616070 -0.1310345 1.406897   3.800000 2.400000  -5.700000 3.400000   18.06577 5.391154   9.947866   4.820717 8.117905 7.232140 
1 1 1    5    3   18 o 42.69466 3.002452  20.25181 1.942169   17.60000 3.100000   24.70000 5.200000   39.12798 3.459505   46.26134   4.908228 -7.133362 6.004904 
1 1 1    5    3   19 o 82.94316 2.073040  80.38868 2.465094   83.70000 3.900000   74.70000 6.700000   85.40451 1.993993   80.48181   3.635103 4.922699 4.146080 
1 1 1    5    3   20 o 90.86865 1.940520  95.48036 2.710714   97.00000 4.600000   93.30000 6.600000   91.85569 2.186711   89.88162   3.206363 1.974068 3.881040 
1 1 1    5    3   21 o 23.88895 3.991735  7.086885 1.521312   6.300000 3.200000   7.800000 2.900000   22.53860 6.065852   25.23929   5.190495 -2.700691 7.983470 
1 1 1    5    3   22 o 52.44739 2.139315  32.22395 1.715493   33.00000 2.900000   31.10000 4.200000   53.39821 2.371434   51.49657   3.561317 1.901642 4.278630 
1 1 1    5    3   23 o 18.48458 4.471068  4.101538 1.621538   3.100000 3.100000   5.200000 3.400000   16.78045 6.157443   20.18872   6.484420 -3.408274 8.942136 
1 1 1    5    3   24 o 41.34686 3.244134  20.85632 2.091954   18.00000 3.500000   25.10000 5.200000   38.34156 3.986007   44.35215   5.119509 -6.010597 6.488268 
1 1 1    5    3   25 o 29.99369 3.923997  15.27738 1.898810   22.70000 2.900000   1.200000 5.500000   43.59465 2.904721   16.39272   7.290652 27.20193 7.847994 
1 1 1    5    5    0 o 55.81678 1.247322  35.73778 1.124444   34.00000 2.300000   37.40000 2.200000   54.48669 1.843220   57.14688   1.681008 -2.660187 2.494644 
1 1 1    5    5    1 o 200.9054 1.921550  462.2140 6.243600   466.6000 12.90000   458.1000 12.10000   201.8270 2.790938   199.9839   2.641983 1.843048 3.843099 
1 1 1    5    5    2 o 251.8970 2.414829  726.7437 9.843656   737.1000 20.20000   716.9000 19.20000   253.6443 3.477491   250.1497   3.351514 3.494629 4.829657 
1 1 1    5    5    3 o 455.7741 3.898758  2382.190 28.77481   2405.400 57.70000   2359.100 57.40000   457.9902 5.501224   453.5580   5.526101 4.432220 7.797515 
1 1 1    5    5    4 o 731.4683 6.084741  6149.011 72.07304   6185.600 144.9000   6112.800 143.4000   733.6272 8.624475   729.3093   8.585727 4.317871 12.16948 
1 1 1    5    5    5 o 410.1593 3.595084  1928.643 23.87057   1935.400 47.10000   1921.700 48.40000   410.8949 5.005297   409.4237   5.161930 1.471222 7.190168 
1 1 1    5    5    6 o 287.8895 3.240850  952.3269 14.78765   928.7000 33.30000   971.2000 26.60000   284.6398 5.108440   291.1393   3.989520 -6.499451 6.481699 
1 1 1    5    5    7 o 351.8596 3.840311  1421.849 20.64709   1408.900 51.20000   1430.600 34.60000   350.4171 6.380055   353.3022   4.276313 -2.885101 7.680622 
1 1 1    5    5    8 o 332.3772 2.996955  1264.715 16.08279   1294.200 33.90000   1238.100 30.60000   336.0490 4.404908   328.7054   4.064941 7.343536 5.993910 
1 1 1    5    5    9 f 242.7713 2.340055  674.9603 9.197555   660.5000 18.10000   689.9000 18.70000   240.1287 3.291351   245.4138   3.327226 -5.285126 4.680109 
1 1 1    5    5   10 o 241.6230 2.332096  668.4356 9.116713   682.6000 18.80000   655.1000 17.70000   244.1049 3.362954   239.1411   3.231906 4.963837 4.664191 
1 1 1    5    5   11 o 178.1540 1.837480  363.5585 5.298113   364.0000 10.40000   363.1000 10.80000   178.2654 2.547451   178.0426   2.648741 0.2227936 3.674961 
1 1 1    5    5   12 o 413.7021 3.539497  1961.277 23.64420   1993.100 49.70000   1932.400 45.10000   416.8762 5.205818   410.5279   4.797042 6.348297 7.078994 
1 1 1    5    5   13 o 186.4580 1.987714  398.1333 5.989583   404.8000 12.50000   392.0000 11.50000   187.9514 2.904050   184.9646   2.714870 2.986862 3.975428 
1 1 1    5    5   14 o 213.8684 2.240581  523.5932 7.636893   518.1000 13.80000   530.4000 17.10000   212.6336 2.833915   215.1033   3.471273 -2.469681 4.481162 
1 1 1    5    5   15 o 145.5031 1.729616  242.6288 4.073620   241.5000 8.000000   243.8000 8.300000   145.1604 2.406476   145.8457   2.484988 -0.6852570 3.459232 
1 1 1    5    5   16 o 34.37885 2.913982  13.33692 1.578462   11.80000 2.700000   15.50000 3.800000   32.05184 3.678328   36.70584   4.520516 -4.654003 5.827964 
1 1 1    5    5   17 o 35.34884 3.509680  15.14730 1.801351   17.20000 3.100000   12.30000 4.300000   38.66447 3.500978   32.03321   6.083961 6.631256 7.019361 
1 1 1    5    5   18 o 69.60623 1.721108  56.12632 1.852632   58.40000 3.200000   53.00000 4.400000   71.33615 1.958755   67.87632   2.830571 3.459831 3.442216 
1 1 1    5    5   19 o 80.16425 1.998258  74.36000 2.331000   75.10000 3.700000   73.10000 6.300000   80.84407 1.998450   79.48442   3.460973 1.359650 3.996516 
1 1 1    5    5   20 o 68.05008 2.342446  53.35200 2.304000   52.20000 3.600000   55.40000 6.400000   67.27910 2.336480   68.82107   4.060675 -1.541969 4.684893 
1 1 1    5    5   21 o 46.22240 2.793077  26.00641 1.821795   28.20000 2.900000   22.30000 4.900000   49.31648 2.567708   43.12831   4.961047 6.188168 5.586154 
1 1 1    5    5   22 o 21.25185 4.501763  5.816418 1.671642   5.100000 3.200000   6.600000 3.500000   20.01591 6.274873   22.48779   6.456738 -2.471878 9.003527 
1 1 1    5    5   23 o 40.56343 2.803211  20.04028 1.731945   20.00000 2.900000   20.10000 4.300000   40.99650 3.088808   40.13036   4.678806 0.8661385 5.606421 
1 1 1    5    5   24 f 18.40872 3.872087  4.336066 1.475410   7.000000 2.500000  0.5000000 3.600000   23.08083 4.882104   13.73661   6.011430 9.344214 7.744174 
1 1 1    5    7    0 o 113.4828 1.723702  146.5600 3.000000   152.5000 7.500000   142.6000 5.000000   115.3811 2.838353   111.5846   1.956616 3.796509 3.447404 
1 1 1    5    7    1 o 218.1259 2.779517  547.2557 9.005249   554.0000 14.60000   536.4000 23.50000   219.9189 2.898879   216.3328   4.743350 3.586014 5.559034 
1 1 1    5    7    2 o 160.6917 1.826619  295.7990 4.745263   297.3000 9.200000   294.2000 9.800000   161.1141 2.493412   160.2692   2.670027 0.8448334 3.653238 
1 1 1    5    7    3 o 212.5070 2.012515  517.3198 6.924910   522.8000 13.80000   511.8000 13.90000   213.6374 2.820600   211.3766   2.871426 2.260818 4.025031 
1 1 1    5    7    4 o 89.89171 1.236481  92.46667 1.798611   87.80000 3.500000   97.40000 3.700000   87.56036 1.745421   92.22306   1.751870 -4.662704 2.472962 
1 1 1    5    7    5 o 138.8804 1.500559  220.7911 3.373333   228.1000 6.900000   213.8000 6.600000   141.1280 2.134891   136.6328   2.109252 4.495132 3.001117 
1 1 1    5    7    6 o 228.2279 2.164843  596.6116 7.997187   598.7000 16.30000   594.6000 15.70000   228.6186 3.113262   227.8371   3.008949 0.7814484 4.329686 
1 1 1    5    7    7 f 293.5589 2.593295  987.1081 12.31359   979.4000 23.90000   995.3000 25.40000   292.3814 3.569340   294.7364   3.763047 -2.355042 5.186589 
1 1 1    5    7    8 o 48.54877 1.780986  27.00000 1.400000   27.50000 2.800000   26.50000 2.800000   48.99847 2.495256   48.09906   2.541916 0.8994141 3.561971 
1 1 1    5    7    9 o 179.0234 1.863653  367.2491 5.398148   372.5000 10.60000   361.8000 11.00000   180.3296 2.566720   177.7172   2.702732 2.612442 3.727306 
1 1 1    5    7   10 o 310.0439 2.932690  1101.013 14.69847   1136.300 30.70000   1068.600 28.20000   314.7937 4.258455   305.2942   4.033391 9.499542 5.865380 
1 1 1    5    7   11 o 135.6055 1.764600  210.6897 3.874839   209.1000 7.700000   212.3000 7.800000   135.0909 2.488883   136.1202   2.502141 -1.029312 3.529199 
1 1 1    5    7   12 o 127.8627 1.776077  187.4163 3.673469   190.6000 7.200000   184.1000 7.500000   128.9744 2.437635   126.7510   2.583745 2.223412 3.552155 
1 1 1    5    7   13 o 68.39020 1.917652  53.45882 2.117647   57.80000 4.500000   49.60000 4.000000   71.00312 2.767418   65.77727   2.655363 5.225853 3.835304 
1 1 1    5    7   14 o 87.55782 1.604476  87.88351 2.274725   89.40000 4.600000   86.40000 4.500000   88.30469 2.274646   86.81096   2.263485 1.493729 3.208953 
1 1 1    5    7   15 o 40.48222 2.876076  19.06757 1.848649   24.10000 3.800000   14.30000 3.600000   45.76082 3.626014   35.20363   4.465342 10.55719 5.752152 
1 1 1    5    7   16 o 92.42754 1.737094  98.12404 2.599039   99.50000 5.300000   96.80000 5.100000   93.05943 2.486882   91.79564   2.425983 1.263786 3.474187 
1 1 1    5    7   17 o 41.79361 2.514855  20.21177 1.698529   20.60000 3.300000   19.80000 3.500000   42.22362 3.412700   41.36360   3.694788 0.8600235 5.029710 
1 1 1    5    7   18 o 29.35984 3.323275  10.07742 1.524194   7.900000 2.700000   12.90000 3.500000   25.55030 4.790309   33.16938   4.607553 -7.619081 6.646549 
1 1 1    5    7   19 o 27.27206 5.932788  9.300000 3.600000   9.300000 3.600000          ?        ?   27.27206 5.932788          ?          ?       ?       ? 
1 1 1    5    7   20 o 21.73480 4.673025  5.972727 1.909091   3.300000 4.200000   8.200000 3.500000   18.25453 7.061549   25.21508   6.122351 -6.960545 9.346050 
1 1 1    5    7   21 o 33.94906 3.193169  15.40000 1.440000   18.80000 2.400000   10.30000 3.600000   40.00932 2.619327   27.88880   5.824469 12.12053 6.386338 
1 1 1    5    7   22 o 17.70529 4.542113  3.727273 1.651948   4.600000 2.400000   1.800000 5.300000   18.54460 5.353130   16.86598   7.339426 1.678617 9.084227 
1 1 1    5    7   23 o 20.69336 4.629431  6.076923 2.043956   8.700000 3.100000   1.000000 6.000000   25.04663 5.550398   16.34009   7.410776 8.706539 9.258862 
1 1 1    5    9    0 o 113.3972 1.650611  147.5025 3.023140   153.5000 5.900000   141.2000 6.200000   115.7661 2.225411   111.0282   2.438362 4.737968 3.301221 
1 1 1    5    9    1 o 322.3912 2.839616  1190.609 14.81282   1167.200 28.80000   1215.400 30.50000   319.1351 3.940557   325.6473   4.089705 -6.512207 5.679232 
1 1 1    5    9    2 o 106.0185 1.702480  129.2569 2.878448   134.1000 5.300000   123.5000 6.300000   108.2043 2.138805   103.8327   2.649391 4.371552 3.404961 
1 1 1    5    9    3 o 348.1951 3.059551  1389.900 17.25000   1410.700 34.50000   1369.100 34.50000   350.8036 4.294324   345.5867   4.359150 5.216888 6.119102 
1 1 1    5    9    4 o 41.76785 2.400163  19.88461 1.615385   22.20000 3.500000   17.90000 3.000000   44.01297 3.472378   39.52272   3.314471 4.490257 4.800326 
1 1 1    5    9    5 o 241.9924 2.373061  670.9263 9.295699   686.3000 19.00000   656.2000 18.20000   244.7033 3.390419   239.2815   3.321253 5.421829 4.746121 
1 1 1    5    9    6 o 84.19044 1.469688  81.24500 1.995000   82.10000 3.800000   80.30000 4.200000   84.65903 1.959973   83.72185   2.190535 0.9371796 2.939377 
1 1 1    5    9    7 o 91.62490 1.869440  95.78108 2.756757   102.7000 6.000000   89.90000 5.100000   94.67001 2.767442   88.57979   2.514058 6.090225 3.738879 
1 1 1    5    9    8 o 131.7319 1.758202  198.8640 3.749333   199.9000 7.400000   197.8000 7.600000   132.0812 2.446416   131.3826   2.525895 0.6986084 3.516404 
1 1 1    5    9    9 o 88.86282 1.671306  90.51250 2.390625   90.70000 4.500000   90.30000 5.100000   88.96590 2.208659   88.75974   2.508961 0.2061691 3.342613 
1 1 1    5    9   10 o 38.70213 2.646929  17.16364 1.625758   16.90000 2.900000   17.50000 3.700000   38.37642 3.299691   39.02783   4.139683 -0.6514091 5.293858 
1 1 1    5    9   11 o 66.57335 1.884536  50.93086 2.024691   56.60000 4.100000   45.40000 4.000000   70.24484 2.548644   62.90186   2.776747 7.342987 3.769072 
1 1 1    5    9   12 o 110.2608 1.722516  139.5642 3.074797   137.8000 6.200000   141.3000 6.100000   109.5657 2.470910   110.9560   2.400594 -1.390373 3.445032 
1 1 1    5    9   13 o 134.8957 1.876669  208.9512 4.094512   216.0000 8.500000   202.4000 7.900000   137.0784 2.707632   132.7130   2.599282 4.365417 3.753337 
1 1 1    5    9   14 o 64.00272 1.855006  46.80909 1.909091   52.10000 4.200000   42.40000 3.500000   67.28445 2.725676   60.72099   2.516917 6.563454 3.710011 
1 1 1    5    9   15 o 66.41589 1.930029  50.83374 2.072289   50.40000 4.000000   51.30000 4.300000   66.13615 2.640954   66.69564   2.815210 -0.5594864 3.860057 
1 1 1    5    9   16 o 42.39806 2.294549  20.52222 1.526984   23.40000 3.700000   18.50000 2.600000   44.81683 3.604959   39.97929   2.839736 4.837532 4.589099 
1 1 1    5    9   17 o 11.58273 3.605726 -1.415789 1.421053  -4.100000 3.000000   1.000000 2.700000   9.680538 4.650177   13.48492   5.511887 -3.804386 7.211452 
1 1 1    5    9   18 o 34.75695 2.918704  14.46923 1.621538   15.90000 3.100000   12.90000 3.400000   36.70203 3.688173   32.81187   4.524677 3.890160 5.837407 
1 1 1    5    9   19 o 42.02620 2.536208  21.31765 1.676471   22.20000 3.000000   20.20000 3.800000   43.29607 3.025607   40.75634   4.071254 2.539730 5.072416 
1 1 1    5    9   20 f 36.21285 2.943226  16.27761 1.611940   16.60000 2.700000   15.80000 4.000000   37.22379 3.167254   35.20190   4.961735 2.021889 5.886451 
1 1 1    5    9   21 o 12.52795 3.816724     -0.08 1.521312  -2.700000 3.200000   2.300000 2.900000   10.45616 4.961129   14.59974   5.801443 -4.143575 7.633449 
1 1 1    5   11    0 o 41.36452 3.262645  18.97841 2.107955   24.70000 5.300000   15.20000 3.500000   46.34840 4.993221   36.38064   4.200853 9.967766 6.525291 
1 1 1    5   11    1 o 70.57918 2.234571  57.07745 2.546078   64.30000 5.300000   50.40000 4.900000   74.87421 3.090889   66.28413   3.227946 8.590080 4.469141 
1 1 1    5   11    2 o 93.86832 2.023248  101.0341 3.073171   100.4000 6.000000   101.7000 6.300000   93.56945 2.799992   94.16719   2.921330 -0.5977402 4.046495 
1 1 1    5   11    3 o 112.8558 1.899977  144.6878 3.423022   132.4000 6.100000   160.4000 7.800000   107.4601 2.478691   118.2515   2.880233 -10.79144 3.799954 
1 1 1    5   11    4 o 93.70627 1.932644  100.8846 2.919658   97.60000 6.100000   103.9000 5.600000   92.23132 2.887960   95.18121   2.569073 -2.949898 3.865288 
1 1 1    5   11    5 o 125.4482 1.858107  180.3080 3.766887   174.3000 7.200000   186.9000 7.900000   123.2664 2.550513   127.6300   2.702801 -4.363625 3.716214 
1 1 1    5   11    6 f 29.26039 3.663850  10.16418 1.674627   12.60000 3.400000   7.800000 3.300000   33.06078 4.490613   25.46000   5.790473 7.600775 7.327700 
1 1 1    5   11    7 o 85.32124 2.036035  83.90357 2.791964   87.50000 5.300000   79.90000 5.900000   87.28233 2.651486   83.36017   3.090531 3.922157 4.072071 
1 1 1    5   11    8 o 24.30437 4.002614  7.148387 1.509677   7.400000 2.600000   6.800000 3.600000   24.87896 4.736325   23.72977   6.453752 1.149197 8.005228 
1 1 1    5   11    9 o 88.18095 1.755118  89.45500 2.499000   79.90000 4.900000   99.40000 5.100000   83.35975 2.566725   93.00214   2.394511 -9.642395 3.510237 
1 1 1    5   11   10 o 45.56809 2.615140  22.56154 1.794872   17.50000 2.800000   31.60000 5.000000   38.94838 3.139123   52.18781   4.183508 -13.23944 5.230281 
1 1 1    5   11   11 o 32.55637 3.653426  12.73378 1.844595   14.20000 3.500000   11.10000 3.900000   34.91497 4.377197   30.19777   5.850661 4.717199 7.306852 
1 1 1    5   11   12 o 49.21996 2.386651  28.16710 1.898684   28.80000 3.700000   27.50000 3.900000   49.81553 3.243222   48.62439   3.502274 1.191139 4.773302 
1 1 1    5   11   13 o 20.59210 4.194705  5.249153 1.474576   5.200000 2.900000   5.300000 3.000000   20.49564 5.875136   20.68856   5.988739 -0.1929207 8.389411 
1 1 1    5   11   14 o 13.67523 4.035556 0.6350000 1.485000 -0.4000000 2.700000   1.900000 3.300000   11.80918 5.186015   15.54128   6.184506 -3.732100 8.071113 
1 1 1    5   11   15 o 33.54865 2.991028  13.44462 1.624615   13.80000 3.300000   13.10000 3.200000   33.98177 4.240408   33.11552   4.219472 0.8662491 5.982057 
1 1 1    5   11   16 o 38.28975 2.984258  17.90000 1.850000   17.50000 3.700000   18.30000 3.700000   37.83359 4.270354   38.74591   4.169803 -0.9123192 5.968516 
1 1 1    5   11   17 o 32.01706 3.792304  14.58696 1.681159   19.00000 2.900000   8.500000 4.000000   39.81203 3.180705   24.22208   6.885448 15.58995 7.584608 
1 1 1    5   11   18 o 14.73459 3.978196 -1.005714 1.744286   6.500000 3.700000  -7.700000 3.300000   21.07906 6.763827   8.390120   4.189846 12.68894 7.956391 
1 1 1    5   13    0 o 23.43039 4.029768  6.293334 1.866667   0.000000 4.000000   11.80000 3.500000   15.08034 6.467642   31.78044   4.808923 -16.70011 8.059537 
1 1 1    5   13    1 o 18.35033 4.488899  2.869014 1.746479 -0.1000000 3.100000   6.700000 4.000000   13.22583 5.683592   23.47483   6.949649 -10.24901 8.977798 
1 1 1    5   13    2 o 35.61148 3.492554  14.90250 1.995000   15.90000 3.800000   13.80000 4.200000   36.93668 4.492266   34.28628   5.348951 2.650398 6.985107 
1 1 1    5   13    3 o 42.97793 2.592097  21.65634 1.774648   25.60000 3.500000   17.60000 3.600000   47.04937 3.248284   38.90650   4.040360 8.142868 5.184193 
1 1 1    5   13    4 o 29.34241 3.643163  10.21323 1.686765   8.800000 3.100000   11.90000 3.700000   26.89637 5.221053   31.78846   5.082437 -4.892090 7.286326 
1 1 1    5   13    5 o 16.08953 4.337856 0.4526317 1.894737   5.000000 3.600000  -4.600000 4.000000   20.52032 6.679812   11.65875   5.536072 8.861567 8.675713 
1 1 1    5   13    6 o 31.26165 3.583099  11.94058 1.724638   14.70000 3.400000   9.100000 3.500000   35.41357 4.192267   27.10973   5.811996 8.303841 7.166198 
1 1 1    5   13    7 o 19.39054 5.050447  3.900000 2.095238   5.000000 4.400000   2.900000 4.000000   20.89279 7.377497   17.88828   6.899317 3.004509 10.10089 
1 1 1    5   13    8 o 21.36824 4.686139  5.711111 1.777778   5.800000 3.200000   5.600000 4.000000   21.43180 6.179729   21.30469   7.046314 0.1271076 9.372278 
1 1 1    5   13    9 o 13.37131 4.217967 -0.6249999 1.687500  -1.300000 2.700000  0.5000000 4.500000   10.91879 4.959442   15.82382   6.824143 -4.905027 8.435934 
1 1 1    5   13   10 o 21.98928 4.705012  6.184931 1.808219   7.500000 4.000000   5.100000 3.300000   23.88404 6.915623   20.09454   6.381435 3.789499 9.410025 
1 1 1    5   13   11 o 26.72958 4.554975  9.676923 1.938461   10.70000 4.200000   8.800000 3.600000   27.92641 6.660549   25.53275   6.215166 2.393656 9.109950 
1 1 1    5   13   12 o 22.45839 4.936587  6.440000 2.040000   2.600000 3.400000   12.20000 5.100000   15.98298 6.303594   28.93380   7.598965 -12.95082 9.873175 
1 1 1    5   13   13 o 15.87032 4.524872  2.110256 1.867949   3.700000 3.100000 -0.3000000 4.700000   17.05973 6.172947   14.68090   6.617596 2.378836 9.049744 
1 1 1    5   13   14 o 18.15554 4.490345  4.489394 1.643939   5.100000 3.100000   3.800000 3.500000   19.09048 6.197834   17.22060   6.499204 1.869881 8.980690 
1 1 1    5   15    0 o 16.50539 4.452988  2.582857 1.748571   5.000000 3.600000  0.3000000 3.400000   19.48026 6.686137   13.53053   5.883193 5.949731 8.905975 
1 1 1    5   15    1 o 13.94664 4.333607 -0.8493670 1.967089  -3.800000 3.700000   2.500000 4.200000   11.08210 5.279925   16.81118   6.873353 -5.729084 8.667213 
1 1 1    5   15    2 o 21.10689 4.710107  5.862338 1.924675   8.800000 3.900000   3.000000 3.800000   25.25771 6.650687   16.95606   6.671491 8.301645 9.420214 
1 1 1    5   15    3 o 17.93947 4.874295  3.238823 2.122353  0.2000000 4.100000   6.500000 4.400000   14.41102 6.357366   21.46792   7.390460 -7.056902 9.748590 
1 1 1    5   15    4 o 20.32131 5.193949  5.688636 2.086364   4.800000 3.400000   7.100000 5.400000   18.79761 6.495127   21.84502   8.106894 -3.047413 10.38790 
1 1 1    5   15    5 o 24.93121 5.093742  9.086207 2.140230   8.300000 3.800000   10.10000 4.900000   24.08990 6.663469   25.77251   7.706038 -1.682611 10.18748 
1 1 1    5   15    6 o 15.46727 4.630759  1.589024 2.006098   2.400000 3.500000  0.5000000 4.700000   15.66364 6.322071   15.27091   6.768098 0.3927383 9.261518 
1 1 1    5   15    7 o 15.25939 4.799609 0.4854167 2.395833   1.300000 4.600000 -0.4000000 5.000000   15.65055 6.823515   14.86824   6.751638 0.7823029 9.599217 
1 1 1    5   15    8 o 14.46596 4.592607 -0.8265959 2.345745  -4.800000 4.500000   3.500000 4.900000   11.54367 5.582357   17.38825   7.294208 -5.844584 9.185215 
1 1 1    6    0    0 o 51.15411 1.025260  30.00000 1.200000   30.00000 1.200000   30.00000 1.200000   51.15411 1.025260   51.15411   1.025260 0.000000 0.000000 
1 1 1    6    0    1 o 242.7157 3.095490  675.0000 17.20000   675.0000 17.20000   675.0000 17.20000   242.7157 3.095490   242.7157   3.095490 0.000000 0.000000 
1 1 1    6    0    2 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    6    0    3 o 240.2226 3.255057  661.2000 17.90000   661.2000 17.90000   661.2000 17.90000   240.2226 3.255057   240.2226   3.255057 0.000000 0.000000 
1 1 1    6    0    4 o 762.7776 12.43546  6680.200 217.1000   6680.200 217.1000   6680.200 217.1000   762.7776 12.43546   762.7776   12.43546 0.000000 0.000000 
1 1 1    6    0    5 o 775.2144 12.19600  6896.100 216.4000   6896.100 216.4000   6896.100 216.4000   775.2144 12.19600   775.2144   12.19600 0.000000 0.000000 
1 1 1    6    0    6 o 252.5990 3.199166  731.1000 18.50000   731.1000 18.50000   731.1000 18.50000   252.5990 3.199166   252.5990   3.199166 0.000000 0.000000 
1 1 1    6    0    7 o 323.8985 4.032307  1202.300 29.90000   1202.300 29.90000   1202.300 29.90000   323.8985 4.032307   323.8985   4.032307 0.000000 0.000000 
1 1 1    6    0    8 f 174.4225 2.329135  348.6000 9.300000   348.6000 9.300000   348.6000 9.300000   174.4225 2.329135   174.4225   2.329135 0.000000 0.000000 
1 1 1    6    0    9 o 261.3067 3.510630  782.5000 21.00000   782.5000 21.00000   782.5000 21.00000   261.3067 3.510630   261.3067   3.510630 0.000000 0.000000 
1 1 1    6    0   10 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    6    0   11 o 718.4127 8.031391  5920.400 132.1000   5920.400 132.1000   5920.400 132.1000   718.4127 8.031391   718.4127   8.031391 0.000000 0.000000 
1 1 1    6    0   12 f 108.5606 2.012679  135.1000 5.000000   135.1000 5.000000   135.1000 5.000000   108.5606 2.012679   108.5606   2.012679 0.000000 0.000000 
1 1 1    6    0   13 o 33.30794 2.387942  12.90000 1.800000   12.90000 1.800000   12.90000 1.800000   33.30794 2.387942   33.30794   2.387942 0.000000 0.000000 
1 1 1    6    0   14 o 88.53895 1.925457  89.90000 3.900000   89.90000 3.900000   89.90000 3.900000   88.53895 1.925457   88.53895   1.925457 0.000000 0.000000 
1 1 1    6    0   15 o 346.0180 4.355270  1372.800 34.50000   1372.800 34.50000   1372.800 34.50000   346.0180 4.355270   346.0180   4.355270 0.000000 0.000000 
1 1 1    6    0   16 o 174.8683 2.623241  350.5000 10.50000   350.5000 10.50000   350.5000 10.50000   174.8683 2.623241   174.8683   2.623241 0.000000 0.000000 
1 1 1    6    0   17 o 83.96106 2.606035  81.00000 5.000000   81.00000 5.000000   81.00000 5.000000   83.96106 2.606035   83.96106   2.606035 0.000000 0.000000 
1 1 1    6    0   18 o 217.7911 3.109072  544.2000 15.50000   544.2000 15.50000   544.2000 15.50000   217.7911 3.109072   217.7911   3.109072 0.000000 0.000000 
1 1 1    6    0   19 o 64.96741 2.427307  48.60000 3.600000   48.60000 3.600000   48.60000 3.600000   64.96741 2.427307   64.96741   2.427307 0.000000 0.000000 
1 1 1    6    0   20 o 32.32170 4.761315  12.80000 3.300000   12.80000 3.300000   12.80000 3.300000   32.32170 4.761315   32.32170   4.761315 0.000000 0.000000 
1 1 1    6    0   21 o 163.5055 2.484943  307.4000 9.300000   307.4000 9.300000   307.4000 9.300000   163.5055 2.484943   163.5055   2.484943 0.000000 0.000000 
1 1 1    6    0   22 o 17.02220 7.664042  5.000000 3.200000   5.000000 3.200000   5.000000 3.200000   17.02220 7.664042   17.02220   7.664042 0.000000 0.000000 
1 1 1    6    0   23 o 14.02864 7.426455  3.500000 3.200000   3.500000 3.200000   3.500000 3.200000   14.02864 7.426455   14.02864   7.426455 0.000000 0.000000 
1 1 1    6    0   24 o 9.695857 6.808696 -5.000000 5.800000  -5.000000 5.800000  -5.000000 5.800000   9.695857 6.808696   9.695857   6.808696 0.000000 0.000000 
1 1 1    6    0   25 o 27.22440 5.418851  9.900000 3.000000   9.900000 3.000000   9.900000 3.000000   27.22440 5.418851   27.22440   5.418851 0.000000 0.000000 
1 1 1    6    2    0 o 342.3034 2.962794  1341.218 16.40822   1302.400 31.80000   1382.600 33.90000   337.1923 4.118028   347.4146   4.260802 -10.22235 5.925587 
1 1 1    6    2    1 o 694.6157 11.03874  5535.300 175.6000   5535.300 175.6000          ?        ?   694.6157 11.03874          ?          ?       ?       ? 
1 1 1    6    2    2 o 425.8228 3.676450  2076.851 25.33333   2104.800 52.00000   2050.300 49.40000   428.6109 5.297608   423.0346   5.099068 5.576355 7.352900 
1 1 1    6    2    3 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    6    2    4 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    6    2    5 o 489.9938 4.267626  2752.728 33.83338   2737.600 69.20000   2767.200 66.20000   488.6625 6.183534   491.3252   5.883404 -2.662628 8.535253 
1 1 1    6    2    6 o 311.0798 2.843568  1108.539 14.31763   1129.300 29.30000   1088.700 28.00000   313.9240 4.075518   308.2355   3.966569 5.688477 5.687136 
1 1 1    6    2    7 o 498.2838 4.909860  2838.003 35.10255   2808.400 54.60000   2891.300 98.30000   494.9607 4.816833   501.6068   8.557162 -6.646149 9.819720 
1 1 1    6    2    8 o 317.6151 3.174232  1161.619 15.11433   1180.600 24.80000   1132.000 38.70000   321.0152 3.373384   314.2150   5.378036 6.800171 6.348464 
1 1 1    6    2    9 o 86.96861 1.454039  87.81898 1.883544   91.90000 3.100000   81.50000 4.800000   89.58241 1.511049   84.35482   2.484684 5.227585 2.908079 
1 1 1    6    2   10 o 261.4615 2.690025  777.0252 10.34234   759.0000 16.40000   807.8000 28.00000   257.4211 2.781887   265.5020   4.605002 -8.080963 5.380050 
1 1 1    6    2   11 o 403.6092 3.895097  1859.746 22.89625   1839.300 36.10000   1895.200 62.60000   400.6848 3.934087   406.5336   6.723844 -5.848724 7.790194 
1 1 1    6    2   12 o 451.9362 4.449801  2305.771 28.23847   2224.900 42.80000   2462.600 83.00000   440.6512 4.241198   463.2211   7.824011 -22.56989 8.899602 
1 1 1    6    2   13 o 96.94702 1.576270  108.6792 2.295833   112.4000 3.800000   103.0000 5.800000   99.06877 1.674891   94.82528   2.670814 4.243492 3.152539 
1 1 1    6    2   14 o 103.8891 1.842826  124.1908 2.746218   125.6000 4.300000   121.7000 7.600000   104.7208 1.792979   103.0575   3.220133 1.663330 3.685652 
1 1 1    6    2   15 o 176.2552 2.079117  354.2718 5.623931   346.8000 9.400000   365.4000 14.00000   173.9809 2.359207   178.5296   3.424187 -4.548752 4.158235 
1 1 1    6    2   16 o 162.9740 2.146904  305.9250 5.215909   310.6000 8.500000   298.5000 13.50000   164.6393 2.254369   161.3087   3.654396 3.330612 4.293808 
1 1 1    6    2   17 o 36.53625 3.051133  14.26806 1.565278   12.00000 2.300000   19.10000 4.900000   32.34171 3.105308   40.73080   5.253067 -8.389091 6.102265 
1 1 1    6    2   18 o 146.8527 2.034867  250.1484 4.365592   257.6000 7.000000   237.8000 11.60000   149.8869 2.039267   143.8184   3.521950 6.068451 4.069735 
1 1 1    6    2   19 o 99.48357 1.853550  114.0330 2.666087   114.8000 4.200000   112.7000 7.300000   100.0370 1.833278   98.93013   3.222063 1.106873 3.707101 
1 1 1    6    2   20 o 12.46957 3.755921 -0.2763636 1.374545  -1.700000 2.700000   1.200000 2.800000   10.78026 4.920761   14.15887   5.675728 -3.378609 7.511842 
1 1 1    6    2   21 o 20.78646 4.269848  5.209836 1.491803   4.400000 2.600000   6.300000 3.500000   19.02738 5.594662   22.54554   6.451834 -3.518160 8.539696 
1 1 1    6    2   22 o 14.41148 3.704941  1.009091 1.363636   4.100000 2.500000  -2.700000 3.000000   18.25355 5.514842   10.56942   4.949028 7.684138 7.409883 
1 1 1    6    2   23 o 36.91870 2.809249  16.31492 1.674627   17.30000 3.300000   15.30000 3.400000   38.12532 3.779551   35.71208   4.157225 2.413239 5.618498 
1 1 1    6    2   24 o 39.97808 3.655931  20.46333 2.090000   20.50000 3.300000   20.40000 5.700000   41.19227 3.498146   38.76389   6.420772 2.428383 7.311862 
1 1 1    6    2   25 o 16.55802 4.722205  3.000000 1.765432   3.000000 2.600000   3.000000 5.500000   15.49804 5.646288   17.61800   7.570753 -2.119961 9.444409 
1 1 1    6    4    0 o 418.3514 3.634883  2005.239 24.62193   1991.000 48.70000   2019.800 49.80000   416.8514 5.101377   419.8514   5.179328 -2.999939 7.269765 
1 1 1    6    4    1 o 729.9894 5.957812  6112.556 70.37771   6030.100 137.2000   6199.400 144.5000   724.9649 8.263743   735.0139   8.584441 -10.04901 11.91562 
1 1 1    6    4    2 o 222.2032 2.091411  565.1651 7.514950   577.5000 15.60000   553.7000 14.50000   224.5392 3.033696   219.8671   2.879701 4.672089 4.182821 
1 1 1    6    4    3 o 466.0613 4.021307  2490.695 30.34868   2467.300 60.30000   2514.400 61.10000   463.8593 5.676371   468.2633   5.697584 -4.403992 8.042615 
1 1 1    6    4    4 o 317.1360 3.005520  1151.689 15.38088   1133.800 29.20000   1171.600 32.50000   314.5480 4.053551   319.7241   4.438617 -5.176056 6.011040 
1 1 1    6    4    5 o 230.3718 2.225000  607.9928 8.298795   607.4000 16.40000   608.6000 16.80000   230.2594 3.110041   230.4841   3.182790 -0.2246704 4.450001 
1 1 1    6    4    6 o 108.9664 1.345919  135.9053 2.372632   139.0000 4.900000   133.0000 4.600000   110.1680 1.942139   107.7648   1.863892 2.403252 2.691839 
1 1 1    6    4    7 o 118.8906 1.402642  161.9000 2.700000   165.4000 5.400000   158.4000 5.400000   120.1761 1.962074   117.6052   2.004966 2.570938 2.805285 
1 1 1    6    4    8 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    6    4    9 o 97.49046 1.361869  108.8500 2.150000   109.4000 4.300000   108.3000 4.300000   97.73681 1.921100   97.24413   1.930834 0.4926834 2.723737 
1 1 1    6    4   10 o 143.8808 1.706474  237.1170 3.973585   238.0000 7.800000   236.2000 8.100000   144.1545 2.362686   143.6071   2.462912 0.5474548 3.412949 
1 1 1    6    4   11 o 489.8188 4.131887  2750.548 32.76812   2689.200 64.60000   2813.700 66.50000   484.2794 5.824736   495.3583   5.861947 -11.07895 8.263775 
1 1 1    6    4   12 o 383.6488 3.425040  1687.528 21.26839   1689.100 41.80000   1685.900 43.30000   383.8394 4.755174   383.4583   4.930711 0.3811646 6.850079 
1 1 1    6    4   13 o 203.5967 2.723784  474.9000 12.70000   474.9000 12.70000          ?        ?   203.5967 2.723784          ?          ?       ?       ? 
1 1 1    6    4   14 o 224.9586 2.510181  577.7178 8.102550   571.4000 12.60000   589.1000 22.70000   223.3171 2.463703   226.6002   4.374267 -3.283096 5.020363 
1 1 1    6    4   15 o 215.5248 2.589657  529.2113 7.743641   521.4000 11.70000   544.5000 22.90000   213.3035 2.395122   217.7461   4.592242 -4.442657 5.179314 
1 1 1    6    4   16 o 101.5367 1.802164  118.2621 2.775862   118.5000 4.600000   117.9000 7.000000   101.6908 1.975222   101.3826   3.014910 0.3081741 3.604328 
1 1 1    6    4   17 o 55.37617 2.425403  35.59639 1.915663   36.50000 3.000000   34.00000 5.300000   56.41217 2.322139   54.34018   4.258872 2.071999 4.850806 
1 1 1    6    4   18 o 60.71671 2.275948  43.56706 2.018823   47.10000 3.300000   38.00000 5.200000   64.05308 2.249643   57.38033   3.957127 6.672745 4.551895 
1 1 1    6    4   19 o 84.52238 1.554545  82.32857 2.057143   83.70000 3.600000   80.50000 4.800000   85.39056 1.840909   83.65421   2.505493 1.736343 3.109090 
1 1 1    6    4   20 o 87.47081 1.840283  88.17059 2.431372   87.70000 4.000000   88.90000 6.200000   87.31309 2.000416   87.62853   3.089483 -0.3154449 3.680567 
1 1 1    6    4   21 o 24.77130 4.307832  7.542857 1.714286   5.100000 3.000000   10.80000 4.000000   20.26367 6.023054   29.27893   6.160560 -9.015257 8.615664 
1 1 1    6    4   22 o 20.90190 3.974375  5.412903 1.548387   8.800000 3.000000   1.800000 3.200000   26.56163 5.117414   15.24217   6.082328 11.31946 7.948750 
1 1 1    6    4   23 o 30.26442 3.882764  12.25493 1.746479   14.70000 3.100000   9.100000 4.000000   34.87383 3.881519   25.65500   6.725863 9.218830 7.765528 
1 1 1    6    4   24 o 37.75773 3.973848  18.16703 2.043956   16.60000 3.100000   21.20000 6.000000   36.94711 3.663709   38.56834   7.052880 -1.621235 7.947696 
1 1 1    6    6    0 o 169.3646 1.786624  328.5500 4.900000   330.4000 9.800000   326.7000 9.800000   169.8416 2.519543   168.8877   2.533774 0.9539337 3.573249 
1 1 1    6    6    1 o 162.9933 1.733319  304.2792 4.574863   308.1000 9.200000   300.5000 9.100000   164.0110 2.449370   161.9755   2.453194 2.035553 3.466637 
1 1 1    6    6    2 o 477.3846 3.991408  2613.302 30.84190   2622.500 60.70000   2603.800 62.70000   478.2505 5.542083   476.5188   5.745492 1.731689 7.982817 
1 1 1    6    6    3 o 324.1142 3.963068  1204.416 20.79988   1218.600 41.70000   1190.300 41.50000   326.0195 5.585115   322.2088   5.624065 3.810699 7.926136 
1 1 1    6    6    4 o 131.1767 1.602161  197.1912 3.397059   194.0000 7.000000   200.2000 6.600000   130.1437 2.348629   132.2096   2.179820 -2.065887 3.204321 
1 1 1    6    6    5 o 240.2980 3.205565  661.0714 12.45691   682.3000 25.90000   641.4000 24.00000   244.0072 4.634862   236.5888   4.429521 7.418427 6.411131 
1 1 1    6    6    6 o 399.5734 3.411820  1830.074 22.07497   1851.000 44.10000   1809.100 44.20000   401.8633 4.791813   397.2836   4.858043 4.579742 6.823640 
1 1 1    6    6    7 o 410.4763 3.615094  1929.811 23.98543   1966.700 50.00000   1895.800 46.10000   414.2322 5.270669   406.7204   4.949310 7.511841 7.230188 
1 1 1    6    6    8 o 350.8347 3.093481  1410.396 17.57496   1413.400 35.20000   1407.400 35.10000   351.2077 4.376413   350.4616   4.373271 0.7460632 6.186961 
1 1 1    6    6    9 o 178.0141 1.876756  363.2592 5.388426   368.6000 10.30000   357.4000 11.30000   179.3905 2.507134   176.6378   2.793408 2.752625 3.753512 
1 1 1    6    6   10 o 171.1837 1.767906  335.7000 4.900000   342.7000 9.800000   328.7000 9.800000   172.9693 2.473983   169.3982   2.526138 3.571136 3.535812 
1 1 1    6    6   11 o 278.7394 2.792189  890.6881 12.59286   891.2000 25.80000   890.2000 24.60000   278.8100 4.040648   278.6688   3.854664 0.1412354 5.584377 
1 1 1    6    6   12 o 493.4280 4.258416  2798.263 34.02454   2781.000 68.30000   2815.400 67.80000   491.8993 6.062953   494.9568   5.981390 -3.057495 8.516832 
1 1 1    6    6   13 o 192.2003 1.960286  422.9213 6.085246   412.7000 11.60000   434.2000 12.80000   189.7666 2.669181   194.6340   2.871647 -4.867401 3.920572 
1 1 1    6    6   14 o 156.5103 1.916911  281.1567 4.845361   272.6000 10.00000   289.2000 9.400000   154.1887 2.831961   158.8320   2.584220 -4.643356 3.833823 
1 1 1    6    6   15 o 138.4115 1.932882  219.7237 4.307515   221.0000 9.200000   218.6000 8.100000   138.7729 2.894828   138.0501   2.562052 0.7228088 3.865765 
1 1 1    6    6   16 o 106.5601 1.710462  130.4000 2.950000   125.5000 5.900000   135.3000 5.900000   104.5522 2.464101   108.5680   2.372957 -4.015785 3.420923 
1 1 1    6    6   17 o 91.96973 1.677602  96.88499 2.491000   89.60000 4.700000   105.1000 5.300000   88.30959 2.323966   95.62988   2.420037 -7.320297 3.355204 
1 1 1    6    6   18 f 43.39554 2.742712  21.82727 1.916883   22.20000 4.100000   21.50000 3.600000   43.71059 4.095783   43.08049   3.648897 0.6301041 5.485425 
1 1 1    6    6   19 o 79.61891 2.169555  72.35701 2.355140   70.10000 3.500000   77.00000 7.200000   78.04321 1.958270   81.19462   3.872086 -3.151405 4.339109 
1 1 1    6    6   20 o 86.96229 1.691671  88.72043 2.279570   95.00000 4.000000   80.40000 5.300000   90.75723 1.924502   83.16735   2.782677 7.589874 3.383342 
1 1 1    6    6   21 f 27.34077 4.876000  9.725287 2.022989   9.100000 3.200000   10.80000 5.500000   26.78838 5.402517   27.89317   8.118764 -1.104792 9.752001 
1 1 1    6    6   22 o 27.77700 4.543221  11.22941 1.969412   13.60000 3.100000   7.100000 5.400000   33.35327 4.058475   22.20074   8.129711 11.15253 9.086442 
1 1 1    6    6   23 o 25.49129 4.381766  9.433766 1.688312   10.70000 2.500000   6.800000 5.200000   29.61247 3.686423   21.37012   7.950457 8.242350 8.763532 
1 1 1    6    8    0 o 65.94832 1.987808  51.02750 1.848750   54.00000 2.900000   45.80000 5.100000   68.66786 1.844099   63.22878   3.522047 5.439087 3.975615 
1 1 1    6    8    1 o 92.59399 1.601706  98.23542 2.398958   99.90000 4.700000   96.50000 4.900000   93.39605 2.197400   91.79193   2.330941 1.604118 3.203412 
1 1 1    6    8    2 o 204.3980 2.039372  478.5500 6.750000   483.1000 13.50000   474.0000 13.50000   205.3701 2.870360   203.4260   2.897791 1.944046 4.078744 
1 1 1    6    8    3 o 70.76155 1.549556  57.31408 1.771831   56.50000 3.400000   58.20000 3.700000   70.23762 2.113727   71.28549   2.266419 -1.047874 3.099113 
1 1 1    6    8    4 o 172.0872 1.795178  339.2270 4.995500   340.1000 9.700000   338.3000 10.30000   172.3171 2.458007   171.8573   2.617031 0.4597626 3.590355 
1 1 1    6    8    5 o 83.44627 1.483656  79.89750 1.998750   83.70000 3.900000   75.90000 4.100000   85.48753 1.992056   81.40501   2.199239 4.082527 2.967312 
1 1 1    6    8    6 o 380.0193 3.306853  1655.651 20.34988   1655.300 40.80000   1656.000 40.60000   379.9780 4.688581   380.0607   4.664582 -0.8267212E-01 6.613707 
1 1 1    6    8    7 f 202.7473 2.071190  470.8750 6.798529   486.4000 13.80000   455.8000 13.40000   206.0406 2.924596   199.4539   2.933608 6.586777 4.142381 
1 1 1    6    8    8 o 82.11169 1.579203  77.20596 2.098809   75.40000 4.100000   79.10000 4.300000   81.12878 2.206727   83.09461   2.259619 -1.965836 3.158405 
1 1 1    6    8    9 o 85.13017 1.686334  82.96774 2.322581   85.60000 4.800000   80.50000 4.500000   86.43661 2.424841   83.82372   2.344150 2.612900 3.372668 
1 1 1    6    8   10 o 132.9142 1.689594  202.6828 3.611034   206.2000 6.800000   198.7000 7.700000   134.1520 2.213357   131.6764   2.553421 2.475571 3.379188 
1 1 1    6    8   11 o 169.7258 1.910822  330.2314 5.245714   329.6000 10.20000   330.9000 10.80000   169.5644 2.626668   169.8873   2.775892 -0.3229218 3.821644 
1 1 1    6    8   12 o 66.41315 2.023719  50.60345 2.172414   50.70000 4.200000   50.50000 4.500000   66.48318 2.758527   66.34312   2.961804 0.1400528 4.047438 
1 1 1    6    8   13 o 111.9572 1.944861  143.9191 3.524823   141.2000 7.100000   146.6000 7.000000   110.9022 2.795491   113.0123   2.704657 -2.110100 3.889722 
1 1 1    6    8   14 o 25.68710 3.845502  7.950000 1.550000   8.400000 3.100000   7.500000 3.100000   26.44811 5.302677   24.92609   5.570742 1.522020 7.691004 
1 1 1    6    8   15 o 92.45658 1.652827  97.93939 2.462626   93.20000 4.600000   103.4000 5.300000   90.07134 2.230031   94.84182   2.440145 -4.770477 3.305654 
1 1 1    6    8   16 o 22.13760 4.448568  5.798507 1.591045   5.100000 2.600000   6.900000 4.100000   20.47565 5.448872   23.79954   7.033408 -3.323887 8.897136 
1 1 1    6    8   17 o 13.15366 3.908915 0.3842105 1.421053   1.000000 2.700000 -0.3000000 3.000000   13.59509 5.529241   12.71222   5.526841 0.8828735 7.817831 
1 1 1    6    8   18 o 21.36572 3.870676  5.569492 1.471186   2.200000 2.800000   9.300000 3.100000   15.30010 5.803717   27.43135   5.123026 -12.13124 7.741352 
1 1 1    6    8   19 o 46.66927 2.251551  25.55000 1.700000   26.80000 3.400000   24.30000 3.400000   47.83881 3.103403   45.49971   3.262947 2.339100 4.503103 
1 1 1    6    8   20 o 16.98206 3.914624  2.178873 1.673239   6.400000 2.700000  -4.700000 4.400000   22.09444 5.385112   11.86968   5.683106 10.22476 7.829248 
1 1 1    6    8   21 f 21.79879 5.097659  6.840000 2.122353   5.200000 4.100000   8.600000 4.400000   19.49771 7.092356   24.09988   7.324138 -4.602171 10.19532 
1 1 1    6    8   22 o 20.31460 4.852188  5.757447 2.297872   9.800000 4.000000  0.3000000 5.400000   25.37519 6.761241   15.25402   6.961359 10.12117 9.704375 
1 1 1    6   10    0 o 291.4759 2.801479  973.6008 13.21134   1007.300 27.30000   942.0000 25.60000   296.3522 4.022483   286.5995   3.900356 9.752655 5.602958 
1 1 1    6   10    1 o 121.1644 1.644607  168.2442 3.223256   170.1000 6.300000   166.3000 6.600000   121.8506 2.257630   120.4781   2.392079 1.372459 3.289215 
1 1 1    6   10    2 f 143.2296 1.739412  234.8199 3.998758   232.2000 7.400000   237.9000 8.700000   142.3673 2.269661   144.0919   2.636448 -1.724594 3.478825 
1 1 1    6   10    3 f 196.9275 2.030912  444.4212 6.472587   443.3000 13.20000   445.5000 12.70000   196.6807 2.930568   197.1743   2.812504 -0.4935913 4.061823 
1 1 1    6   10    4 o 197.0837 2.029220  445.2807 6.474904   453.2000 12.90000   437.3000 13.00000   198.8458 2.832780   195.3215   2.906250 3.524323 4.058440 
1 1 1    6   10    5 o 76.71646 1.880324  67.66666 2.318280   64.40000 4.900000   70.60000 4.400000   74.94759 2.854816   78.48534   2.447957 -3.537758 3.760648 
1 1 1    6   10    6 f 12.01010 3.963227 -4.075325 1.924675  -2.100000 3.900000  -6.000000 3.800000   13.32220 6.014508   10.69799   5.162786 2.624203 7.926454 
1 1 1    6   10    7 o 115.0943 1.662250  151.3500 3.087097   162.9000 6.600000   141.2000 5.800000   119.2022 2.417684   110.9863   2.281909 8.215851 3.324500 
1 1 1    6   10    8 o 27.03789 3.893986  9.168181 1.625758   12.20000 2.900000   5.300000 3.700000   32.57682 3.887130   21.49896   6.748536 11.07786 7.787972 
1 1 1    6   10    9 o 50.57969 2.229807  29.41096 1.824658   30.20000 3.600000   28.60000 3.700000   51.27271 3.065886   49.88668   3.238596 1.386028 4.459615 
1 1 1    6   10   10 o 61.85041 2.155543  43.87209 2.120930   42.90000 3.800000   45.10000 4.800000   61.10452 2.715501   62.59631   3.348361 -1.491791 4.311086 
1 1 1    6   10   11 o 76.21858 1.696913  66.78313 2.038554   67.00000 3.600000   66.50000 4.700000   76.39608 2.057648   76.04108   2.698915 0.3549957 3.393827 
1 1 1    6   10   12 o 81.52779 1.792027  76.12766 2.297872   74.00000 4.000000   79.00000 5.400000   80.24674 2.176568   82.80882   2.847455 -2.562080 3.584055 
1 1 1    6   10   13 o 32.88269 3.380767  12.64583 1.798611   12.80000 3.700000   12.50000 3.500000   33.06209 4.886649   32.70328   4.673222 0.3588104 6.761533 
1 1 1    6   10   14 f 51.31813 2.150176  30.63521 1.774648   26.10000 3.500000   35.30000 3.600000   47.41294 3.223376   55.22333   2.846555 -7.810394 4.300352 
1 1 1    6   10   15 o 20.94511 4.677585  5.439436 1.771831   5.200000 3.400000   5.700000 3.700000   20.50509 6.473747   21.38513   6.753501 -0.8800430 9.355169 
1 1 1    6   10   16 o 35.46487 3.449567  15.37895 1.894737   19.80000 4.000000   11.40000 3.600000   40.73888 4.287367   30.19086   5.405233 10.54801 6.899135 
1 1 1    6   10   17 o 13.03247 3.999082     -0.04 1.606154  -1.700000 3.600000   1.300000 2.900000   12.23917 5.622110   13.82577   5.688807 -1.586597 7.998165 
1 1 1    6   10   18 o 28.85319 4.072647  11.24324 1.837838   10.00000 4.000000   12.30000 3.400000   26.53114 6.608113   31.17525   4.762211 -4.644115 8.145294 
1 1 1    6   10   19 o 31.21545 3.956707  12.97692 1.938461   12.70000 3.600000   13.30000 4.200000   31.42007 5.003052   31.01084   6.131197 0.4092369 7.913414 
1 1 1    6   12    0 o 68.26697 2.074077  53.80769 2.261539   56.30000 4.200000   50.90000 4.900000   70.01360 2.619429   66.52033   3.216484 3.493263 4.148153 
1 1 1    6   12    1 o 117.9145 1.795060  159.4372 3.410219   163.7000 7.300000   155.7000 6.400000   119.3731 2.670275   116.4559   2.399707 2.917213 3.590120 
1 1 1    6   12    2 o 53.48076 2.583093  33.08876 2.224719   36.50000 4.400000   29.60000 4.500000   56.30141 3.412504   50.66012   3.878699 5.641289 5.166187 
1 1 1    6   12    3 o 13.09452 4.246236 -2.860976 2.045122  -2.100000 3.900000  -3.700000 4.300000   13.23130 5.990216   12.95775   6.019916 0.2735472 8.492472 
1 1 1    6   12    4 o 22.42755 4.141906  5.747059 1.694118   1.700000 3.200000   10.30000 3.600000   15.59371 6.126413   29.26140   5.575715 -13.66769 8.283812 
1 1 1    6   12    5 f 48.75506 2.554840  27.60000 2.000000   31.70000 4.000000   23.50000 4.000000   52.42707 3.331533   45.08305   3.874239 7.344021 5.109681 
1 1 1    6   12    6 o 51.97282 2.571348  31.58333 2.023810   33.00000 3.400000   29.50000 5.000000   53.53326 2.773288   50.41238   4.330843 3.120884 5.142697 
1 1 1    6   12    7 o 22.27273 4.759673  5.961333 1.874667   6.800000 3.700000   5.100000 3.800000   23.56990 6.595134   20.97556   6.864556 2.594343 9.519345 
1 1 1    6   12    8 o 82.98111 1.665075  79.33034 2.202247   79.00000 4.900000   79.60000 4.000000   82.77564 2.584837   83.18658   2.099648 -0.4109344 3.330151 
1 1 1    6   12    9 o 14.22469 4.228766 -0.3112676 1.774648  -3.100000 3.600000   2.400000 3.500000   11.72402 5.467169   16.72536   6.452901 -5.001341 8.457533 
1 1 1    6   12   10 o 12.69961 3.852108      0.02 1.421053  0.4000000 2.700000 -0.4000000 3.000000   12.81721 5.397566   12.58201   5.497384 0.2351952 7.704216 
1 1 1    6   12   11 o 23.39029 4.542509  7.004225 1.774648   6.700000 3.600000   7.300000 3.500000   22.89078 6.540839   23.88981   6.305155 -0.9990292 9.085018 
1 1 1    6   12   12 o 29.07240 4.730493  10.79091 2.159091   8.200000 3.800000   14.20000 5.000000   25.10786 6.542606   33.03695   6.834072 -7.929096 9.460985 
1 1 1    6   12   13 o 23.65572 4.348108  7.468116 1.724638   5.300000 3.400000   9.700000 3.500000   20.07964 6.488100   27.23179   5.790400 -7.152157 8.696216 
1 1 1    6   12   14 o 17.08591 4.335265  3.554098 1.504918   3.200000 2.700000   4.000000 3.400000   16.25858 5.775068   17.91323   6.467356 -1.654659 8.670530 
1 1 1    6   12   15 o 13.15218 3.987800 0.5354839 1.548387   1.600000 3.000000 -0.6000000 3.200000   14.11685 5.794679   12.18751   5.480135 1.929337 7.975600 
1 1 1    6   12   16 o 10.21916 3.528176 -5.746666 1.866667  -2.600000 4.000000  -8.500000 3.500000   11.95913 5.635744   8.479193   4.246234 3.479939 7.056352 
1 1 1    6   14    0 o 18.15819 4.753770  3.297297 1.740541   2.200000 2.800000   5.100000 4.600000   15.31390 5.804976   21.00247   7.529646 -5.688564 9.507540 
1 1 1    6   14    1 o 36.60836 3.087409  15.92740 1.824658   17.60000 3.700000   14.30000 3.600000   38.55812 4.190112   34.65859   4.535564 3.899529 6.174818 
1 1 1    6   14    2 o 14.69088 4.555937 -0.3301205 2.067470 -0.8000000 3.900000  0.2000000 4.400000   13.85255 6.151107   15.52920   6.722362 -1.676649 9.111875 
1 1 1    6   14    3 o 25.28759 4.038048  8.240298 1.665672   10.60000 3.100000   5.500000 3.600000   29.72618 4.553678   20.84900   6.669883 8.877172 8.076096 
1 1 1    6   14    4 o 44.48630 3.210519  23.77174 2.282609   24.00000 4.200000   23.50000 5.000000   44.91579 4.083099   44.05680   4.955606 0.8589973 6.421038 
1 1 1    6   14    5 o 53.88670 2.619861  34.34615 2.261539   33.70000 4.900000   34.90000 4.200000   53.27093 4.016479   54.50246   3.364905 -1.231537 5.239723 
1 1 1    6   14    6 o 12.25843 3.977839 -1.900000 1.800000  -2.500000 3.600000  -1.300000 3.600000   11.82390 5.498145   12.69295   5.750063 -0.8690500 7.955679 
1 1 1    6   14    7 o 20.48678 4.657630  4.392683 1.990244 -0.5000000 3.400000   11.30000 4.800000   12.80386 5.710727   28.16970   7.359462 -15.36585 9.315261 
1 1 1    6   14    8 o 19.47612 4.770269  4.956757 1.816216   5.000000 3.200000   4.900000 4.200000   19.41227 6.296670   19.53996   7.167553 -0.1276913 9.540539 
1 1 1    6   14    9 o 31.93033 3.674172  13.13553 1.898684   12.60000 3.700000   13.70000 3.900000   31.28397 5.164396   32.57668   5.227540 -1.292711 7.348345 
1 1 1    6   14   10 o 30.83924 4.105281  12.72000 1.995000   13.10000 3.800000   12.30000 4.200000   31.90802 5.200241   29.77046   6.353804 2.137562 8.210563 
1 1 1    6   14   11 o 10.41048 3.545579 -4.026761 1.771831  -3.500000 3.400000  -4.600000 3.700000   10.41988 4.990741   10.40108   5.037561 0.1880360E-01 7.091158 
1 1 1    6   16    0 o 12.61572 3.890488     -0.01 1.418333   3.200000 3.700000  -2.000000 2.300000   16.24625 6.520213   8.985178   4.246223 7.261076 7.780976 
1 1 1    6   16    1 o 13.14771 4.134153      0.02 1.801351   1.400000 3.100000  -1.900000 4.300000   13.63573 5.765117   12.65968   5.926915 0.9760475 8.268306 
1 1 1    7    1    0 o 250.0739 2.222711  716.3389 8.998889   712.8000 18.20000   719.8000 17.80000   249.4620 3.185713   250.6859   3.100486 -1.223877 4.445423 
1 1 1    7    1    1 o 545.6965 5.638755  3303.579 44.74117   3838.200 127.6000   3014.900 68.90000   578.4410 9.632329   512.9520   5.865191 65.48895 11.27751 
1 1 1    7    1    2 o 305.6625 3.032541  1069.874 13.76096   1069.000 22.20000   1071.300 36.20000   305.5190 3.172886   305.8061   5.168947 -0.2871704 6.065082 
1 1 1    7    1    3 o 84.96735 1.139971  83.23871 1.535484   87.80000 2.800000   77.70000 3.400000   87.56313 1.396293   82.37156   1.802359 5.191566 2.279941 
1 1 1    7    1    4 o 344.5840 3.051187  1360.137 17.02467   1351.800 34.20000   1368.400 33.90000   343.5317 4.347094   345.6362   4.282725 -2.104553 6.102373 
1 1 1    7    1    5 o 334.9999 2.967897  1285.747 16.09984   1268.700 32.10000   1302.900 32.30000   332.7716 4.212098   337.2283   4.182330 -4.456696 5.935794 
1 1 1    7    1    6 o 400.0426 3.365143  1834.344 21.79954   1822.300 43.40000   1846.500 43.80000   398.7238 4.752885   401.3615   4.765167 -2.637726 6.730285 
1 1 1    7    1    7 o 245.9154 2.397799  692.3228 9.540576   716.2000 19.70000   669.9000 18.50000   250.0217 3.440553   241.8091   3.340710 8.212570 4.795597 
1 1 1    7    1    8 o 319.3431 2.866899  1168.509 14.82159   1174.600 30.10000   1162.600 29.20000   320.1599 4.105246   318.5262   4.002924 1.633728 5.733799 
1 1 1    7    1    9 o 488.0390 4.043313  2730.882 31.93873   2734.600 65.10000   2727.300 62.70000   488.3535 5.820850   487.7245   5.613486 0.6289368 8.086626 
1 1 1    7    1   10 o 181.7753 1.851472  378.4500 5.450000   377.6000 10.90000   379.3000 10.90000   181.5712 2.621316   181.9795   2.615433 -0.4083710 3.702943 
1 1 1    7    1   11 o 600.1309 4.902838  4129.136 47.63300   4221.600 97.10000   4040.100 93.50000   606.7166 6.988325   593.5453   6.878559 13.17126 9.805676 
1 1 1    7    1   12 o 148.5203 1.685769  252.4247 4.034568   249.0000 7.600000   256.3000 8.600000   147.4492 2.250665   149.5915   2.510333 -2.142258 3.371538 
1 1 1    7    1   13 o 299.2766 2.702986  1026.260 13.09828   1043.000 26.50000   1009.900 25.90000   301.6887 3.835540   296.8646   3.809615 4.824158 5.405972 
1 1 1    7    1   14 o 65.85675 1.644304  49.75428 1.748571   51.60000 3.400000   47.80000 3.600000   67.11725 2.211997   64.59626   2.433520 2.520988 3.288609 
1 1 1    7    1   15 o 65.38211 1.867326  49.02279 1.974684   47.20000 4.000000   50.80000 3.900000   64.17941 2.721473   66.58482   2.557579 -2.405418 3.734652 
1 1 1    7    1   16 o 112.5939 1.535258  144.9777 2.791964   138.4000 5.300000   152.3000 5.900000   109.9028 2.105750   115.2849   2.234700 -5.382103 3.070515 
1 1 1    7    1   17 o 145.8040 1.810861  243.7018 4.273684   232.6000 8.400000   255.2000 8.700000   142.4235 2.575356   149.1846   2.546449 -6.761108 3.621721 
1 1 1    7    1   18 o 66.36096 1.871479  50.75000 1.995000   53.60000 3.800000   47.60000 4.200000   68.34342 2.427876   64.37850   2.848709 3.964920 3.742957 
1 1 1    7    1   19 o 69.36147 1.813402  55.27778 2.000000   55.50000 4.500000   55.10000 3.600000   69.45826 2.828970   69.26466   2.269501 0.1935959 3.626804 
1 1 1    7    1   20 o 68.07730 1.818770  52.87250 1.955000   57.30000 4.600000   49.60000 3.400000   70.48742 2.849613   65.66718   2.260842 4.820236 3.637541 
1 1 1    7    1   21 o 18.46432 4.102442  3.913793 1.448276   5.700000 2.800000   2.000000 3.000000   21.46850 5.626757   15.46013   5.971577 6.008373 8.204884 
1 1 1    7    1   22 f 16.25996 4.409004  1.131081 1.844595   5.400000 3.900000  -2.700000 3.500000   20.88392 6.960105   11.63600   5.414259 9.247921 8.818007 
1 1 1    7    1   23 o 30.84956 3.577076  11.92286 1.748571   11.00000 3.400000   12.90000 3.600000   29.36336 5.248707   32.33576   4.861375 -2.972404 7.154152 
1 1 1    7    1   24 o 24.96315 4.251866  8.600000 1.700000   9.100000 3.400000   8.100000 3.400000   25.79503 5.885512   24.13127   6.137932 1.663763 8.503732 
1 1 1    7    1   25 o 17.85547 3.838960  3.624590 1.524590 -0.9000000 3.000000   8.300000 3.100000   11.35112 5.183509   24.35983   5.664071 -13.00871 7.677920 
1 1 1    7    3    0 o 186.5683 1.754639  398.4179 5.292453   392.5000 10.20000   404.8000 11.00000   185.1299 2.405821   188.0067   2.554812 -2.876831 3.509279 
1 1 1    7    3    1 o 388.9526 3.413310  1732.535 21.49058   1767.400 43.90000   1699.100 42.10000   392.7828 4.880359   385.1224   4.773347 7.660370 6.826621 
1 1 1    7    3    2 f 662.7020 5.418524  5034.352 58.14570   5086.900 117.3000   4982.700 115.3000   666.1283 7.689177   659.2758   7.636633 6.852539 10.83705 
1 1 1    7    3    3 o 379.7973 3.243755  1652.753 19.94987   1651.400 40.00000   1654.100 39.80000   379.6415 4.600722   379.9531   4.573965 -0.3116150 6.487511 
1 1 1    7    3    4 o 122.6748 1.409678  172.3473 2.799107   172.2000 5.500000   172.5000 5.700000   122.6217 1.958551   122.7278   2.028017 -0.1060715 2.819357 
1 1 1    7    3    5 o 160.3070 1.752987  294.3714 4.549450   296.3000 9.000000   292.4000 9.200000   160.8386 2.443385   159.7753   2.514304 1.063324 3.505974 
1 1 1    7    3    6 o 404.3972 3.581106  1875.062 23.44734   1876.200 46.40000   1873.900 47.40000   404.5270 5.008529   404.2674   5.119757 0.2596130 7.162212 
1 1 1    7    3    7 o 103.7609 1.851650  123.3000 4.400000   123.3000 4.400000          ?        ?   103.7609 1.851650          ?          ?       ?       ? 
1 1 1    7    3    8 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    7    3    9 o 417.9785 4.308571  1998.213 27.93194   1974.000 47.60000   2032.600 67.60000   415.0126 5.008242   420.9443   7.012321 -5.931641 8.617142 
1 1 1    7    3   10 o 594.4581 5.653478  4021.670 48.30328   3937.700 75.00000   4173.600 135.7000   586.1231 5.587430   602.7931   9.829948 -16.66998 11.30696 
1 1 1    7    3   11 o 471.3437 4.567132  2529.423 30.94944   2482.500 48.10000   2614.100 86.80000   465.4428 4.512513   477.2446   7.941790 -11.80185 9.134265 
1 1 1    7    3   12 o 301.4740 3.056964  1046.174 13.53899   1059.600 21.70000   1023.900 36.00000   304.1243 3.115648   298.8238   5.260500 5.300476 6.113929 
1 1 1    7    3   13 o 280.7807 2.958394  907.1422 12.33716   918.1000 20.00000   889.5000 32.20000   283.0732 3.085112   278.4882   5.048808 4.585022 5.916788 
1 1 1    7    3   14 f 162.8839 2.012088  303.2576 4.728781   301.2000 7.400000   306.9000 13.10000   162.1537 1.992712   163.6140   3.496154 -1.460266 4.024176 
1 1 1    7    3   15 o 309.8457 3.252188  1090.429 14.35975   1062.900 22.10000   1141.500 41.00000   304.5057 3.169105   315.1858   5.680112 -10.68011 6.504375 
1 1 1    7    3   16 o 136.2183 1.734963  212.2520 3.579334   210.6000 5.900000   214.8000 9.100000   135.5743 1.900265   136.8622   2.903339 -1.287827 3.469926 
1 1 1    7    3   17 o 99.71468 1.995743  116.6766 3.002419   127.0000 5.100000   101.9000 7.300000   105.2474 2.115917   94.18198   3.384501 11.06538 3.991485 
1 1 1    7    3   18 o 73.41918 2.056810  61.28947 2.183158   59.50000 3.400000   64.50000 6.100000   72.01176 2.061651   74.82660   3.559701 -2.814835 4.113621 
1 1 1    7    3   19 o 80.72020 1.755689  75.55843 2.123595   77.80000 3.500000   72.10000 5.400000   82.33054 1.856294   79.10986   2.980595 3.220688 3.511378 
1 1 1    7    3   20 o 38.03507 2.601486  15.90625 1.443750   13.50000 2.200000   20.50000 4.200000   34.19048 2.809682   41.87967   4.379109 -7.689186 5.202971 
1 1 1    7    3   21 o 12.65528 4.067392 -1.130556 1.565278 -0.3000000 2.300000  -2.900000 4.900000   11.06308 4.824143   14.24747   6.549988 -3.184391 8.134784 
1 1 1    7    3   22 o 36.44543 3.494314  15.58000 1.788750   14.50000 2.700000   17.70000 5.300000   35.14196 3.354884   37.74891   6.130716 -2.606945 6.988628 
1 1 1    7    3   23 o 25.18897 4.447625  8.784616 1.765385   10.10000 2.700000   6.300000 5.100000   28.82711 4.089803   21.55083   7.899303 7.276285 8.895250 
1 1 1    7    3   24 o 34.92426 3.956927  15.26786 1.832143   13.50000 2.700000   19.00000 5.700000   33.39370 3.530522   36.45481   7.082691 -3.061108 7.913854 
1 1 1    7    5    0 o 251.9822 2.383480  727.3879 9.721850   724.0000 19.10000   730.9000 19.80000   251.3868 3.317651   252.5777   3.423024 -1.190872 4.766959 
1 1 1    7    5    1 o 242.0641 2.327906  671.3068 9.124931   668.8000 18.30000   673.8000 18.20000   241.6128 3.307278   242.5154   3.276964 -0.9026031 4.655812 
1 1 1    7    5    2 o 486.6644 4.088987  2716.384 32.22172   2695.200 63.80000   2738.000 65.10000   484.7526 5.746987   488.5763   5.818195 -3.823669 8.177974 
1 1 1    7    5    3 o 372.1219 3.231775  1587.090 19.47343   1605.100 39.30000   1569.400 38.60000   374.2132 4.585779   370.0307   4.555009 4.182465 6.463550 
1 1 1    7    5    4 o 427.4269 3.698525  2094.024 25.59023   2065.100 50.20000   2124.100 52.20000   424.4233 5.164690   430.4305   5.295502 -6.007202 7.397051 
1 1 1    7    5    5 o 542.6157 4.529592  3376.966 39.79943   3426.100 79.90000   3328.200 79.30000   546.5515 6.383450   538.6799   6.428092 7.871521 9.059183 
1 1 1    7    5    6 o 218.4744 2.162739  546.4794 7.638235   537.4000 14.70000   556.3000 15.90000   216.5897 2.963597   220.3591   3.150691 -3.769409 4.325478 
1 1 1    7    5    7 o 422.8124 4.434835  2047.867 29.34584   2033.300 50.90000   2067.700 69.30000   421.1421 5.277507   424.4827   7.128744 -3.340607 8.869671 
1 1 1    7    5    8 o 417.7272 3.633283  1998.620 24.54385   2037.300 50.90000   1962.600 47.40000   421.6189 5.271539   413.8354   5.001386 7.783478 7.266566 
1 1 1    7    5    9 o 175.5406 1.804238  353.0781 5.121951   347.7000 10.50000   358.2000 10.00000   174.2336 2.631462   176.8475   2.469111 -2.613907 3.608476 
1 1 1    7    5   10 o 170.4055 1.785972  332.7695 4.923858   340.5000 9.700000   324.8000 10.00000   172.4178 2.456572   168.3931   2.593076 4.024612 3.571945 
1 1 1    7    5   11 o 203.3181 2.087741  473.1087 6.867636   496.5000 14.20000   451.2000 13.30000   208.1793 2.978452   198.4569   2.926343 9.722397 4.175483 
1 1 1    7    5   12 o 218.7401 2.251664  548.3721 7.974922   555.4000 15.90000   541.3000 16.00000   220.1480 3.153712   217.3322   3.214664 2.815796 4.503328 
1 1 1    7    5   13 o 330.9995 2.947728  1256.303 15.79225   1274.600 32.30000   1238.800 30.90000   333.3486 4.231006   328.6503   4.105482 4.698273 5.895455 
1 1 1    7    5   14 o 201.9988 2.094829  467.9723 6.849635   477.8000 13.60000   458.0000 13.80000   204.1408 2.909034   199.8568   3.015088 4.284027 4.189658 
1 1 1    7    5   15 o 75.73009 1.795155  65.73750 2.198864   60.90000 4.300000   70.80000 4.500000   72.87822 2.576383   78.58196   2.500514 -5.703743 3.590309 
1 1 1    7    5   16 o 76.35662 1.973967  67.44000 2.280000   69.40000 3.800000   64.50000 5.700000   77.79403 2.132932   74.91921   3.322166 2.874817 3.947935 
1 1 1    7    5   17 o 59.82953 1.618272  41.03548 1.509677   40.70000 2.600000   41.50000 3.600000   59.56301 1.906060   60.09605   2.615750 -0.5330429 3.236543 
1 1 1    7    5   18 o 143.9422 2.243116  239.1900 4.476382   239.6000 6.800000   238.4000 13.10000   144.4292 2.055860   143.4552   3.987444 0.9739990 4.486231 
1 1 1    7    5   19 o 18.41934 4.622632  3.505714 1.577143   3.300000 2.400000   3.900000 4.600000   16.87838 5.450821   19.96030   7.467494 -3.081919 9.245264 
1 1 1    7    5   20 o 50.52317 2.353791  29.35200 1.728000   28.20000 2.700000   31.40000 4.800000   49.39008 2.387062   51.65625   4.057496 -2.266174 4.707583 
1 1 1    7    5   21 o 58.84466 2.471998  38.43548 2.032258   33.50000 3.000000   48.80000 6.300000   53.72938 2.438087   63.95994   4.301028 -10.23056 4.943997 
1 1 1    7    5   22 o 16.94520 4.470819  2.665217 1.643478  0.2000000 2.700000   6.500000 4.200000   12.19080 5.271595   21.69961   7.222407 -9.508806 8.941637 
1 1 1    7    5   23 o 33.21754 3.989550  13.53494 1.821687   10.90000 2.700000   19.00000 5.600000   29.80660 3.955406   36.62848   6.929705 -6.821878 7.979101 
1 1 1    7    7    0 o 165.9422 1.767644  315.3116 4.747895   311.2000 9.300000   319.6000 9.700000   164.8378 2.463575   167.0466   2.535559 -2.208771 3.535288 
1 1 1    7    7    1 o 146.3138 2.259616  244.6869 5.320093   253.5000 11.50000   237.1000 9.900000   148.7566 3.375680   143.8710   3.004703 4.885590 4.519231 
1 1 1    7    7    2 o 442.0719 3.827521  2240.609 27.39964   2215.900 54.60000   2265.500 55.00000   439.6244 5.423137   444.5195   5.402709 -4.895142 7.655043 
1 1 1    7    7    3 o 177.7418 1.884378  361.3654 5.415668   377.3000 11.30000   346.7000 10.40000   181.4988 2.718595   173.9849   2.610126 7.513901 3.768755 
1 1 1    7    7    4 o 143.7894 1.594683  237.2581 3.689189   244.4000 7.000000   229.3000 7.800000   146.0836 2.092360   141.4953   2.407091 4.588333 3.189366 
1 1 1    7    7    5 o 152.6266 1.700863  266.7381 4.190476   268.1000 8.800000   265.5000 8.000000   152.9969 2.511538   152.2562   2.294324 0.7407532 3.401727 
1 1 1    7    7    6 o 439.7188 3.796223  2217.040 27.02220   2245.200 53.50000   2188.300 54.60000   442.5493 5.278759   436.8883   5.457100 5.661041 7.592446 
1 1 1    7    7    7 o 361.0489 3.202870  1494.231 18.72336   1490.900 37.80000   1497.500 37.10000   360.6463 4.576674   361.4514   4.481915 -0.8051147 6.405740 
1 1 1    7    7    8 o 274.7705 2.573276  864.9096 11.44454   878.5000 23.40000   851.9000 22.40000   276.8797 3.690324   272.6613   3.587271 4.218323 5.146553 
1 1 1    7    7    9 o 104.5187 1.491430  124.9079 2.518812   119.3000 4.800000   131.1000 5.300000   102.0555 2.053735   106.9818   2.163244 -4.926331 2.982860 
1 1 1    7    7   10 o 71.31822 1.623312  58.18000 1.872000   62.60000 3.900000   54.10000 3.600000   73.91882 2.303824   68.71762   2.287568 5.201202 3.246625 
1 1 1    7    7   11 o 151.8670 1.657098  264.1166 4.071166   268.6000 8.400000   259.9000 7.900000   153.1153 2.395523   150.6187   2.290276 2.496552 3.314196 
1 1 1    7    7   12 o 81.84788 1.716213  76.71758 2.272527   79.30000 4.700000   74.30000 4.400000   83.17913 2.467307   80.51662   2.386200 2.662506 3.432427 
1 1 1    7    7   13 o 65.43245 2.007549  49.96145 2.050602   55.40000 3.700000   43.20000 4.600000   69.51527 2.324135   61.34963   3.274052 8.165634 4.015099 
1 1 1    7    7   14 o 152.1670 1.786163  265.3210 4.385796   258.2000 8.300000   273.3000 9.300000   150.0187 2.415864   154.3154   2.631561 -4.296692 3.572326 
1 1 1    7    7   15 o 114.0799 1.650698  149.2836 3.046721   142.9000 5.900000   156.1000 6.300000   111.5639 2.309236   116.5960   2.359374 -5.032112 3.301396 
1 1 1    7    7   16 o 51.62579 2.130445  30.78310 1.774648   28.40000 3.600000   33.10000 3.500000   49.63371 3.167127   53.61788   2.850349 -3.984169 4.260890 
1 1 1    7    7   17 o 14.40985 4.216973 0.1142857 1.714286   2.300000 3.000000  -2.800000 4.000000   15.98858 6.020928   12.83112   5.905917 3.157464 8.433946 
1 1 1    7    7   18 o 82.21134 1.992783  78.08774 2.634906   76.10000 4.900000   80.40000 5.700000   81.13677 2.637048   83.28591   2.988429 -2.149139 3.985566 
1 1 1    7    7   19 o 38.60580 2.761410  17.65652 1.724638   18.10000 3.400000   17.20000 3.500000   39.13381 3.793731   38.07779   4.013618 1.056023 5.522819 
1 1 1    7    7   20 o 34.96123 2.910728  14.51212 1.612121   12.90000 2.800000   16.70000 3.800000   32.86707 3.719947   37.05539   4.477874 -4.188320 5.821457 
1 1 1    7    7   21 o 41.25565 2.657534  20.63521 1.766197   17.80000 3.300000   23.90000 3.800000   38.21359 3.770820   44.29770   3.745779 -6.084103 5.315067 
1 1 1    7    7   22 o 15.75312 4.626366  2.251852 1.688889   2.400000 2.400000   1.900000 5.700000   14.42407 5.394358   17.08216   7.517576 -2.658087 9.252732 
1 1 1    7    9    0 o 468.7098 3.870235  2519.763 29.37498   2535.500 58.70000   2504.000 58.80000   470.1778 5.451497   467.2419   5.495096 2.935852 7.740471 
1 1 1    7    9    1 o 205.1786 2.084131  482.1364 6.922744   497.0000 14.10000   467.8000 13.60000   208.2840 2.955990   202.0733   2.938797 6.210648 4.168262 
1 1 1    7    9    2 o 242.7415 2.441895  674.5942 9.587239   653.3000 18.50000   697.5000 19.90000   238.7727 3.383193   246.7103   3.522131 -7.937607 4.883790 
1 1 1    7    9    3 o 42.39622 2.894417  20.73974 1.944872   27.10000 4.100000   15.00000 3.700000   48.62485 3.681844   36.16759   4.467061 12.45726 5.788834 
1 1 1    7    9    4 o 240.3344 2.363716  661.4063 9.186685   681.7000 19.10000   642.6000 17.70000   243.8780 3.419798   236.7909   3.263984 7.087143 4.727432 
1 1 1    7    9    5 o 151.9058 1.750116  264.6000 4.300000   249.7000 8.600000   279.5000 8.600000   147.6227 2.543812   156.1888   2.404298 -8.566055 3.500232 
1 1 1    7    9    6 f 106.0322 1.587436  128.7835 2.722936   129.4000 5.600000   128.2000 5.300000   106.2778 2.300832   105.7865   2.187689 0.4913864 3.174872 
1 1 1    7    9    7 o 144.9956 1.768532  240.8892 4.144578   240.6000 8.000000   241.2000 8.600000   144.9089 2.410653   145.0824   2.588352 -0.1735382 3.537063 
1 1 1    7    9    8 o 260.4363 2.502778  778.3953 10.54621   788.5000 20.70000   767.9000 21.50000   262.1728 3.447645   258.6998   3.628959 3.472931 5.005557 
1 1 1    7    9    9 o 58.34127 1.878895  38.95634 1.771831   42.50000 3.700000   35.70000 3.400000   60.88276 2.653671   55.79978   2.660640 5.082981 3.757789 
1 1 1    7    9   10 o 101.7005 1.658228  118.6128 2.713762   118.8000 5.100000   118.4000 5.800000   101.7955 2.187667   101.6055   2.492587 0.1899643 3.316456 
1 1 1    7    9   11 o 74.16859 1.976810  62.82842 2.353684   58.80000 4.300000   67.70000 5.200000   71.56893 2.623516   76.76825   2.957749 -5.199318 3.953620 
1 1 1    7    9   12 o 86.84474 1.652727  86.41613 2.318280   82.30000 4.400000   91.00000 4.900000   84.67022 2.269142   89.01926   2.403543 -4.349037 3.305454 
1 1 1    7    9   13 o 24.51397 4.041915  7.300000 1.574603   7.300000 3.100000   7.300000 3.200000   24.52274 5.637821   24.50519   5.793384 0.1754951E-01 8.083831 
1 1 1    7    9   14 o 57.27914 2.259835  37.49643 2.070238   33.40000 3.700000   42.70000 4.700000   53.79562 3.003271   60.76267   3.377542 -6.967045 4.519670 
1 1 1    7    9   15 o 22.07862 3.860491  5.500000 1.648485   10.60000 3.400000  0.7000000 3.200000   29.95822 4.955673   14.19902   5.920715 15.75919 7.720982 
1 1 1    7    9   16 o 43.24007 2.249279  21.70476 1.565079   23.00000 3.400000   20.60000 2.900000   44.39207 3.344361   42.08807   3.008699 2.304005 4.498558 
1 1 1    7    9   17 o 42.93458 2.821232  21.82308 1.917949   21.30000 3.400000   22.50000 4.400000   42.52710 3.491024   43.34206   4.432848 -0.8149643 5.642463 
1 1 1    7    9   18 f 25.19279 4.407626  8.737838 1.828378   6.300000 4.100000   10.70000 3.300000   21.48888 7.135128   28.89670   5.176739 -7.407824 8.815252 
1 1 1    7    9   19 f 14.95656 4.356076  1.647887 1.757746   3.000000 3.200000   0.000000 3.900000   16.11176 6.182109   13.80136   6.138659 2.310403 8.712152 
1 1 1    7    9   20 o 16.33847 4.802890  2.179070 2.139535 -0.1000000 4.000000   4.800000 4.600000   13.75382 6.159920   18.92311   7.370645 -5.169292 9.605781 
1 1 1    7   11    0 o 78.16791 1.921065  70.20206 2.422680   66.80000 5.000000   73.40000 4.700000   76.32121 2.860649   80.01460   2.564887 -3.693398 3.842129 
1 1 1    7   11    1 o 49.12326 2.527553  27.68750 1.995000   33.20000 4.200000   22.70000 3.800000   53.78380 3.409867   44.46273   3.731876 9.321068 5.055105 
1 1 1    7   11    2 o 61.06264 2.332176  42.74783 2.282609   42.20000 4.200000   43.40000 5.000000   60.64624 3.024023   61.47903   3.551261 -0.8327942 4.664351 
1 1 1    7   11    3 o 20.81721 5.014438  4.230121 2.007229   2.100000 3.400000   7.300000 4.900000   16.54874 6.366960   25.08567   7.748559 -8.536930 10.02888 
1 1 1    7   11    4 o 83.02074 1.934000  79.02692 2.596154   77.20000 5.000000   81.00000 5.400000   82.02811 2.661626   84.01337   2.806629 -1.985260 3.868000 
1 1 1    7   11    5 o 134.7475 1.868842  208.4460 4.071166   209.9000 7.900000   206.9000 8.400000   135.2433 2.550651   134.2517   2.732116 0.9915771 3.737683 
1 1 1    7   11    6 o 29.42245 4.127209  10.29605 1.835526   10.50000 3.100000   10.00000 4.500000   30.15031 4.489620   28.69460   6.926669 1.455719 8.254418 
1 1 1    7   11    7 o 80.98099 2.134566  74.92321 2.767857   69.70000 5.000000   81.40000 6.200000   77.86619 2.803889   84.09579   3.219268 -6.229599 4.269131 
1 1 1    7   11    8 o 25.55097 3.699531  7.993333 1.498333   10.70000 2.900000   5.100000 3.100000   30.40681 4.164538   20.69513   6.115778 9.711687 7.399062 
1 1 1    7   11    9 o 61.83673 1.798340  44.00000 1.800000   42.50000 3.600000   45.50000 3.600000   60.77751 2.586421   62.89594   2.499307 -2.118431 3.596680 
1 1 1    7   11   10 o 50.91152 2.098855  29.95217 1.724638   26.70000 3.400000   33.30000 3.500000   48.08688 3.087394   53.73617   2.844075 -5.649296 4.197710 
1 1 1    7   11   11 o 40.41867 2.292230  18.95000 1.500000   18.50000 3.000000   19.40000 3.000000   39.93253 3.280456   40.90482   3.202480 -0.9722977 4.584459 
1 1 1    7   11   12 o 25.17227 4.957407  7.509412 1.995294   5.100000 3.200000   11.50000 5.300000   20.43819 6.253309   29.90634   7.694130 -9.468155 9.914813 
1 1 1    7   11   13 o 22.90847 4.394942  6.561194 1.629851   5.600000 2.800000   7.900000 3.900000   21.07740 5.674712   24.73955   6.712653 -3.662151 8.789885 
1 1 1    7   11   14 o 13.38964 3.825881 0.3241381 1.434483   2.700000 2.600000  -2.600000 3.200000   15.73921 5.658937   11.04008   5.150328 4.699139 7.651761 
1 1 1    7   11   15 o 24.65371 4.417622  7.861972 1.619718   6.700000 2.500000   10.00000 4.600000   22.81277 4.929140   26.49464   7.332469 -3.681868 8.835243 
1 1 1    7   11   16 o 16.63052 4.531545  3.116667 1.711111   3.700000 2.800000   2.200000 4.400000   16.91701 5.891448   16.34403   6.886975 0.5729847 9.063089 
1 1 1    7   11   17 o 19.01898 4.274568  4.641176 1.694118   7.700000 3.200000   1.200000 3.600000   23.60831 5.927336   14.42965   6.160714 9.178665 8.549135 
1 1 1    7   13    0 o 30.47046 3.937862  11.04079 1.888158   8.600000 3.500000   13.90000 4.100000   26.50635 5.915768   34.43457   5.199108 -7.928226 7.875724 
1 1 1    7   13    1 o 30.54989 4.127032  13.07176 2.075294   21.50000 3.600000   1.600000 4.900000   43.07282 3.649546   18.02696   7.403404 25.04586 8.254065 
1 1 1    7   13    2 o 32.39060 3.535841  12.60845 1.774648   9.700000 3.500000   15.60000 3.600000   28.20562 5.615800   36.57558   4.297847 -8.369957 7.071683 
1 1 1    7   13    3 o 24.80729 3.828102  7.706060 1.648485   12.70000 3.200000   2.400000 3.400000   32.96738 4.238432   16.64721   6.375983 16.32017 7.656205 
1 1 1    7   13    4 o 12.60481 4.051149 -3.942169 2.007229  0.4000000 3.400000  -10.20000 4.900000   14.24382 6.030771   10.96580   5.410827 3.278028 8.102299 
1 1 1    7   13    5 o 68.04404 1.837753  53.49383 2.024691   54.00000 4.100000   53.00000 4.000000   68.35726 2.619020   67.73082   2.578774 0.6264420 3.675506 
1 1 1    7   13    6 o 13.74960 4.226444 -0.7111110 1.794444  -2.600000 3.400000   1.400000 3.800000   11.59018 5.373600   15.90902   6.525009 -4.318841 8.452888 
1 1 1    7   13    7 o 23.39826 4.826827  7.000000 2.000000   5.000000 4.500000   8.600000 3.600000   20.78620 7.447856   26.01032   6.141861 -5.224119 9.653653 
1 1 1    7   13    8 o 21.83678 4.400332  5.491781 1.783562   1.500000 3.100000   10.90000 4.200000   14.69740 5.943613   28.97617   6.490391 -14.27877 8.800665 
1 1 1    7   13    9 o 12.36843 3.861301 -0.6131147 1.524590  -1.400000 3.000000  0.2000000 3.100000   11.51382 5.228939   13.22303   5.683026 -1.709215 7.722602 
1 1 1    7   13   10 o 16.42752 4.401319  1.538961 1.916883  -3.200000 4.100000   5.700000 3.600000   12.20298 5.736760   20.65205   6.676528 -8.449070 8.802638 
1 1 1    7   13   11 o 38.05851 3.702072  18.40667 2.240000   19.90000 4.200000   16.70000 4.800000   40.14771 4.568022   35.96931   5.827052 4.178406 7.404145 
1 1 1    7   13   12 o 31.89855 3.873038  13.47792 1.916883   14.60000 3.600000   12.20000 4.100000   34.06892 4.614066   29.72818   6.221905 4.340742 7.746077 
1 1 1    7   13   13 o 19.69432 4.641956  5.292958 1.757746   3.400000 3.200000   7.600000 3.900000   16.59385 6.224337   22.79479   6.888299 -6.200941 9.283913 
1 1 1    7   13   14 o 17.19435 4.795012  3.877215 1.967089   5.100000 4.200000   2.800000 3.700000   18.62081 7.097317   15.76789   6.449545 2.852921 9.590023 
1 1 1    7   15    0 o 16.97000 4.838089  2.736585 2.048780   2.200000 4.000000   3.300000 4.200000   16.27712 6.687399   17.66288   6.993361 -1.385765 9.676177 
1 1 1    7   15    1 o 17.24056 4.424383  3.252174 1.721739  0.8000000 3.600000   5.500000 3.300000   14.29449 6.133317   20.18663   6.378328 -5.892142 8.848765 
1 1 1    7   15    2 o 17.22377 4.369090  2.812329 1.821918  -1.300000 3.800000   6.600000 3.500000   12.72912 5.820946   21.71843   6.517082 -8.989306 8.738179 
1 1 1    7   15    3 o 16.03216 4.589461  2.316000 1.848000  0.6000000 3.300000   4.500000 4.200000   13.44446 5.820821   18.61985   7.097229 -5.175389 9.178923 
1 1 1    7   15    4 f 23.52659 3.903746  7.338462 1.929487   13.80000 3.500000 -0.6000000 4.300000   33.12714 4.613430   13.92604   6.298667 19.20110 7.807493 
1 1 1    7   15    5 f 31.73198 4.575754  13.81429 2.228571   12.10000 3.900000   16.10000 5.200000   29.87712 5.909205   33.58683   6.987946 -3.709713 9.151507 
1 1 1    7   15    6 o 18.12845 4.329502  2.224390 2.048780  -5.100000 4.200000   9.200000 4.000000   11.10760 5.376694   25.14930   6.787452 -14.04170 8.659003 
1 1 1    7   15    7 o 14.07838 4.366282 0.8473684 1.878947  0.4000000 3.400000   1.400000 4.200000   13.14468 5.794487   15.01209   6.533115 -1.867409 8.732563 
1 1 1    8    0    0 o 69.27359 1.198447  55.00000 1.900000   55.00000 1.900000   55.00000 1.900000   69.27359 1.198447   69.27359   1.198447 0.000000 0.000000 
1 1 1    8    0    1 o 60.31288 1.159342  41.70000 1.600000   41.70000 1.600000   41.70000 1.600000   60.31288 1.159342   60.31288   1.159342 0.000000 0.000000 
1 1 1    8    0    2 o 371.2413 4.565235  1579.200 38.80000   1579.200 38.80000   1579.200 38.80000   371.2413 4.565235   371.2413   4.565235 0.000000 0.000000 
1 1 1    8    0    3 o 174.2746 2.431464  348.0000 9.700000   348.0000 9.700000   348.0000 9.700000   174.2746 2.431464   174.2746   2.431464 0.000000 0.000000 
1 1 1    8    0    4 o 298.4260 3.703175  1020.400 25.30000   1020.400 25.30000   1020.400 25.30000   298.4260 3.703175   298.4260   3.703175 0.000000 0.000000 
1 1 1    8    0    5 o 466.7385 5.587026  2496.900 59.70000   2496.900 59.70000   2496.900 59.70000   466.7385 5.587026   466.7385   5.587026 0.000000 0.000000 
1 1 1    8    0    6 o 346.8062 4.395776  1378.500 34.90000   1378.500 34.90000   1378.500 34.90000   346.8062 4.395776   346.8062   4.395776 0.000000 0.000000 
1 1 1    8    0    7 o 82.22311 1.541304  77.50000 2.900000   77.50000 2.900000   77.50000 2.900000   82.22311 1.541304   82.22311   1.541304 0.000000 0.000000 
1 1 1    8    0    8 o 524.9974 6.073462  3159.900 73.00000   3159.900 73.00000   3159.900 73.00000   524.9974 6.073462   524.9974   6.073462 0.000000 0.000000 
1 1 1    8    0    9 o 377.4638 4.628833  1633.100 40.00000   1633.100 40.00000   1633.100 40.00000   377.4638 4.628833   377.4638   4.628833 0.000000 0.000000 
1 1 1    8    0   10 o 400.5691 4.885239  1839.100 44.80000   1839.100 44.80000   1839.100 44.80000   400.5691 4.885239   400.5691   4.885239 0.000000 0.000000 
1 1 1    8    0   11 o 72.49783 1.809454  60.30000 3.000000   60.30000 3.000000   60.30000 3.000000   72.49783 1.809454   72.49783   1.809454 0.000000 0.000000 
1 1 1    8    0   12 o 575.9087 6.696981  3803.000 88.30000   3803.000 88.30000   3803.000 88.30000   575.9087 6.696981   575.9087   6.696981 0.000000 0.000000 
1 1 1    8    0   13 o 331.7471 4.147592  1261.400 31.50000   1261.400 31.50000   1261.400 31.50000   331.7471 4.147592   331.7471   4.147592 0.000000 0.000000 
1 1 1    8    0   14 o 11.31536 6.281749  2.000000 2.400000   2.000000 2.400000   2.000000 2.400000   11.31536 6.281749   11.31536   6.281749 0.000000 0.000000 
1 1 1    8    0   15 o 69.44128 2.776869  55.50000 4.400000   55.50000 4.400000   55.50000 4.400000   69.44128 2.776869   69.44128   2.776869 0.000000 0.000000 
1 1 1    8    0   16 o 200.7011 2.807833  461.8000 12.90000   461.8000 12.90000   461.8000 12.90000   200.7011 2.807833   200.7011   2.807833 0.000000 0.000000 
1 1 1    8    0   17 o 122.0105 2.077086  170.7000 5.800000   170.7000 5.800000   170.7000 5.800000   122.0105 2.077086   122.0105   2.077086 0.000000 0.000000 
1 1 1    8    0   18 o 47.32417 3.744701  26.20000 4.000000   26.20000 4.000000   26.20000 4.000000   47.32417 3.744701   47.32417   3.744701 0.000000 0.000000 
1 1 1    8    0   19 o 18.79370 8.237203  5.900000 3.700000   5.900000 3.700000   5.900000 3.700000   18.79370 8.237203   18.79370   8.237203 0.000000 0.000000 
1 1 1    8    0   20 o 14.26279 6.979846  3.500000 2.700000   3.500000 2.700000   3.500000 2.700000   14.26279 6.979846   14.26279   6.979846 0.000000 0.000000 
1 1 1    8    0   21 o 105.1877 2.535567  127.5000 6.100000   127.5000 6.100000   127.5000 6.100000   105.1877 2.535567   105.1877   2.535567 0.000000 0.000000 
1 1 1    8    0   22 o 16.21872 7.746612  4.700000 3.300000   4.700000 3.300000   4.700000 3.300000   16.21872 7.746612   16.21872   7.746612 0.000000 0.000000 
1 1 1    8    0   23 o 6.959246 4.920698 -3.600000 3.200000  -3.600000 3.200000  -3.600000 3.200000   6.959246 4.920698   6.959246   4.920698 0.000000 0.000000 
1 1 1    8    0   24 o 13.65110 7.651126  3.500000 3.600000   3.500000 3.600000   3.500000 3.600000   13.65110 7.651126   13.65110   7.651126 0.000000 0.000000 
1 1 1    8    2    0 o 586.5021 6.722919  0.000000 0.000000          ?        ?   3942.500 90.30000          ?        ?   586.5021   6.722919       ?       ? 
1 1 1    8    2    1 o 255.5561 2.326957  747.8455 9.610390   742.8000 18.50000   753.3000 20.00000   254.6619 3.172105   256.4503   3.405387 -1.788452 4.653913 
1 1 1    8    2    2 o 171.7833 1.797863  337.8795 4.995500   335.6000 9.700000   340.3000 10.30000   171.1866 2.474239   172.3800   2.609096 -1.193390 3.595726 
1 1 1    8    2    3 o 71.10699 1.066067  57.91224 1.220408   57.70000 2.600000   58.10000 2.300000   70.98396 1.599384   71.23003   1.409952 -0.2460709 2.132134 
1 1 1    8    2    4 o 705.6873 5.849659  5713.678 66.82068   5814.700 136.5000   5616.800 130.9000   711.7764 8.373919   699.5981   8.170161 12.17828 11.69932 
1 1 1    8    2    5 o 170.6626 1.700330  332.4835 4.673936   315.5000 8.700000   352.2000 10.10000   165.9710 2.288900   175.3543   2.515039 -9.383286 3.400660 
1 1 1    8    2    6 o 113.7996 1.536263  149.2118 2.619091   152.3000 4.300000   144.4000 6.700000   115.3206 1.628176   112.2786   2.605659 3.042023 3.072526 
1 1 1    8    2    7 o 394.5955 3.929079  1792.633 22.55992   1812.900 35.80000   1758.100 61.00000   397.7600 3.930082   391.4310   6.804784 6.329041 7.858157 
1 1 1    8    2    8 f 337.2816 3.460204  1297.574 16.45289   1283.100 25.20000   1324.800 47.40000   334.6734 3.287904   339.8898   6.089477 -5.216370 6.920407 
1 1 1    8    2    9 o 118.5647 1.542062  160.8539 2.847863   160.1000 4.900000   161.9000 6.800000   118.2368 1.809602   118.8927   2.497431 -0.6558838 3.084125 
1 1 1    8    2   10 o 380.5890 3.873992  1630.724 20.72944   1564.900 31.40000   1758.600 61.00000   369.5947 3.709741   391.5833   6.802137 -21.98862 7.747983 
1 1 1    8    2   11 o 310.3189 3.166600  1093.243 14.15559   1067.000 22.00000   1140.600 39.70000   305.2024 3.147563   315.4354   5.495659 -10.23297 6.333200 
1 1 1    8    2   12 o 146.6820 1.817413  248.2048 3.947305   253.8000 6.400000   239.2000 10.30000   148.8654 1.877267   144.4986   3.112527 4.366730 3.634826 
1 1 1    8    2   13 o 420.7335 4.140422  2039.647 25.61687   2065.000 41.10000   1997.700 68.00000   424.4302 4.228392   417.0367   7.119907 7.393555 8.280844 
1 1 1    8    2   14 o 99.98322 1.838200  114.9913 2.692174   116.3000 4.300000   112.8000 7.200000   100.7630 1.863404   99.20343   3.169170 1.559586 3.676399 
1 1 1    8    2   15 o 146.2935 2.075236  240.8011 4.244211   231.1000 6.400000   259.9000 12.60000   142.0355 1.967536   150.5514   3.654479 -8.515900 4.150472 
1 1 1    8    2   16 o 29.46059 4.324197  11.79518 1.942169   16.80000 3.100000   3.400000 5.200000   38.26196 3.537807   20.65921   7.891681 17.60275 8.648394 
1 1 1    8    2   17 o 48.87937 2.156656  27.23676 1.663235   26.00000 2.900000   28.90000 3.900000   47.60294 2.660136   50.15580   3.395339 -2.552853 4.313311 
1 1 1    8    2   18 o 31.56041 3.076553  11.40000 1.555556   10.20000 2.800000   12.90000 3.500000   29.72477 4.113195   33.39606   4.576280 -3.671289 6.153106 
1 1 1    8    2   19 o 97.42817 1.731266  109.3364 2.571963   110.1000 4.300000   108.2000 6.400000   97.93096 1.917292   96.92538   2.883249 1.005585 3.462533 
1 1 1    8    2   20 o 23.17561 4.670664  6.289189 1.740541   4.700000 2.800000   8.900000 4.600000   19.70255 5.809459   26.64867   7.315093 -6.946123 9.341328 
1 1 1    8    2   21 o 21.45504 3.986100  5.757143 1.460317   7.400000 2.300000   2.900000 4.000000   25.07761 4.004806   17.83247   6.893294 7.245134 7.972200 
1 1 1    8    2   22 f 69.11634 2.168706  54.15591 1.995699   51.10000 2.900000   60.90000 6.400000   66.53002 1.903356   71.70266   3.897485 -5.172638 4.337413 
1 1 1    8    2   23 o 22.07714 4.743355  6.667568 1.828378   6.400000 3.300000   7.000000 4.100000   21.73515 6.277965   22.41913   7.112302 -0.6839867 9.486711 
1 1 1    8    2   24 o 20.63688 4.605492  5.891428 1.737143   4.200000 3.200000   7.900000 3.800000   17.83204 6.292106   23.44172   6.726933 -5.609678 9.210983 
1 1 1    8    4    0 o 298.6448 2.672799  1021.763 12.92457   1045.500 26.00000   998.3000 25.70000   302.0946 3.758116   295.1950   3.801577 6.899536 5.345598 
1 1 1    8    4    1 o 162.1510 1.657804  301.3000 4.349425   309.9000 8.600000   292.5000 8.800000   164.4942 2.282903   159.8078   2.404498 4.686447 3.315609 
1 1 1    8    4    2 o 92.35560 1.171855  97.77715 1.748571   100.4000 3.400000   95.00000 3.600000   93.63249 1.585594   91.07870   1.725939 2.553787 2.343709 
1 1 1    8    4    3 o 538.0014 4.465140  3319.906 38.88355   3284.500 76.20000   3356.800 79.40000   535.0881 6.218266   540.9147   6.409608 -5.826538 8.930281 
1 1 1    8    4    4 o 395.4471 3.330402  1792.780 21.32497   1767.000 42.70000   1818.500 42.60000   392.6033 4.749126   398.2910   4.670343 -5.687714 6.660804 
1 1 1    8    4    5 o 304.0825 2.731185  1058.716 13.43494   1089.100 27.80000   1030.300 26.00000   308.2975 3.937445   299.8674   3.786028 8.430145 5.462369 
1 1 1    8    4    6 o 69.95299 1.148386  55.67308 1.282692   59.80000 2.900000   52.40000 2.300000   72.26171 1.752385   67.64426   1.484693 4.617447 2.296773 
1 1 1    8    4    7 o 324.7687 3.738593  1206.244 18.62326   1192.700 31.20000   1226.300 46.20000   322.5948 4.223154   326.9426   6.170356 -4.347717 7.477187 
1 1 1    8    4    8 o 302.5982 3.329313  1043.780 15.27145   1022.400 25.10000   1077.000 39.00000   298.7210 3.669000   306.4754   5.556594 -7.754425 6.658626 
1 1 1    8    4    9 o 717.9114 11.42259  0.000000 0.000000          ?        ?   5929.100 187.8000          ?        ?   717.9114   11.42259       ?       ? 
1 1 1    8    4   10 o 110.1239 1.431999  138.0706 2.514706   146.9000 5.700000   131.1000 4.500000   113.2543 2.197657   106.9935   1.836516 6.260750 2.863999 
1 1 1    8    4   11 o 450.9850 3.866124  2332.676 28.20886   2337.800 55.10000   2327.300 57.80000   451.5101 5.328732   450.4599   5.602881 1.050201 7.732248 
1 1 1    8    4   12 o 89.67120 1.364065  92.00253 1.959494   93.20000 4.300000   91.00000 3.600000   90.20489 2.081508   89.13750   1.763525 1.067383 2.728131 
1 1 1    8    4   13 o 186.0869 2.182206  397.4435 5.985882   399.1000 9.600000   394.7000 15.90000   186.6446 2.245927   185.5292   3.742179 1.115402 4.364412 
1 1 1    8    4   14 o 70.08095 1.704388  55.95715 1.885714   53.90000 3.300000   58.70000 4.400000   68.59195 2.100780   71.56995   2.684489 -2.977997 3.408777 
1 1 1    8    4   15 o 296.2121 3.281544  1011.912 14.06733   1021.400 22.20000   995.5000 38.40000   298.3930 3.248658   294.0312   5.702662 4.361877 6.563088 
1 1 1    8    4   16 o 119.6120 2.017913  164.9248 3.385235   166.6000 5.200000   161.8000 9.700000   120.5619 1.883359   118.6622   3.569432 1.899712 4.035826 
1 1 1    8    4   17 o 113.2316 1.893684  147.1533 3.173333   146.7000 5.100000   147.9000 8.400000   113.0868 1.969237   113.3765   3.235161 -0.2897491 3.787369 
1 1 1    8    4   18 o 49.82734 2.056171  27.59091 1.527273   24.50000 2.400000   33.00000 4.200000   46.17774 2.269438   53.47694   3.429434 -7.299198 4.112343 
1 1 1    8    4   19 o 103.2200 2.032267  120.1443 2.888550   114.4000 4.300000   131.9000 8.800000   99.78237 1.881717   106.6577   3.602717 -6.875336 4.064533 
1 1 1    8    4   20 o 11.08184 3.630036 -2.477419 1.548387  -1.600000 3.200000  -3.300000 3.000000   11.93723 5.413216   10.22645   4.837947 1.710780 7.260072 
1 1 1    8    4   21 o 40.35929 2.360958  19.03279 1.475410   18.50000 2.500000   19.80000 3.600000   39.84322 2.739841   40.87535   3.845747 -1.032135 4.721916 
1 1 1    8    4   22 o 49.07166 3.031887  29.91758 2.129670   31.30000 3.400000   27.60000 5.700000   51.48308 2.883727   46.66023   5.334180 4.822849 6.063774 
1 1 1    8    4   23 o 13.68643 4.356375 -0.2444444 1.913580  0.1000000 3.100000 -0.8000000 5.000000   12.64638 5.555210   14.72647   6.712053 -2.080096 8.712749 
1 1 1    8    4   24 f 40.65895 2.317506  20.11803 1.514754   21.20000 3.300000   19.20000 2.800000   41.51220 3.471186   39.80571   3.071513 1.706490 4.635011 
1 1 1    8    6    0 o 109.0524 1.259915  136.1809 2.224719   137.9000 4.500000   134.5000 4.400000   109.7329 1.790669   108.3719   1.772866 1.361053 2.519831 
1 1 1    8    6    1 o 287.6474 2.581626  947.9609 12.02453   949.7000 23.90000   946.2000 24.20000   287.9140 3.624722   287.3808   3.677031 0.5332336 5.163252 
1 1 1    8    6    2 f 283.6169 3.314013  927.9066 14.83827   874.5000 33.40000   970.6000 26.70000   276.1905 5.280529   291.0433   4.005838 -14.85278 6.628026 
1 1 1    8    6    3 o 249.8893 2.277517  714.5712 9.146739   703.9000 17.00000   727.0000 19.80000   247.8809 2.994646   251.8978   3.432263 -4.016830 4.555034 
1 1 1    8    6    4 o 383.0409 3.326956  1681.870 20.61406   1699.700 40.30000   1663.200 42.20000   385.1284 4.569190   380.9533   4.837049 4.175140 6.653911 
1 1 1    8    6    5 f 198.2728 2.537573  451.1595 7.806231   455.0000 13.40000   445.8000 18.70000   199.3027 2.935832   197.2428   4.139807 2.059906 5.075147 
1 1 1    8    6    6 o 342.4770 2.988864  1343.865 16.57195   1346.500 33.60000   1341.300 32.70000   342.8055 4.279875   342.1484   4.173236 0.6571350 5.977728 
1 1 1    8    6    7 o 132.0801 2.380317  0.000000 0.000000          ?        ?   199.8000 7.200000          ?        ?   132.0801   2.380317       ?       ? 
1 1 1    8    6    8 o 363.5268 3.219207  1514.640 18.94789   1515.600 38.30000   1513.700 37.50000   363.6373 4.599070   363.4163   4.505744 0.2210083 6.438414 
1 1 1    8    6    9 o 292.0326 2.781781  976.3129 13.11274   999.8000 27.70000   955.2000 24.90000   295.3539 4.095217   288.7114   3.765955 6.642456 5.563561 
1 1 1    8    6   10 o 255.6104 2.470240  748.7953 10.22494   750.7000 20.50000   746.9000 20.40000   255.9344 3.497558   255.2863   3.489332 0.6480560 4.940480 
1 1 1    8    6   11 o 37.54452 2.731951  16.43077 1.615385   13.90000 3.500000   18.60000 3.000000   34.80721 4.390748   40.28183   3.252009 -5.474617 5.463903 
1 1 1    8    6   12 o 211.6586 2.218412  513.6204 7.597039   519.6000 14.90000   507.4000 15.50000   212.9211 3.055675   210.3961   3.216872 2.525040 4.436825 
1 1 1    8    6   13 o 180.4941 2.009982  373.4234 5.872340   367.6000 11.50000   379.5000 12.00000   179.0597 2.804399   181.9286   2.880183 -2.868896 4.019963 
1 1 1    8    6   14 o 57.76984 2.010310  37.58000 1.800000   34.30000 3.000000   42.50000 4.500000   54.69313 2.395125   60.84655   3.229359 -6.153412 4.020619 
1 1 1    8    6   15 o 198.2932 2.111236  451.5934 6.759409   446.5000 12.90000   457.2000 14.20000   197.1487 2.857166   199.4378   3.108999 -2.289078 4.222473 
1 1 1    8    6   16 o 45.82581 2.447327  24.59577 1.757746   27.30000 3.200000   21.30000 3.900000   48.71381 2.868386   42.93782   3.966107 5.775990 4.894654 
1 1 1    8    6   17 o 70.69086 1.791741  57.55000 2.050000   55.40000 4.100000   59.70000 4.100000   69.36280 2.581053   72.01891   2.485862 -2.656105 3.583482 
1 1 1    8    6   18 o 88.69919 2.127970  91.49487 2.692308   92.50000 4.200000   89.70000 7.500000   89.64594 2.045777   87.75244   3.732001 1.893494 4.255941 
1 1 1    8    6   19 o 80.94919 2.143656  73.91296 2.329630   69.60000 3.400000   83.30000 7.400000   77.70965 1.910485   84.18873   3.838111 -6.479080 4.287313 
1 1 1    8    6   20 o 18.33528 4.456474  3.917187 1.560938   3.200000 2.700000   4.900000 3.700000   16.67223 5.786468   19.99833   6.779190 -3.326096 8.912948 
1 1 1    8    6   21 o 31.43883 4.365531  13.25238 1.980952   13.90000 3.200000   12.20000 5.200000   33.79559 4.134563   29.08207   7.690049 4.713526 8.731063 
1 1 1    8    6   22 o 25.39269 3.655769  9.062712 1.454237   12.50000 2.600000   4.700000 3.300000   32.13686 3.532723   18.64853   6.401443 13.48833 7.311539 
1 1 1    8    8    0 o 331.9602 2.949933  1262.506 15.83091   1258.500 30.60000   1266.800 32.80000   331.4217 4.031625   332.4987   4.307484 -1.076935 5.899866 
1 1 1    8    8    1 o 40.04739 1.850321  18.33750 1.197917   16.90000 2.300000   19.90000 2.500000   38.41231 2.614551   41.68246   2.618945 -3.270157 3.700642 
1 1 1    8    8    2 o 237.9023 2.328099  649.0690 8.932123   662.3000 17.10000   634.6000 18.70000   240.4492 3.105364   235.3553   3.469424 5.093903 4.656199 
1 1 1    8    8    3 o 339.4566 2.942727  1319.915 16.15796   1298.000 31.30000   1343.300 33.40000   336.5521 4.060988   342.3611   4.259923 -5.808990 5.885455 
1 1 1    8    8    4 o 252.0070 2.407678  727.6206 9.824428   710.8000 19.50000   744.7000 19.80000   249.0713 3.418619   254.9428   3.391268 -5.871536 4.815356 
1 1 1    8    8    5 o 343.1183 3.149893  1349.675 17.49871   1358.300 34.70000   1340.900 35.30000   344.2288 4.401716   342.0079   4.506904 2.220886 6.299785 
1 1 1    8    8    6 o 97.11701 1.560891  108.1500 2.445918   110.5000 4.700000   105.6000 5.100000   98.21992 2.089479   96.01410   2.319396 2.205826 3.121781 
1 1 1    8    8    7 o 177.6268 1.999492  361.6000 5.750000   370.8000 11.50000   352.4000 11.50000   179.8884 2.791480   175.3651   2.863481 4.523224 3.998985 
1 1 1    8    8    8 o 82.37784 1.611851  77.75000 2.150000   76.50000 4.300000   79.00000 4.300000   81.71526 2.297762   83.04042   2.261094 -1.325165 3.223702 
1 1 1    8    8    9 o 334.1376 3.157559  1280.216 17.02489   1305.200 36.00000   1257.800 32.30000   337.1931 4.661907   331.0821   4.259970 6.110962 6.315118 
1 1 1    8    8   10 o 146.2542 1.820051  245.3744 4.285465   248.2000 8.100000   242.2000 9.100000   147.1588 2.403468   145.3496   2.733803 1.809189 3.640101 
1 1 1    8    8   11 o 110.2178 1.739975  139.0742 3.079839   136.5000 5.700000   142.1000 6.700000   109.1202 2.280917   111.3154   2.628206 -2.195198 3.479950 
1 1 1    8    8   12 o 63.28193 1.830640  45.93600 1.872000   45.60000 3.600000   46.30000 3.900000   63.04560 2.493374   63.51825   2.681055 -0.4726486 3.661280 
1 1 1    8    8   13 o 89.59795 1.948501  92.28053 2.823009   93.40000 5.500000   91.10000 5.800000   90.16674 2.663520   89.02914   2.844694 1.137596 3.897002 
1 1 1    8    8   14 o 46.48293 2.191746  24.87576 1.648485   24.10000 3.200000   25.70000 3.400000   45.74010 3.054869   47.22575   3.143690 -1.485653 4.383493 
1 1 1    8    8   15 o 27.20552 4.425589  9.123377 1.924675   7.100000 3.800000   11.20000 3.900000   24.05718 6.666767   30.35386   5.822161 -6.296677 8.851177 
1 1 1    8    8   16 o 72.17517 1.944726  59.82088 2.252747   55.00000 4.100000   65.70000 5.000000   69.00787 2.594328   75.34248   2.897809 -6.334618 3.889452 
1 1 1    8    8   17 o 73.01216 1.730787  61.52346 1.972839   62.80000 4.700000   60.60000 3.400000   73.54728 2.790429   72.47704   2.048416 1.070236 3.461575 
1 1 1    8    8   18 o 42.71150 2.421786  21.42089 1.671642   20.80000 3.200000   22.10000 3.500000   42.09784 3.319173   43.32516   3.527504 -1.227329 4.843572 
1 1 1    8    8   19 o 29.62350 3.879803  11.41945 1.794444   12.60000 3.400000   10.10000 3.800000   31.89425 4.654857   27.35275   6.208365 4.541492 7.759606 
1 1 1    8    8   20 o 38.52082 3.195005  18.61139 1.972152   22.40000 4.100000   15.10000 3.800000   42.52287 4.210183   34.51878   4.806931 8.004089 6.390010 
1 1 1    8    8   21 o 19.15881 4.394684  5.185714 1.634286   6.300000 2.600000   3.300000 4.400000   21.39040 5.327587   16.92721   6.990695 4.463192 8.789369 
1 1 1    8   10    0 o 157.5563 1.793369  284.2415 4.568306   279.0000 8.800000   289.9000 9.500000   156.0495 2.462408   159.0631   2.607918 -3.013535 3.586738 
1 1 1    8   10    1 o 176.7526 2.010870  358.0130 5.739130   358.3000 11.00000   357.7000 12.00000   176.8324 2.716255   176.6728   2.965864 0.1595612 4.021739 
1 1 1    8   10    2 o 33.19449 3.939286  13.65000 1.950000   20.30000 3.900000   7.000000 3.900000   42.07079 4.047843   24.31818   6.759207 17.75261 7.878572 
1 1 1    8   10    3 o 141.1595 1.882090  228.4076 4.299418   240.8000 8.700000   216.3000 8.500000   144.9473 2.620890   137.3717   2.701850 7.575546 3.764181 
1 1 1    8   10    4 o 169.4643 2.006749  329.1764 5.483636   327.9000 10.40000   330.6000 11.60000   169.1279 2.685084   169.8007   2.983033 -0.6728821 4.013498 
1 1 1    8   10    5 o 70.39806 1.868709  56.88470 2.124706   62.50000 4.300000   51.40000 4.200000   73.83957 2.542840   66.95654   2.739025 6.883034 3.737418 
1 1 1    8   10    6 o 100.6078 1.821123  116.5669 2.946610   125.6000 5.700000   106.9000 6.100000   104.6705 2.377881   96.54510   2.758921 8.125443 3.642247 
1 1 1    8   10    7 o 167.9571 1.922253  323.7397 5.222010   327.4000 10.20000   319.9000 10.70000   168.9397 2.636380   166.9745   2.798166 1.965286 3.844507 
1 1 1    8   10    8 o 79.49535 1.652254  72.43530 2.117647   73.60000 4.500000   71.40000 4.000000   80.09097 2.453402   78.89973   2.213727 1.191238 3.304507 
1 1 1    8   10    9 f 92.26791 1.732820  97.72330 2.545631   97.50000 4.600000   98.00000 5.700000   92.17621 2.179108   92.35960   2.694837 -0.1833954 3.465639 
1 1 1    8   10   10 o 39.93751 3.018724  19.00933 1.858667   22.50000 3.400000   14.80000 4.100000   44.18327 3.360167   35.69175   5.015980 8.491524 6.037447 
1 1 1    8   10   11 o 20.33400 3.901980  4.898113 1.301887   3.900000 2.300000   6.200000 3.000000   18.08846 5.245912   22.57955   5.777734 -4.491091 7.803961 
1 1 1    8   10   12 o 29.01707 2.931933  9.723636 1.352727   9.200000 2.400000   10.40000 3.100000   28.17089 3.720064   29.86325   4.532776 -1.692364 5.863867 
1 1 1    8   10   13 o 31.90659 4.066943  12.45062 2.017284   11.70000 3.800000   13.30000 4.300000   30.92161 5.571044   32.89157   5.926515 -1.969954 8.133886 
1 1 1    8   10   14 o 23.31924 4.160157  6.838095 1.574603   6.100000 3.100000   7.600000 3.200000   22.03121 5.987592   24.60727   5.777229 -2.576059 8.320314 
1 1 1    8   10   15 o 16.21128 4.693334 0.8647060 2.122353   4.000000 4.100000  -2.500000 4.400000   18.99889 7.061344   13.42367   6.184411 5.575221 9.386667 
1 1 1    8   10   16 o 40.72697 2.796809  20.38028 1.774648   26.00000 3.500000   14.60000 3.600000   46.86470 3.261084   34.58925   4.544656 12.27545 5.593618 
1 1 1    8   10   17 f 22.15323 3.743192  6.322222 1.574603   11.30000 3.200000   1.500000 3.100000   30.08021 4.645247   14.22625   5.870914 15.85396 7.486384 
1 1 1    8   10   18 o 12.74426 4.076207 -0.8780822 1.816438  -2.000000 3.900000  0.1000000 3.400000   12.35077 5.736317   13.13774   5.792800 -0.7869740 8.152414 
1 1 1    8   10   19 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    8   12    0 o 21.89138 4.275125  5.293334 1.858667   9.600000 3.400000  0.1000000 4.100000   28.29489 5.444639   15.48787   6.592622 12.80702 8.550249 
1 1 1    8   12    1 o 53.16422 2.233589  32.85333 1.818667   34.30000 3.100000   30.80000 4.400000   54.64588 2.477103   51.68255   3.717478 2.963326 4.467178 
1 1 1    8   12    2 o 32.95838 2.806422  12.65254 1.474576   9.900000 2.900000   15.50000 3.000000   29.25343 4.328733   36.66333   3.572967 -7.409901 5.612845 
1 1 1    8   12    3 o 23.11416 4.814364  6.214815 2.024691   9.100000 4.100000   3.400000 4.000000   27.29726 6.625432   18.93107   6.986850 8.366190 9.628729 
1 1 1    8   12    4 o 70.60094 1.923966  57.23409 2.195454   62.20000 4.600000   52.70000 4.200000   73.52322 2.731951   67.67865   2.709800 5.844574 3.847931 
1 1 1    8   12    5 o 56.50088 2.326852  37.15714 2.080952   39.60000 3.800000   34.20000 4.600000   58.63035 2.830094   54.37141   3.694256 4.258942 4.653704 
1 1 1    8   12    6 o 59.23212 2.427800  42.19886 2.144318   48.80000 3.700000   33.10000 5.100000   65.10625 2.481526   53.35801   4.173594 11.74824 4.855601 
1 1 1    8   12    7 f 40.80151 2.651069  19.35000 1.750000   20.30000 3.500000   18.40000 3.500000   41.81820 3.654622   39.78482   3.841407 2.033375 5.302138 
1 1 1    8   12    8 o 37.11377 3.740648  16.22333 2.232222   13.90000 4.100000   19.00000 4.900000   34.23450 5.229493   39.99303   5.349972 -5.758530 7.481296 
1 1 1    8   12    9 o 27.45348 4.040223  9.202857 1.727143   6.900000 3.100000   12.10000 3.900000   23.53293 5.791369   31.37404   5.635037 -7.841108 8.080445 
1 1 1    8   12   10 o 48.15385 2.600291  27.17125 1.938750   26.80000 3.300000   27.70000 4.700000   47.96070 3.004471   48.34701   4.244905 -0.3863029 5.200583 
1 1 1    8   12   11 o 34.40739 3.320296  14.25000 1.850000   14.20000 3.700000   14.30000 3.700000   34.34394 4.704259   34.47085   4.686941 -0.1269073 6.640593 
1 1 1    8   12   12 o 34.46162 3.362417  14.41200 1.848000   15.70000 4.200000   13.40000 3.300000   35.63837 5.146016   33.28487   4.329192 2.353508 6.724833 
1 1 1    8   12   13 o 16.27886 3.819115 -1.407792 1.898701   7.600000 3.400000  -12.80000 4.300000   23.70449 6.194397   8.853237   4.469005 14.85125 7.638230 
1 1 1    8   12   14 o 27.76476 4.080885  10.42500 1.794444   9.000000 3.800000   11.70000 3.400000   25.19921 6.531055   30.33031   4.894877 -5.131098 8.161771 
1 1 1    8   12   15 o 20.69630 4.343036  3.946836 1.835443  -2.000000 2.900000   14.20000 5.000000   10.42370 4.876038   30.96889   7.188331 -20.54519 8.686072 
1 1 1    8   14    0 o 25.03936 4.139455  7.896970 1.612121   7.600000 2.800000   8.300000 3.800000   24.70442 5.117377   25.37431   6.507903 -0.6698875 8.278910 
1 1 1    8   14    1 o 21.56959 5.176012  4.922772 2.495049   9.200000 4.500000 -0.4000000 5.600000   26.38937 7.231524   16.74981   7.407391 9.639555 10.35202 
1 1 1    8   14    2 o 13.02454 3.983870 -0.8447761 1.665672   1.700000 3.100000  -3.800000 3.600000   14.94379 5.978527   11.10530   5.267076 3.838493 7.967739 
1 1 1    8   14    3 o 13.80526 4.190703 0.3298508 1.644776  0.2000000 2.900000  0.5000000 3.800000   12.84373 5.507665   14.76679   6.317720 -1.923056 8.381406 
1 1 1    8   14    4 o 63.20367 2.272006  46.85376 2.324731   47.20000 4.600000   46.50000 4.700000   63.46193 3.165077   62.94542   3.260419 0.5165138 4.544012 
1 1 1    8   14    5 o 12.06724 3.982234 -2.286667 1.778667  -1.900000 2.900000  -2.900000 4.600000   10.78769 4.987841   13.34679   6.209203 -2.559097 7.964469 
1 1 1    8   14    6 o 41.45339 3.049567  21.14074 2.009876   22.10000 3.700000   20.00000 4.400000   42.80384 3.774494   40.10294   4.790890 2.700901 6.099133 
1 1 1    8   14    7 o 15.80431 4.467529 0.9531645 1.974684  -3.300000 4.000000   5.100000 3.900000   11.90911 5.619352   19.69952   6.946808 -7.790406 8.935059 
1 1 1    8   14    8 o 22.45845 5.080299  7.397675 2.139535   8.700000 4.000000   5.900000 4.600000   24.51533 6.856452   20.40157   7.498454 4.113766 10.16060 
1 1 1    8   14    9 o 16.51348 4.375495  1.307317 2.019512   6.400000 3.600000  -5.200000 4.600000   21.24901 6.654541   11.77795   5.683036 9.471054 8.750990 
1 1 1    8   14   10 o 31.49497 4.200348  13.89877 1.987654   15.80000 3.500000   11.40000 4.600000   35.46819 4.308923   27.52176   7.211442 7.946432 8.400697 
1 1 1    9    1    0 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    9    1    1 o 66.19087 1.019571  51.27143 1.011905   55.40000 1.700000   45.20000 2.500000   69.55588 1.067222   62.82586   1.737566 6.730019 2.039141 
1 1 1    9    1    2 o 515.5737 4.839809  3066.217 36.95876   3128.300 59.90000   2966.200 96.50000   522.5479 5.005419   508.5994   8.284974 13.94852 9.679619 
1 1 1    9    1    3 o 323.5084 2.834822  1198.826 14.84983   1220.800 29.80000   1177.000 29.60000   326.4640 3.985848   320.5528   4.032105 5.911194 5.669643 
1 1 1    9    1    4 o 176.3549 1.724633  356.2102 4.924873   358.2000 9.800000   354.2000 9.900000   176.8503 2.419692   175.8595   2.458154 0.9907379 3.449265 
1 1 1    9    1    5 o 177.7588 1.841348  361.8099 5.295755   366.9000 10.90000   357.0000 10.30000   178.9732 2.659366   176.5445   2.547551 2.428741 3.682695 
1 1 1    9    1    6 o 69.02451 1.073267  54.47917 1.197917   57.50000 2.500000   51.70000 2.300000   70.85875 1.540587   67.19026   1.494725 3.668488 2.146534 
1 1 1    9    1    7 f 364.3318 3.207711  1521.147 18.92100   1507.400 37.30000   1535.300 38.40000   362.6647 4.491002   365.9989   4.581326 -3.334198 6.415422 
1 1 1    9    1    8 o 167.0622 1.709490  319.5081 4.621622   326.8000 9.500000   312.6000 9.000000   168.9169 2.455785   165.2075   2.378770 3.709366 3.418980 
1 1 1    9    1    9 o 628.5842 10.19075  0.000000 0.000000          ?        ?   4541.500 146.7000          ?        ?   628.5842   10.19075       ?       ? 
1 1 1    9    1   10 o 275.0933 2.451853  865.4643 10.89977   905.5000 22.90000   829.1000 20.80000   281.1517 3.556596   269.0349   3.375937 12.11673 4.903705 
1 1 1    9    1   11 o 202.7188 1.934324  470.4272 6.343701   481.0000 13.10000   460.5000 12.30000   204.9249 2.791363   200.5127   2.678570 4.412170 3.868649 
1 1 1    9    1   12 o 519.1171 4.318141  3091.512 36.29828   3104.400 73.10000   3078.800 72.10000   520.1870 6.136173   518.0471   6.077230 2.139832 8.636281 
1 1 1    9    1   13 o 137.7327 1.614092  217.2792 3.599306   215.8000 7.100000   218.8000 7.300000   137.2578 2.258713   138.2075   2.306380 -0.9497681 3.228184 
1 1 1    9    1   14 o 227.3435 2.207581  592.5354 8.124308   601.7000 16.10000   583.2000 16.40000   229.1222 3.068304   225.5648   3.174770 3.557434 4.415162 
1 1 1    9    1   15 o 157.0437 1.701203  282.6850 4.324855   288.7000 8.600000   276.6000 8.700000   158.7265 2.365858   155.3608   2.445218 3.365753 3.402407 
1 1 1    9    1   16 o 94.14931 1.608109  101.5878 2.445918   101.9000 5.100000   101.3000 4.700000   94.28466 2.361940   94.01395   2.182957 0.2707062 3.216219 
1 1 1    9    1   17 o 143.5388 1.860288  236.0064 4.313295   247.0000 9.100000   226.1000 8.200000   146.7015 2.708610   140.3760   2.550708 6.325531 3.720575 
1 1 1    9    1   18 o 116.4227 1.644257  155.6153 3.099194   153.5000 6.100000   157.8000 6.300000   115.6216 2.303725   117.2238   2.346738 -1.602180 3.288514 
1 1 1    9    1   19 o 29.09705 3.480299  10.30000 1.550000   7.000000 3.100000   13.60000 3.100000   23.94569 5.729613   34.24841   3.952400 -10.30272 6.960599 
1 1 1    9    1   20 o 93.06418 1.698180  100.1402 2.546078   104.8000 4.900000   95.10000 5.300000   95.36610 2.243581   90.76226   2.549825 4.603836 3.396360 
1 1 1    9    1   21 f 21.80960 4.318582  6.000000 1.600000   5.000000 3.200000   7.000000 3.200000   20.10082 6.270537   23.51839   5.939778 -3.417568 8.637164 
1 1 1    9    1   22 o 20.93608 4.169279  5.520000 1.485000   7.500000 3.300000   3.900000 2.700000   24.06983 6.006028   17.80232   5.784391 6.267506 8.338558 
1 1 1    9    1   23 o 38.78394 2.768957  18.41159 1.715942   17.50000 3.700000   19.20000 3.200000   37.64659 4.291566   39.92130   3.500137 -2.274704 5.537915 
1 1 1    9    1   24 o 30.48544 3.887477  12.33333 1.866667   10.00000 3.500000   15.00000 4.000000   26.96789 5.836473   34.00298   5.136682 -7.035089 7.774955 
1 1 1    9    3    0 o 113.9649 1.232731  148.7121 2.274725   152.2000 4.600000   145.3000 4.500000   115.2867 1.742282   112.6431   1.744406 2.643570 2.465461 
1 1 1    9    3    1 o 122.7921 1.383399  172.6273 2.749091   182.3000 5.600000   163.3000 5.400000   126.1702 1.938077   119.4141   1.974595 6.756065 2.766797 
1 1 1    9    3    2 o 452.6662 3.806106  2348.589 27.89964   2331.700 55.60000   2365.600 56.00000   451.0327 5.382778   454.2997   5.382516 -3.266937 7.612212 
1 1 1    9    3    3 o 294.4362 2.698367  993.6432 12.82646   1000.200 24.60000   986.5000 26.80000   295.4603 3.635596   293.4121   3.988379 2.048218 5.396733 
1 1 1    9    3    4 o 425.4749 3.679790  2074.616 25.32150   2106.500 52.40000   2044.800 49.00000   428.6228 5.338211   422.3269   5.066255 6.295868 7.359581 
1 1 1    9    3    5 o 288.4111 2.649893  953.2253 12.37495   965.7000 24.70000   940.7000 24.80000   290.3041 3.715211   286.5182   3.779541 3.785858 5.299786 
1 1 1    9    3    6 o 125.1047 1.554860  179.0286 3.142857   185.0000 6.600000   173.6000 6.000000   127.0929 2.267579   123.1165   2.128015 3.976425 3.109720 
1 1 1    9    3    7 o 149.1394 1.615636  254.7897 3.897436   253.2000 8.000000   256.3000 7.600000   148.6848 2.349434   149.5941   2.218395 -0.9092865 3.231272 
1 1 1    9    3    8 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1    9    3    9 o 482.3067 4.982477  2664.341 36.96521   2648.400 62.30000   2687.600 90.90000   480.6733 5.659496   483.9401   8.201854 -3.266754 9.964953 
1 1 1    9    3   10 o 544.2424 5.229409  3396.744 41.39798   3391.900 65.40000   3405.100 112.8000   543.9846 5.249656   544.5001   9.045881 -0.5155029 10.45882 
1 1 1    9    3   11 o 476.0488 4.631953  2578.031 31.55569   2522.800 48.80000   2679.100 89.30000   469.1494 4.542012   482.9481   8.074037 -13.79865 9.263906 
1 1 1    9    3   12 o 230.7477 2.622400  606.7332 8.788422   597.4000 13.80000   623.1000 24.20000   228.3643 2.638704   233.1311   4.532677 -4.766876 5.244799 
1 1 1    9    3   13 o 264.3649 2.969764  799.7869 11.17955   795.4000 17.30000   807.8000 31.60000   263.4581 2.867307   265.2716   5.201589 -1.813477 5.939527 
1 1 1    9    3   14 o 229.9229 2.533710  601.8626 8.298902   591.7000 12.80000   620.6000 23.60000   227.2547 2.459443   232.5910   4.430562 -5.336227 5.067420 
1 1 1    9    3   15 o 177.1824 2.174312  361.4041 5.639004   365.4000 9.000000   354.7000 15.10000   178.5655 2.200821   175.7994   3.750588 2.766098 4.348623 
1 1 1    9    3   16 o 130.5444 1.912403  196.9263 3.668590   201.2000 5.900000   189.9000 9.700000   132.4906 1.944494   128.5982   3.293643 3.892426 3.824805 
1 1 1    9    3   17 o 45.05909 2.534793  24.68235 1.605882   28.20000 2.600000   19.00000 4.200000   49.56812 2.290396   40.55006   4.522696 9.018055 5.069585 
1 1 1    9    3   18 o 16.34086 4.292749  2.200000 1.466667   3.200000 2.200000  0.2000000 4.400000   16.63116 5.201071   16.05056   6.830788 0.5805969 8.585499 
1 1 1    9    3   19 o 49.86988 2.478866  28.85455 1.781818   29.00000 2.800000   28.60000 4.900000   50.18770 2.436130   49.55207   4.317914 0.6356316 4.957733 
1 1 1    9    3   20 o 37.17777 3.185068  14.86104 1.651948   11.90000 2.400000   21.40000 5.300000   31.99857 3.275068   42.35697   5.463749 -10.35839 6.370135 
1 1 1    9    3   21 o 12.75195 3.882125      0.07 1.434483 -0.6000000 2.600000  0.9000000 3.200000   11.35180 5.032386   14.15209   5.912586 -2.800286 7.764251 
1 1 1    9    3   22 o 22.24094 3.974289  6.666153 1.578462   9.200000 2.700000   3.100000 3.800000   27.41553 4.300380   17.06635   6.684806 10.34919 7.948578 
1 1 1    9    3   23 o 13.98928 4.158071  1.259375 1.593750   1.400000 3.000000   1.100000 3.400000   13.87393 5.754493   14.10464   6.003666 -0.2307081 8.316141 
1 1 1    9    3   24 o 19.11378 4.498747  5.206849 1.610959   5.700000 2.400000   4.200000 4.900000   20.34771 5.146739   17.87985   7.380106 2.467865 8.997494 
1 1 1    9    5    0 o 239.0981 2.188960  654.2513 8.458407   673.1000 17.70000   637.0000 16.20000   242.3894 3.188595   235.8068   2.999842 6.582611 4.377921 
1 1 1    9    5    1 o 97.24182 1.223898  108.1896 1.916883   110.0000 4.100000   106.6000 3.600000   98.00425 1.826748   96.47939   1.629325 1.524857 2.447796 
1 1 1    9    5    2 o 460.4279 3.795592  2430.520 28.29859   2442.000 57.00000   2419.200 56.20000   461.5049 5.393097   459.3510   5.342339 2.153931 7.591185 
1 1 1    9    5    3 o 234.1433 2.195520  627.7297 8.318919   614.4000 16.20000   641.8000 17.10000   231.5911 3.054449   236.6956   3.154610 -5.104492 4.391039 
1 1 1    9    5    4 o 394.7415 3.304780  1785.796 21.12355   1779.300 41.90000   1792.400 42.60000   394.0199 4.643394   395.4632   4.703739 -1.443237 6.609559 
1 1 1    9    5    5 o 233.7690 2.232683  626.0953 8.447337   623.5000 17.20000   628.6000 16.60000   233.2908 3.219368   234.2473   3.094377 -0.9564972 4.465366 
1 1 1    9    5    6 o 230.8945 2.166332  610.6172 8.098765   625.6000 16.40000   596.0000 16.00000   233.6922 3.064356   228.0968   3.062955 5.595459 4.332663 
1 1 1    9    5    7 o 255.6921 3.381330  748.9000 19.80000   748.9000 19.80000          ?        ?   255.6921 3.381330          ?          ?       ?       ? 
1 1 1    9    5    8 o 193.6746 1.978713  429.8097 6.193548   424.7000 12.80000   434.6000 12.00000   192.5568 2.902625   194.7924   2.689980 -2.235611 3.957426 
1 1 1    9    5    9 o 20.55227 2.932642  5.152632 0.9473684   7.000000 1.800000   3.100000 2.000000   24.71910 3.179651   16.38545   4.928629 8.333656 5.865285 
1 1 1    9    5   10 o 55.82758 2.424670  35.70000 3.100000   35.70000 3.100000          ?        ?   55.82758 2.424670          ?          ?       ?       ? 
1 1 1    9    5   11 o 222.0224 2.204001  564.4066 7.915457   582.1000 16.40000   547.9000 15.30000   225.3797 3.177377   218.6651   3.055285 6.714645 4.408002 
1 1 1    9    5   12 o 125.2027 2.406440  179.6000 6.900000   179.6000 6.900000          ?        ?   125.2027 2.406440          ?          ?       ?       ? 
1 1 1    9    5   13 o 138.3112 1.704518  219.5618 3.776316   215.3000 8.200000   223.2000 7.000000   137.0552 2.612509   139.5672   2.190051 -2.511993 3.409037 
1 1 1    9    5   14 o 67.79325 1.898087  52.56342 1.971951   53.40000 4.900000   52.00000 3.300000   68.22681 3.136034   67.35970   2.139211 0.8671112 3.796173 
1 1 1    9    5   15 o 66.84732 1.937121  52.00976 2.019512   56.40000 3.600000   46.40000 4.600000   70.13044 2.241484   63.56421   3.159984 6.566235 3.874242 
1 1 1    9    5   16 o 102.4898 1.797109  120.9632 2.596491   121.7000 4.000000   119.6000 7.400000   103.0229 1.695376   101.9567   3.169243 1.066132 3.594218 
1 1 1    9    5   17 o 26.43022 3.955960  9.512676 1.673239   14.00000 2.700000   2.200000 4.400000   34.83367 3.384576   18.02677   7.151442 16.80690 7.911920 
1 1 1    9    5   18 o 43.41927 2.461315  20.78696 1.565217   17.90000 2.400000   26.20000 4.500000   39.40147 2.659736   47.43706   4.142232 -8.035587 4.922630 
1 1 1    9    5   19 f 35.17963 2.848749  14.50000 1.485714   14.50000 2.400000   14.50000 3.900000   35.36322 2.963461   34.99606   4.866148 0.3671608 5.697499 
1 1 1    9    5   20 o 47.65017 2.988482  28.64940 1.915663   32.30000 3.000000   22.20000 5.300000   52.72857 2.484363   42.57178   5.436180 10.15679 5.976964 
1 1 1    9    5   21 f 20.01755 4.353340  5.335484 1.548387   4.900000 3.000000   5.800000 3.200000   19.26479 6.080904   20.77032   6.231283 -1.505531 8.706680 
1 1 1    9    5   22 o 28.73257 4.376836  11.76835 1.835443   13.20000 2.900000   9.300000 5.000000   32.84246 3.855689   24.62267   7.858782 8.219791 8.753673 
1 1 1    9    5   23 o 34.69065 3.467847  15.67692 1.938461   14.20000 3.600000   17.40000 4.200000   33.05968 4.754924   36.32162   5.049213 -3.261948 6.935694 
1 1 1    9    7    0 o 168.3694 1.806328  324.6924 4.924873   323.2000 9.800000   326.2000 9.900000   167.9806 2.547455   168.7582   2.561593 -0.7775421 3.612656 
1 1 1    9    7    1 o 100.0301 1.776179  115.5634 2.691964   110.0000 6.700000   119.3000 4.500000   97.99571 2.985434   102.0644   1.925209 -4.068680 3.552358 
1 1 1    9    7    2 o 144.3188 1.755524  238.6244 4.097561   241.6000 8.000000   235.5000 8.400000   145.2424 2.405118   143.3953   2.557902 1.847031 3.511048 
1 1 1    9    7    3 o 187.6557 1.916851  403.3361 5.824893   406.6000 11.70000   400.1000 11.60000   188.4117 2.711550   186.8997   2.710124 1.512039 3.833702 
1 1 1    9    7    4 o 343.6955 3.085796  1352.931 17.16681   1410.000 35.10000   1298.300 33.60000   350.7858 4.369229   336.6051   4.358713 14.18066 6.171591 
1 1 1    9    7    5 o 258.5346 2.396343  765.4492 10.00249   759.4000 19.10000   772.1000 21.00000   257.4681 3.239289   259.6011   3.532258 -2.133026 4.792686 
1 1 1    9    7    6 o 450.8065 3.893359  2329.481 28.40897   2407.900 58.20000   2254.700 55.50000   458.2095 5.546239   443.4035   5.465547 14.80603 7.786718 
1 1 1    9    7    7 o 362.3210 3.293980  1504.789 19.31565   1493.200 37.80000   1516.900 39.50000   360.9026 4.573425   363.7395   4.741835 -2.836914 6.587959 
1 1 1    9    7    8 o 182.4184 1.931038  381.4544 5.698246   390.1000 11.20000   372.5000 11.60000   184.5266 2.650323   180.3101   2.809167 4.216492 3.862076 
1 1 1    9    7    9 o 37.56279 2.579166  16.48000 1.418333   17.40000 2.300000   15.00000 3.700000   38.96851 2.577233   36.15706   4.468362 2.811455 5.158332 
1 1 1    9    7   10 o 120.4498 1.752921  165.6875 3.340441   162.0000 5.900000   170.5000 7.700000   118.9181 2.166425   121.9816   2.756362 -3.063469 3.505842 
1 1 1    9    7   11 o 248.6884 2.504561  709.5524 10.05261   709.6000 19.20000   709.5000 21.10000   248.7198 3.370781   248.6569   3.705285 0.6292725E-01 5.009121 
1 1 1    9    7   12 o 33.42446 3.680660  12.91818 1.898701   8.900000 3.400000   18.00000 4.300000   27.29448 5.626338   39.55444   4.746932 -12.25996 7.361321 
1 1 1    9    7   13 o 151.7993 1.749756  264.3535 4.297674   264.5000 8.400000   264.2000 8.800000   151.8490 2.415500   151.7495   2.532182 0.9947205E-01 3.499512 
1 1 1    9    7   14 o 113.4759 1.687101  147.8500 3.100000   145.9000 6.200000   149.8000 6.200000   112.7256 2.401646   114.2263   2.370092 -1.500732 3.374202 
1 1 1    9    7   15 o 77.83104 1.771716  69.80113 2.144318   70.60000 3.700000   68.70000 5.100000   78.41309 2.060406   77.24899   2.882817 1.164093 3.543432 
1 1 1    9    7   16 o 89.42902 1.613667  92.06956 2.230435   92.40000 3.800000   91.60000 5.400000   89.69390 1.849952   89.16415   2.644498 0.5297546 3.227335 
1 1 1    9    7   17 o 68.16626 2.013731  53.51461 2.211236   49.00000 4.100000   58.80000 4.800000   65.08595 2.750656   71.24657   2.941826 -6.160614 4.027462 
1 1 1    9    7   18 o 50.82488 2.430759  30.25000 1.998750   28.30000 3.900000   32.30000 4.100000   49.13615 3.465797   52.51361   3.409194 -3.377453 4.861518 
1 1 1    9    7   19 o 31.75037 3.312357  12.20000 1.700000   13.00000 3.400000   11.40000 3.400000   32.85060 4.519344   30.65015   4.843798 2.200447 6.624715 
1 1 1    9    7   20 o 25.85830 4.086763  8.880597 1.671642   10.50000 3.500000   7.400000 3.200000   28.26603 5.604817   23.45056   5.949163 4.815477 8.173526 
1 1 1    9    7   21 o 21.12040 4.313323  6.057143 1.485714   5.600000 2.400000   6.800000 3.900000   20.53068 5.121424   21.71012   6.941905 -1.179436 8.626646 
1 1 1    9    9    0 o 396.7995 3.583097  1805.277 23.01716   1850.700 46.90000   1761.500 45.20000   401.6956 5.098183   391.9034   5.036155 9.792267 7.166193 
1 1 1    9    9    1 o 147.8124 1.682529  250.2416 4.023602   267.1000 8.200000   234.0000 7.900000   152.7004 2.344841   142.9244   2.413574 9.776016 3.365058 
1 1 1    9    9    2 o 259.6971 2.403248  773.3196 10.09777   791.2000 19.90000   754.9000 20.50000   262.7523 3.307092   256.6420   3.487915 6.110291 4.806496 
1 1 1    9    9    3 o 220.5235 2.201322  557.8716 7.844904   574.0000 15.30000   540.9000 16.10000   223.8053 2.985113   217.2416   3.236104 6.563690 4.402643 
1 1 1    9    9    4 o 161.4916 1.894166  298.9182 4.945455   301.1000 9.600000   296.6000 10.20000   162.1036 2.585939   160.8797   2.768462 1.223877 3.788333 
1 1 1    9    9    5 f 51.62083 2.020341  30.72537 1.671642   33.40000 3.200000   27.80000 3.500000   53.99106 2.588021   49.25059   3.103104 4.740471 4.040681 
1 1 1    9    9    6 f 93.54291 1.699684  100.1155 2.568932   96.50000 4.900000   104.1000 5.400000   91.77213 2.331444   95.31367   2.473878 -3.541542 3.399368 
1 1 1    9    9    7 o 179.5433 2.035311  369.3627 5.857627   366.8000 10.80000   372.4000 12.80000   178.8818 2.636316   180.2049   3.101580 -1.323151 4.070622 
1 1 1    9    9    8 o 116.2348 1.752732  155.2473 3.242748   158.4000 5.900000   151.4000 7.200000   117.5626 2.191405   114.9070   2.736060 2.655571 3.505465 
1 1 1    9    9    9 o 118.3406 1.708946  160.5863 3.274809   162.4000 6.600000   158.8000 6.500000   119.0034 2.421722   117.6777   2.411897 1.325691 3.417892 
1 1 1    9    9   10 f 26.35321 3.425855  8.108772 1.403509   4.600000 2.500000   12.60000 3.200000   19.63782 5.393648   33.06861   4.225458 -13.43079 6.851710 
1 1 1    9    9   11 o 69.25963 1.790381  55.16000 1.988750   55.90000 3.700000   54.30000 4.300000   69.77991 2.315320   68.73933   2.731510 1.040581 3.580762 
1 1 1    9    9   12 o 66.18536 1.862175  50.74102 1.887179   52.30000 3.200000   48.50000 4.600000   67.48956 2.070394   64.88116   3.095843 2.608406 3.724349 
1 1 1    9    9   13 o 31.37476 3.396898  11.27681 1.663768   13.00000 4.100000   10.10000 2.800000   33.27275 5.380651   29.47676   4.147802 3.795992 6.793797 
1 1 1    9    9   14 o 57.66570 2.143247  38.47500 1.995000   39.00000 4.200000   38.00000 3.800000   58.01249 3.161313   57.31892   2.894845 0.6935654 4.286494 
1 1 1    9    9   15 o 48.88658 2.458900  27.62051 1.929487   31.70000 4.300000   24.30000 3.500000   52.09787 3.604028   45.67529   3.346003 6.422577 4.917800 
1 1 1    9    9   16 o 32.26906 3.351814  12.53571 1.744286   12.30000 3.300000   12.80000 3.700000   32.02724 4.499188   32.51088   4.969500 -0.4836426 6.703627 
1 1 1    9    9   17 o 17.56377 4.130214  3.752727 1.338182   3.000000 2.300000   4.800000 3.200000   15.80008 5.344969   19.32747   6.298094 -3.527386 8.260428 
1 1 1    9    9   18 o 16.94689 4.543956  3.241667 1.750000   4.200000 3.000000   1.900000 4.200000   17.90384 6.104152   15.98995   6.732716 1.913887 9.087912 
1 1 1    9    9   19 f 20.72223 4.790185  5.337349 2.038554   1.000000 3.600000   11.00000 4.700000   14.25807 6.125935   27.18639   7.365896 -12.92832 9.580371 
1 1 1    9   11    0 o 107.1590 1.671014  131.4362 2.892241   126.6000 5.500000   136.8000 6.100000   105.0877 2.285339   109.2303   2.438519 -4.142685 3.342028 
1 1 1    9   11    1 o 80.86246 1.852549  75.01340 2.424742   76.30000 4.800000   73.70000 4.900000   81.56581 2.569643   80.15910   2.669211 1.406708 3.705098 
1 1 1    9   11    2 o 16.81341 4.326915 0.9200001 1.866667   5.400000 3.500000  -4.200000 4.000000   21.53347 6.529615   12.09334   5.679165 9.440125 8.653831 
1 1 1    9   11    3 f 36.93124 3.757031  15.56000 2.210000   14.00000 3.900000   17.60000 5.100000   34.84402 4.887380   39.01845   5.707420 -4.174435 7.514062 
1 1 1    9   11    4 o 78.15016 2.034513  69.95393 2.487255   68.90000 4.300000   71.40000 5.900000   77.48779 2.423120   78.81253   3.268861 -1.324745 4.069025 
1 1 1    9   11    5 o 98.19667 1.855531  110.7559 2.949153   111.1000 5.800000   110.4000 6.000000   98.35736 2.574903   98.03597   2.672425 0.3213882 3.711062 
1 1 1    9   11    6 o 83.64574 1.864687  80.38812 2.522772   80.00000 4.900000   80.80000 5.200000   83.44572 2.564081   83.84576   2.708083 -0.4000320 3.729373 
1 1 1    9   11    7 o 63.68707 2.422623  46.63700 2.491000   43.30000 4.700000   50.40000 5.300000   61.28091 3.348978   66.09322   3.501536 -4.812313 4.845246 
1 1 1    9   11    8 o 25.61386 4.180787  7.941176 1.676471   7.500000 3.000000   8.500000 3.800000   24.87053 5.420245   26.35720   6.366857 -1.486677 8.361574 
1 1 1    9   11    9 o 20.82784 4.038327  3.773913 1.643478  -1.000000 2.700000   11.20000 4.200000   11.41588 5.090537   30.23980   6.270467 -18.82391 8.076653 
1 1 1    9   11   10 o 14.20267 3.657226 0.9471698 1.313208   3.800000 2.400000  -2.500000 2.900000   17.82329 5.407585   10.58206   4.925365 7.241230 7.314451 
1 1 1    9   11   11 o 44.88640 2.598061  23.48800 1.848000   23.40000 3.300000   23.60000 4.200000   44.88794 3.210140   44.88486   4.085912 0.3074646E-02 5.196121 
1 1 1    9   11   12 o 15.93078 4.117273  1.477273 1.643939   5.000000 3.100000  -2.500000 3.500000   20.05294 6.158062   11.80862   5.466810 8.244317 8.234546 
1 1 1    9   11   13 o 17.92528 4.500673  3.600000 1.636364   2.600000 3.000000   4.800000 3.600000   16.05150 6.025554   19.79906   6.687072 -3.747562 9.001346 
1 1 1    9   11   14 o 13.54027 3.903706  1.300000 1.348148   1.300000 2.600000   1.300000 2.800000   13.37792 5.431589   13.70261   5.608343 -0.3246889 7.807411 
1 1 1    9   11   15 o 36.11966 3.173801  16.27297 1.848649   17.10000 3.600000   15.40000 3.800000   37.23193 4.222082   35.00739   4.739839 2.224541 6.347602 
1 1 1    9   11   16 o 15.58877 4.179639  2.746552 1.422414   2.100000 2.500000   3.600000 3.300000   14.15200 5.455476   17.02554   6.333664 -2.873533 8.359278 
1 1 1    9   11   17 o 12.56652 3.980229 -0.7500000 1.750000   1.800000 3.500000  -3.300000 3.500000   14.53187 6.133889   10.60116   5.073883 3.930706 7.960457 
1 1 1    9   13    0 o 30.76463 3.915990  11.31316 1.878947   11.70000 4.200000   11.00000 3.400000   30.89141 6.152940   30.63784   4.845745 0.2535782 7.831980 
1 1 1    9   13    1 o 36.39896 3.098732  15.42329 1.808219   14.70000 3.300000   16.30000 4.000000   35.51225 4.057658   37.28568   4.684439 -1.773426 6.197464 
1 1 1    9   13    2 o 16.52227 4.581545  1.708219 1.767123   4.300000 4.300000 -0.1000000 3.000000   20.10303 7.270800   12.94152   5.576532 7.161505 9.163091 
1 1 1    9   13    3 o 43.74598 2.775419  22.63377 1.898701   24.40000 3.400000   20.40000 4.300000   45.84276 3.238529   41.64919   4.508184 4.193573 5.550838 
1 1 1    9   13    4 o 17.37885 4.848004  2.288889 2.024691   3.200000 4.100000   1.400000 4.000000   18.46517 7.018461   16.29253   6.689827 2.172638 9.696009 
1 1 1    9   13    5 o 53.60135 2.559947  33.18977 2.107955   31.40000 3.500000   35.90000 5.300000   51.99927 2.939074   55.20343   4.192273 -3.204163 5.119893 
1 1 1    9   13    6 o 19.47319 4.984115  4.117284 1.972839   2.900000 3.400000   5.800000 4.700000   17.04670 6.411646   21.89967   7.632588 -4.852976 9.968229 
1 1 1    9   13    7 o 51.44888 2.190654  30.94110 1.821918   33.70000 3.800000   28.40000 3.500000   53.65030 3.092795   49.24746   3.103301 4.402840 4.381308 
1 1 1    9   13    8 o 42.81043 3.072039  21.94286 2.057143   22.20000 3.600000   21.60000 4.800000   43.37641 3.624003   42.24445   4.961481 1.131962 6.144078 
1 1 1    9   13    9 o 45.44056 3.229481  25.36170 2.345745   20.00000 4.500000   31.20000 4.900000   40.19325 4.888764   50.68787   4.221159 -10.49462 6.458963 
1 1 1    9   13   10 o 13.36737 4.299800 -1.313415 2.045122  -2.100000 4.300000 -0.6000000 3.900000   13.15946 6.080653   13.57528   6.081018 -0.4158106 8.599600 
1 1 1    9   13   11 o 21.58415 4.564174  6.507042 1.771831   8.800000 3.700000   4.400000 3.400000   24.97352 6.430652   18.19478   6.478693 6.778740 9.128348 
1 1 1    9   13   12 o 35.31054 3.666084  15.01084 1.915663   9.300000 3.000000   25.10000 5.300000   26.58984 5.112262   44.03123   5.255993 -17.44139 7.332168 
1 1 1    9   13   13 o 11.65473 3.919910 -3.579013 2.017284 -0.5000000 4.300000  -6.300000 3.800000   13.57079 6.200495   9.738667   4.797566 3.832126 7.839820 
1 1 1    9   15    0 o 11.70051 3.787526 -2.600000 1.744286  0.7000000 3.300000  -6.300000 3.700000   13.62030 5.858900   9.780709   4.801531 3.839592 7.575052 
1 1 1    9   15    1 o 13.55938 4.269429 -2.863529 2.122353   3.400000 4.400000  -8.700000 4.100000   17.53739 7.084904   9.581372   4.766155 7.956016 8.538858 
1 1 1    9   15    2 o 18.70126 5.109243  4.413483 2.224719   3.200000 4.500000   5.600000 4.400000   17.38619 7.112229   20.01633   7.337142 -2.630136 10.21849 
1 1 1    9   15    3 o 15.60263 4.561978  2.063158 1.878947   2.600000 3.400000   1.400000 4.200000   15.79493 6.280011   15.41033   6.618764 0.3845978 9.123956 
1 1 1    9   15    4 o 21.34491 5.024122  6.378049 2.006098   4.500000 3.500000   8.900000 4.700000   18.38724 6.570499   24.30258   7.602352 -5.915340 10.04824 
1 1 1    9   15    5 o 18.94518 4.676867  4.413158 1.867105   1.200000 3.300000   8.600000 4.300000   13.97074 5.929743   23.91961   7.233983 -9.948876 9.353735 
1 1 1    9   15    6 o 21.27648 4.244062  6.097436 1.944872   11.60000 3.700000   0.000000 4.100000   28.80898 5.808611   13.74398   6.189371 15.06500 8.488125 
1 1 1   10    0    0 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   10    0    1 o 54.85064 1.195405  34.50000 1.500000   34.50000 1.500000   34.50000 1.500000   54.85064 1.195405   54.85064   1.195405 0.000000 0.000000 
1 1 1   10    0    2 f 80.03040 1.310263  73.40000 2.400000   73.40000 2.400000   73.40000 2.400000   80.03040 1.310263   80.03040   1.310263 0.000000 0.000000 
1 1 1   10    0    3 o 87.22270 1.553039  87.20000 3.100000   87.20000 3.100000   87.20000 3.100000   87.22270 1.553039   87.22270   1.553039 0.000000 0.000000 
1 1 1   10    0    4 o 444.1113 5.330748  2260.700 54.20000   2260.700 54.20000   2260.700 54.20000   444.1113 5.330748   444.1113   5.330748 0.000000 0.000000 
1 1 1   10    0    5 o 120.5373 1.848496  166.5000 5.100000   166.5000 5.100000   166.5000 5.100000   120.5373 1.848496   120.5373   1.848496 0.000000 0.000000 
1 1 1   10    0    6 o 437.8130 5.088073  2197.200 51.00000   2197.200 51.00000   2197.200 51.00000   437.8130 5.088073   437.8130   5.088073 0.000000 0.000000 
1 1 1   10    0    7 o 730.0607 8.376016  6114.900 140.0000   6114.900 140.0000   6114.900 140.0000   730.0607 8.376016   730.0607   8.376016 0.000000 0.000000 
1 1 1   10    0    8 o 177.6166 2.434867  361.5000 9.900000   361.5000 9.900000   361.5000 9.900000   177.6166 2.434867   177.6166   2.434867 0.000000 0.000000 
1 1 1   10    0    9 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   10    0   10 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   10    0   11 o 413.4642 5.007532  1959.400 47.40000   1959.400 47.40000   1959.400 47.40000   413.4642 5.007532   413.4642   5.007532 0.000000 0.000000 
1 1 1   10    0   12 o 331.1354 4.234470  1256.800 32.10000   1256.800 32.10000   1256.800 32.10000   331.1354 4.234470   331.1354   4.234470 0.000000 0.000000 
1 1 1   10    0   13 o 218.9264 2.953121  549.3000 14.80000   549.3000 14.80000   549.3000 14.80000   218.9264 2.953121   218.9264   2.953121 0.000000 0.000000 
1 1 1   10    0   14 o 175.1680 2.618744  351.7000 10.50000   351.7000 10.50000   351.7000 10.50000   175.1680 2.618744   175.1680   2.618744 0.000000 0.000000 
1 1 1   10    0   15 o 67.30969 2.407274  52.10000 3.700000   52.10000 3.700000   52.10000 3.700000   67.30969 2.407274   67.30969   2.407274 0.000000 0.000000 
1 1 1   10    0   16 o 100.0523 2.403486  114.9000 5.500000   114.9000 5.500000   114.9000 5.500000   100.0523 2.403486   100.0523   2.403486 0.000000 0.000000 
1 1 1   10    0   17 o 48.29228 2.732595  27.00000 3.000000   27.00000 3.000000   27.00000 3.000000   48.29228 2.732595   48.29228   2.732595 0.000000 0.000000 
1 1 1   10    0   18 o 59.64952 2.350811  41.00000 3.200000   41.00000 3.200000   41.00000 3.200000   59.64952 2.350811   59.64952   2.350811 0.000000 0.000000 
1 1 1   10    0   19 o 78.42416 2.399272  70.80000 4.300000   70.80000 4.300000   70.80000 4.300000   78.42416 2.399272   78.42416   2.399272 0.000000 0.000000 
1 1 1   10    0   20 o 37.47125 3.077567  16.50000 2.600000   16.50000 2.600000   16.50000 2.600000   37.47125 3.077567   37.47125   3.077567 0.000000 0.000000 
1 1 1   10    0   21 f 10.51160 6.749606 0.4000000 3.700000  0.4000000 3.700000  0.4000000 3.700000   10.51160 6.749606   10.51160   6.749606 0.000000 0.000000 
1 1 1   10    0   22 o 20.21471 7.764077  6.800000 3.400000   6.800000 3.400000   6.800000 3.400000   20.21471 7.764077   20.21471   7.764077 0.000000 0.000000 
1 1 1   10    0   23 o 10.24081 6.571327 0.7000000 3.500000  0.7000000 3.500000  0.7000000 3.500000   10.24081 6.571327   10.24081   6.571327 0.000000 0.000000 
1 1 1   10    0   24 o 6.430681 4.651450 -6.200000 3.600000  -6.200000 3.600000  -6.200000 3.600000   6.430681 4.651450   6.430681   4.651450 0.000000 0.000000 
1 1 1   10    2    0 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   10    2    1 o 212.7052 1.997650  518.0058 6.859636   515.1000 13.10000   521.2000 14.40000   212.0806 2.697181   213.3298   2.947479 -1.249237 3.995300 
1 1 1   10    2    2 o 371.8120 3.284057  1583.024 19.75828   1626.400 40.70000   1542.100 38.40000   376.7554 4.717094   366.8687   4.570465 9.886780 6.568114 
1 1 1   10    2    3 o 182.0197 1.857285  379.2032 5.469407   390.4000 11.30000   368.7000 10.60000   184.6210 2.672618   179.4184   2.579756 5.202682 3.714570 
1 1 1   10    2    4 o 297.7578 3.827516  0.000000 0.000000          ?        ?   1015.900 26.10000          ?        ?   297.7578   3.827516       ?       ? 
1 1 1   10    2    5 o 302.8965 3.223989  1050.500 13.99639   1047.600 21.80000   1055.700 39.10000   302.3954 3.147900   303.3976   5.627356 -1.002167 6.447977 
1 1 1   10    2    6 o 214.4733 2.456147  521.8491 7.522424   509.3000 11.60000   545.0000 21.40000   210.8708 2.402045   218.0759   4.284951 -7.205017 4.912294 
1 1 1   10    2    7 o 172.1436 2.203340  335.0934 5.639004   321.5000 9.000000   357.9000 15.10000   167.5434 2.345605   176.7439   3.730546 -9.200455 4.406681 
1 1 1   10    2    8 o 514.9933 4.851682  3028.057 36.44108   2988.100 57.50000   3097.200 99.50000   510.6012 4.917289   519.3853   8.365139 -8.784088 9.703364 
1 1 1   10    2    9 o 278.1812 2.889234  882.0056 11.62778   869.8000 18.20000   903.6000 32.20000   275.5702 2.883892   280.7921   5.007381 -5.221954 5.778469 
1 1 1   10    2   10 o 277.5400 2.861738  870.0088 11.57390   835.9000 18.10000   930.5000 32.10000   270.1428 2.925667   284.9372   4.919212 -14.79440 5.723475 
1 1 1   10    2   11 o 470.9077 4.453006  2527.291 30.71991   2479.500 48.60000   2609.400 83.50000   465.1066 4.562716   476.7088   7.648443 -11.60220 8.906013 
1 1 1   10    2   12 o 49.83341 2.249926  29.56471 1.605882   32.70000 2.600000   24.50000 4.200000   53.43202 2.124768   46.23480   3.966615 7.197224 4.499852 
1 1 1   10    2   13 o 232.7670 2.546696  621.9255 8.794102   624.4000 14.20000   617.9000 23.10000   233.4396 2.656156   232.0944   4.345973 1.345230 5.093392 
1 1 1   10    2   14 o 211.9079 2.354963  511.5898 7.288217   502.8000 11.50000   526.8000 19.90000   209.4910 2.397023   214.3249   4.054340 -4.833908 4.709925 
1 1 1   10    2   15 o 161.6056 2.028003  301.1971 4.893204   307.1000 8.000000   291.9000 12.60000   163.7051 2.133868   159.5061   3.449316 4.198990 4.056005 
1 1 1   10    2   16 o 161.3963 2.040224  302.6636 4.915049   315.6000 8.100000   282.7000 12.50000   165.9176 2.131731   156.8749   3.479335 9.042694 4.080447 
1 1 1   10    2   17 o 56.50137 2.275302  33.96667 1.866667   26.90000 2.800000   48.10000 5.600000   48.39900 2.526163   64.60374   3.785036 -16.20474 4.550604 
1 1 1   10    2   18 o 84.32181 2.052799  79.25370 2.329630   74.50000 3.400000   89.60000 7.400000   80.57159 1.842624   88.07202   3.668880 -7.500427 4.105599 
1 1 1   10    2   19 f 85.22738 1.897998  83.87029 2.344554   84.20000 3.700000   83.30000 6.400000   85.60473 1.887312   84.85003   3.293576 0.7546997 3.795996 
1 1 1   10    2   20 o 55.42192 2.460805  35.62414 2.091954   34.90000 3.500000   36.70000 5.200000   54.89824 2.783872   55.94560   4.058608 -1.047359 4.921610 
1 1 1   10    2   21 o 17.25680 4.910919  2.318072 1.886747   1.200000 2.900000   4.400000 5.400000   13.99554 5.715550   20.51806   7.987552 -6.522521 9.821838 
1 1 1   10    2   22 o 16.21519 4.631838  2.411842 1.603947   2.200000 2.300000   2.900000 5.300000   14.24235 5.289747   18.18802   7.604884 -3.945666 9.263676 
1 1 1   10    2   23 o 16.73773 4.963094  2.295402 1.781609  0.6000000 2.500000   6.500000 6.200000   12.11918 5.153079   21.35628   8.483808 -9.237098 9.926188 
1 1 1   10    4    0 o 283.0428 2.657182  915.7127 12.11211   882.3000 22.60000   954.3000 26.10000   277.5023 3.556163   288.5834   3.949198 -11.08115 5.314363 
1 1 1   10    4    1 o 48.68948 0.9860514  27.10645 0.7677419   26.70000 1.400000   27.60000 1.700000   48.28633 1.266029   49.09262   1.512072 -0.8062859 1.972103 
1 1 1   10    4    2 o 146.8457 1.503147  246.7441 3.570629   238.3000 6.900000   255.8000 7.400000   144.2450 2.088758   149.4465   2.162149 -5.201492 3.006293 
1 1 1   10    4    3 o 28.59991 1.507038  9.529630 0.6740741   6.400000 1.300000   12.90000 1.400000   23.63811 2.401432   33.56171   1.821477 -9.923592 3.014076 
1 1 1   10    4    4 o 281.1088 2.577299  905.5968 11.71599   912.5000 22.80000   898.3000 24.10000   282.2162 3.527708   280.0013   3.758345 2.214874 5.154598 
1 1 1   10    4    5 o 71.15343 1.194998  58.04000 1.374545   60.20000 2.700000   55.80000 2.800000   72.50368 1.626086   69.80318   1.751550 2.700500 2.389996 
1 1 1   10    4    6 o 346.3267 3.707783  1377.425 19.90207   1361.900 47.80000   1388.500 34.10000   344.5781 6.057312   348.0753   4.277803 -3.497284 7.415567 
1 1 1   10    4    7 o 167.9885 1.783374  323.0376 4.841753   318.1000 9.300000   328.4000 10.10000   166.6518 2.436759   169.3252   2.604590 -2.673416 3.566747 
1 1 1   10    4    8 o 199.3600 2.091232  455.3000 6.750000   465.5000 13.50000   445.1000 13.50000   201.5941 2.924123   197.1259   2.990403 4.468185 4.182464 
1 1 1   10    4    9 o 339.6681 2.918426  1322.160 16.04938   1339.700 31.90000   1304.400 32.30000   341.9384 4.073638   337.3977   4.180229 4.540710 5.836853 
1 1 1   10    4   10 o 169.8890 2.518840  330.6000 9.800000   330.6000 9.800000          ?        ?   169.8890 2.518840          ?          ?       ?       ? 
1 1 1   10    4   11 o 400.7515 4.259114  1848.931 27.01826   1890.300 48.50000   1796.900 61.00000   405.9453 5.216916   395.5576   6.733795 10.38779 8.518228 
1 1 1   10    4   12 o 246.4787 2.690218  698.7978 9.552058   704.5000 15.00000   688.8000 26.30000   247.9576 2.641518   244.9999   4.687373 2.957703 5.380435 
1 1 1   10    4   13 f 170.2012 2.033824  334.7238 5.227982   345.1000 8.700000   319.1000 13.10000   173.5626 2.188784   166.8399   3.428555 6.722687 4.067648 
1 1 1   10    4   14 o 247.2913 2.715173  696.2368 9.655582   681.7000 15.00000   722.5000 27.10000   243.8507 2.686006   250.7319   4.719537 -6.881241 5.430346 
1 1 1   10    4   15 o 29.15492 3.997447  10.34571 1.577143   11.10000 2.400000   8.900000 4.600000   31.08933 3.370851   27.22051   7.249531 3.868822 7.994895 
1 1 1   10    4   16 o 57.46928 2.297165  37.71463 1.843902   37.10000 2.800000   38.90000 5.400000   56.86317 2.150140   58.07539   4.060143 -1.212223 4.594329 
1 1 1   10    4   17 o 24.93309 3.985577  7.725000 1.500000   9.000000 2.400000   5.600000 4.000000   27.90934 3.754926   21.95684   7.031346 5.952499 7.971154 
1 1 1   10    4   18 o 146.5805 1.899523  247.9169 4.271186   249.3000 7.200000   245.9000 10.50000   147.2552 2.135018   145.9057   3.142365 1.349472 3.799047 
1 1 1   10    4   19 o 37.19138 2.580641  16.15000 1.550000   17.50000 3.100000   14.80000 3.100000   38.77639 3.490873   35.60637   3.801663 3.170013 5.161283 
1 1 1   10    4   20 o 23.11632 4.642577  6.754795 1.747945   6.000000 2.900000   7.900000 4.400000   21.71452 5.743293   24.51812   7.295798 -2.803596 9.285154 
1 1 1   10    4   21 o 17.32313 4.868832  2.720000 1.680000   1.400000 2.400000   5.800000 5.600000   13.22203 5.270200   21.42423   8.188230 -8.202199 9.737664 
1 1 1   10    4   22 o 25.17733 4.012744  8.439063 1.560938   7.300000 2.700000   10.00000 3.700000   23.47375 5.162892   26.88091   6.144349 -3.407156 8.025489 
1 1 1   10    4   23 o 13.26564 4.402384 -1.144318 1.944318  -2.100000 2.900000  0.8000000 5.900000   10.28121 4.830560   16.25008   7.361361 -5.968868 8.804768 
1 1 1   10    6    0 o 367.3042 3.148213  1546.077 18.72230   1540.100 37.00000   1552.200 37.90000   366.5887 4.407196   368.0197   4.496845 -1.431000 6.296426 
1 1 1   10    6    1 o 257.5076 3.086714  759.7800 12.12000   761.4000 30.30000   758.7000 20.20000   257.6873 5.134395   257.3279   3.427711 0.3594055 6.173428 
1 1 1   10    6    2 o 263.5539 2.385283  795.9280 10.17002   803.8000 19.90000   787.7000 20.80000   264.8903 3.280400   262.2176   3.463708 2.672729 4.770566 
1 1 1   10    6    3 o 508.9812 4.237324  2970.957 34.92484   2974.200 69.70000   2967.700 70.00000   509.2617 5.976288   508.7007   6.008629 0.5609741 8.474648 
1 1 1   10    6    4 o 398.5507 3.482335  1820.384 22.47475   1825.100 45.10000   1815.700 44.80000   399.0645 4.934840   398.0369   4.914670 1.027649 6.964670 
1 1 1   10    6    5 o 559.5952 5.682753  3588.836 49.47980   3560.300 84.90000   3628.700 118.6000   557.1453 6.653942   562.0450   9.214108 -4.899780 11.36551 
1 1 1   10    6    6 f 328.3094 2.868718  1235.061 15.24852   1241.200 30.20000   1228.800 30.80000   329.1360 4.006556   327.4828   4.106784 1.653198 5.737435 
1 1 1   10    6    7 o 564.5085 4.648886  3655.228 42.48494   3737.600 86.60000   3575.900 83.40000   570.7411 6.625497   558.2761   6.523141 12.46503 9.297772 
1 1 1   10    6    8 o 229.9215 2.372643  605.7679 8.809065   604.1000 18.40000   607.3000 16.90000   229.6116 3.499159   230.2314   3.205250 -0.6197510 4.745286 
1 1 1   10    6    9 o 52.54922 1.597621  31.52963 1.342593   39.80000 2.900000   24.40000 2.500000   58.94613 2.148238   46.15232   2.365300 12.79381 3.195242 
1 1 1   10    6   10 o 123.8532 1.633390  175.6641 3.270229   173.5000 6.300000   178.0000 6.800000   123.0625 2.235397   124.6440   2.382196 -1.581459 3.266780 
1 1 1   10    6   11 o 325.9214 3.025167  1215.815 15.85204   1256.200 34.40000   1181.300 29.40000   330.8945 4.539507   320.9483   3.999926 9.946167 6.050333 
1 1 1   10    6   12 o 111.2218 1.679767  141.3628 3.008265   135.3000 5.600000   148.4000 6.500000   108.6576 2.250441   113.7859   2.494391 -5.128304 3.359534 
1 1 1   10    6   13 o 190.8511 2.194554  418.1055 6.763838   420.6000 13.00000   415.4000 14.10000   191.4630 2.964820   190.2393   3.236373 1.223679 4.389108 
1 1 1   10    6   14 o 74.01787 2.002431  62.88854 2.398958   60.00000 4.700000   65.90000 4.900000   72.28201 2.839274   75.75372   2.824437 -3.471703 4.004862 
1 1 1   10    6   15 o 161.5909 1.939995  300.1951 5.071921   300.4000 10.40000   300.0000 9.900000   161.6289 2.809662   161.5528   2.675841 0.7603455E-01 3.879991 
1 1 1   10    6   16 f 13.36406 4.072626 -1.507042 1.766197  -5.200000 3.800000   1.700000 3.300000   11.01274 5.275082   15.71538   6.206340 -4.702644 8.145252 
1 1 1   10    6   17 o 33.78231 3.223616  12.62113 1.673239   8.400000 2.700000   19.50000 4.400000   26.79794 4.399487   40.76667   4.712888 -13.96873 6.447232 
1 1 1   10    6   18 o 57.75331 3.154492  36.15000 2.100000   32.50000 2.800000   47.10000 8.400000   53.05296 2.304560   62.45367   5.873013 -9.400711 6.308985 
1 1 1   10    6   19 o 26.50204 4.070178  9.573529 1.522059   11.40000 2.300000   6.000000 4.500000   31.17698 3.221318   21.82710   7.475862 9.349880 8.140356 
1 1 1   10    6   20 o 62.09365 2.500380  44.79375 2.062500   42.20000 3.000000   50.50000 6.600000   60.17330 2.176994   64.01400   4.502033 -3.840702 5.000760 
1 1 1   10    6   21 o 21.74277 4.652557  6.679268 1.874390   8.200000 2.900000   3.900000 5.300000   24.87131 5.255969   18.61425   7.678538 6.257059 9.305115 
1 1 1   10    6   22 o 43.40533 3.078511  22.96353 1.910588   20.20000 2.900000   28.30000 5.600000   40.84124 3.100550   45.96941   5.319353 -5.128162 6.157023 
1 1 1   10    8    0 o 251.0700 2.410563  722.2000 9.800000   732.4000 19.60000   712.0000 19.60000   252.8440 3.384878   249.2961   3.433052 3.547958 4.821125 
1 1 1   10    8    1 o 294.9576 2.643345  996.8633 12.62376   998.2000 25.00000   995.5000 25.50000   295.1594 3.698479   294.7559   3.777612 0.4034729 5.286691 
1 1 1   10    8    2 o 293.7271 2.649690  988.2232 12.58393   1000.600 26.10000   976.7000 24.30000   295.4961 3.856812   291.9580   3.634340 3.538086 5.299380 
1 1 1   10    8    3 f 175.1208 1.745466  351.1848 4.947980   357.0000 10.10000   345.6000 9.700000   176.5409 2.498134   173.7007   2.438428 2.840210 3.490932 
1 1 1   10    8    4 o 497.9336 4.142322  2843.741 33.37575   2889.800 68.60000   2800.100 65.00000   501.8397 5.968962   494.0276   5.745156 7.812073 8.284644 
1 1 1   10    8    5 o 249.9956 2.403136  716.2373 9.717223   715.8000 18.90000   716.7000 20.00000   249.9230 3.302138   250.0682   3.492298 -0.1451721 4.806273 
1 1 1   10    8    6 o 125.1763 1.505805  179.5393 3.046721   180.7000 5.900000   178.3000 6.300000   125.5966 2.051227   124.7559   2.205053 0.8406830 3.011609 
1 1 1   10    8    7 o 312.3610 2.795046  1119.311 14.10903   1129.700 27.30000   1108.200 29.20000   313.8796 3.797863   310.8423   4.101875 3.037262 5.590093 
1 1 1   10    8    8 o 100.5667 1.667189  115.5500 2.654629   113.2000 4.700000   118.6000 6.100000   99.40286 2.064613   101.7306   2.618291 -2.327751 3.334377 
1 1 1   10    8    9 o 36.70184 3.009948  15.55915 1.771831   14.10000 3.700000   16.90000 3.400000   35.03182 4.611888   38.37186   3.869062 -3.340046 6.019897 
1 1 1   10    8   10 o 159.7323 1.973313  292.5348 5.087745   295.0000 10.70000   290.3000 9.700000   160.3616 2.913554   159.1029   2.662155 1.258713 3.946627 
1 1 1   10    8   11 o 51.42584 2.388637  30.93117 1.870130   33.30000 3.200000   27.60000 4.500000   53.87332 2.593678   48.97836   4.011880 4.894955 4.777274 
1 1 1   10    8   12 o 66.53822 2.051513  51.13908 2.126437   52.50000 3.700000   49.30000 5.000000   67.62479 2.389107   65.45166   3.335716 2.173126 4.103027 
1 1 1   10    8   13 o 25.42726 3.744049  8.014754 1.521312   11.20000 2.900000   4.500000 3.200000   31.11563 4.069669   19.73889   6.285652 11.37674 7.488099 
1 1 1   10    8   14 o 79.43333 1.884733  72.85000 2.362500   71.50000 5.400000   73.90000 4.200000   78.71354 2.995601   80.15312   2.288066 -1.439583 3.769466 
1 1 1   10    8   15 f 56.90149 2.027384  37.57432 1.828378   38.60000 3.300000   36.30000 4.100000   57.84387 2.491129   55.95911   3.199284 1.884766 4.054768 
1 1 1   10    8   16 o 28.33808 3.470041  9.719356 1.548387   10.30000 3.000000   9.100000 3.200000   29.52430 4.436917   27.15186   5.336524 2.372442 6.940081 
1 1 1   10    8   17 o 26.47327 3.748906  8.766666 1.574603   10.90000 3.200000   6.700000 3.100000   30.09684 4.642681   22.84971   5.887504 7.247133 7.497812 
1 1 1   10    8   18 o 22.43798 4.143691  6.626229 1.491803   6.200000 2.600000   7.200000 3.500000   21.83358 5.261748   23.04238   6.402709 -1.208803 8.287381 
1 1 1   10    8   19 o 24.92132 4.303648  8.617392 1.721739   9.000000 3.300000   8.200000 3.600000   25.74649 5.742829   24.09615   6.411352 1.650341 8.607295 
1 1 1   10    8   20 o 17.44282 4.154824  3.235714 1.727143   7.000000 3.100000  -1.500000 3.900000   22.33142 5.953133   12.55422   5.797452 9.777197 8.309648 
1 1 1   10   10    0 o 111.8986 1.821113  143.4394 3.299242   147.5000 6.700000   139.5000 6.500000   113.4584 2.578564   110.3388   2.572319 3.119545 3.642227 
1 1 1   10   10    1 o 124.8085 1.810055  178.0849 3.616438   173.7000 6.600000   183.4000 8.000000   123.1215 2.340721   126.4954   2.761563 -3.373856 3.620111 
1 1 1   10   10    2 o 86.88223 1.839046  86.96863 2.501961   89.60000 4.400000   83.50000 5.800000   88.42691 2.172741   85.33754   2.967752 3.089371 3.678091 
1 1 1   10   10    3 o 152.4439 1.857913  266.5743 4.558470   269.3000 8.600000   263.5000 9.700000   153.2845 2.449853   151.6033   2.793848 1.681137 3.715826 
1 1 1   10   10    4 o 75.63902 1.898123  65.58817 2.324731   66.70000 4.700000   64.50000 4.600000   76.27301 2.690709   75.00504   2.677979 1.267975 3.796246 
1 1 1   10   10    5 o 89.82469 1.650604  92.51458 2.398958   93.20000 4.700000   91.80000 4.900000   90.16719 2.276088   89.48219   2.391108 0.6849976 3.301208 
1 1 1   10   10    6 o 86.76485 1.733367  86.15154 2.393815   84.60000 4.300000   88.10000 5.400000   85.89983 2.185827   87.62986   2.690799 -1.730026 3.466734 
1 1 1   10   10    7 o 51.09024 2.282106  30.15200 1.872000   32.60000 3.600000   27.50000 3.900000   53.27694 2.950550   48.90353   3.482283 4.373405 4.564213 
1 1 1   10   10    8 o 55.63763 2.080223  35.89730 1.837838   32.60000 4.000000   38.70000 3.400000   53.22655 3.281492   58.04871   2.557561 -4.822159 4.160446 
1 1 1   10   10    9 o 33.68200 2.656509  12.86552 1.406897   11.50000 2.400000   14.80000 3.400000   31.59042 3.317382   35.77358   4.150077 -4.183161 5.313019 
1 1 1   10   10   10 o 24.70421 3.952004  7.350770 1.624615   10.60000 3.300000   4.200000 3.200000   30.18687 4.773484   19.22154   6.299777 10.96534 7.904007 
1 1 1   10   10   11 o 108.3237 1.732030  134.2859 2.965289   129.0000 5.200000   141.3000 6.900000   105.9248 2.143608   110.7226   2.721150 -4.797806 3.464061 
1 1 1   10   10   12 o 55.24574 2.318026  35.31325 2.067470   32.40000 3.900000   38.60000 4.400000   52.84158 3.222764   57.64989   3.332682 -4.808304 4.636052 
1 1 1   10   10   13 o 22.79007 4.470135  6.427536 1.707246   8.300000 3.800000   4.900000 3.100000   25.58833 6.478291   19.99182   6.161183 5.596506 8.940270 
1 1 1   10   10   14 o 23.36000 3.811589  5.697260 1.783562 -0.8000000 3.100000   14.50000 4.200000   12.25085 5.459336   34.46915   5.320573 -22.21830 7.623178 
1 1 1   10   10   15 o 50.84958 2.483176  30.72222 2.000000   31.30000 3.600000   30.00000 4.500000   51.60299 3.046262   50.09617   3.922363 1.506824 4.966351 
1 1 1   10   10   16 o 27.35522 4.084054  9.942857 1.737143   9.400000 3.800000   10.40000 3.200000   26.25322 6.382371   28.45723   5.097384 -2.204006 8.168108 
1 1 1   10   10   17 o 26.44463 3.846785  9.690909 1.648485   4.900000 3.400000   14.20000 3.200000   18.96414 6.498208   33.92512   4.118778 -14.96098 7.693571 
1 1 1   10   10   18 o 28.82360 3.996713  11.46667 1.777778   10.40000 3.200000   12.80000 4.000000   27.64428 5.246487   30.00291   6.030691 -2.358629 7.993425 
1 1 1   10   12    0 o 37.93460 3.109149  16.68289 1.898684   19.30000 3.900000   14.20000 3.700000   40.85930 4.167862   35.00990   4.614775 5.849400 6.218297 
1 1 1   10   12    1 o 45.42892 2.670580  24.16623 1.924675   29.20000 3.800000   19.00000 3.900000   50.33577 3.296450   40.52207   4.202549 9.813705 5.341161 
1 1 1   10   12    2 o 25.37391 4.337372  7.869014 1.774648   6.500000 3.600000   9.200000 3.500000   23.18076 6.512168   27.56707   5.730867 -4.386312 8.674744 
1 1 1   10   12    3 o 88.66899 1.775057  90.16470 2.541177   84.80000 4.800000   96.20000 5.400000   85.88416 2.440439   91.45382   2.578289 -5.569664 3.550115 
1 1 1   10   12    4 o 58.82369 2.213115  39.80119 2.070238   38.70000 3.700000   41.20000 4.700000   57.95147 2.787899   59.69591   3.437898 -1.744446 4.426231 
1 1 1   10   12    5 o 74.38083 1.892635  63.78022 2.268132   64.30000 4.300000   63.20000 4.800000   74.72929 2.512565   74.03236   2.831127 0.6969299 3.785269 
1 1 1   10   12    6 o 9.835785 3.331190 -4.203279 1.521312  -5.200000 3.200000  -3.300000 2.900000   9.637345 4.671829   10.03422   4.749875 -0.3968782 6.662380 
1 1 1   10   12    7 o 48.97429 2.331154  27.72973 1.837838   25.80000 3.400000   30.00000 4.000000   47.15911 3.148133   50.78947   3.438951 -3.630363 4.662309 
1 1 1   10   12    8 f 54.14280 2.420805  33.76471 2.089412   30.50000 3.700000   38.00000 4.800000   51.23887 3.153130   57.04672   3.674094 -5.807854 4.841611 
1 1 1   10   12    9 o 28.01343 3.927987  9.717143 1.744286   6.700000 3.300000   13.10000 3.700000   22.95640 6.152159   33.07046   4.885413 -10.11405 7.855973 
1 1 1   10   12   10 o 34.76354 3.581016  14.98831 1.924675   12.00000 3.900000   17.90000 3.800000   30.81189 5.738098   38.71519   4.285899 -7.903296 7.162032 
1 1 1   10   12   11 o 36.51044 3.238676  16.25789 1.894737   17.30000 3.600000   15.10000 4.000000   37.94060 4.143220   35.08028   4.978937 2.860321 6.477352 
1 1 1   10   12   12 o 28.10844 4.435981  10.69250 1.938750   11.60000 3.300000   9.400000 4.700000   30.60625 4.708077   25.61064   7.519688 4.995605 8.871962 
1 1 1   10   12   13 o 28.14514 4.159251  10.69868 1.888158   15.50000 4.100000   6.600000 3.500000   34.71067 5.157754   21.57961   6.526487 13.13105 8.318501 
1 1 1   10   12   14 o 18.60157 4.667507  4.201250 1.988750   7.300000 3.700000  0.6000000 4.300000   22.45478 6.692265   14.74836   6.508153 7.706421 9.335013 
1 1 1   10   14    0 o 21.25569 4.806771  5.660759 1.949367   7.300000 3.500000   3.600000 4.400000   23.72427 6.326086   18.78712   7.238841 4.937155 9.613542 
1 1 1   10   14    1 o 17.52502 4.593219  2.700000 1.894737   5.400000 3.600000 -0.3000000 4.000000   20.68188 6.675522   14.36816   6.310948 6.313713 9.186439 
1 1 1   10   14    2 o 17.71661 4.744421  3.192000 1.874667   2.600000 3.700000   3.800000 3.800000   16.90218 6.602939   18.53105   6.814640 -1.628876 9.488842 
1 1 1   10   14    3 o 17.73542 4.726572  3.348649 1.848649   3.300000 3.600000   3.400000 3.800000   17.57481 6.600022   17.89604   6.767690 -0.3212299 9.453143 
1 1 1   10   14    4 o 27.60339 4.092567  9.852113 1.757746   8.500000 3.200000   11.50000 3.900000   25.56154 5.619513   29.64525   5.951260 -4.083715 8.185134 
1 1 1   10   14    5 o 51.98286 2.483503  32.51446 2.067470   30.50000 4.400000   34.30000 3.900000   50.24334 3.823965   53.72237   3.169926 -3.479031 4.967005 
1 1 1   10   14    6 o 25.56109 4.629951  9.055555 2.024691   12.70000 4.100000   5.500000 4.000000   30.88455 6.013014   20.23763   7.041979 10.64692 9.259903 
1 1 1   10   14    7 o 22.21872 4.847604  7.088889 2.022222   9.400000 3.900000   4.600000 4.200000   25.70136 6.593620   18.73607   7.107830 6.965294 9.695209 
1 1 1   10   14    8 o 54.05783 2.393240  34.77738 2.070238   41.10000 4.700000   29.80000 3.700000   58.28337 3.521218   49.83229   3.242131 8.451084 4.786480 
1 1 1   10   14    9 o 22.23489 5.116478  7.229412 1.995294   6.100000 3.200000   9.100000 5.300000   20.70155 6.235943   23.76823   8.113348 -3.066679 10.23296 
1 1 1   10   14   10 o 25.05592 5.034050  9.225842 2.101124   5.100000 3.400000   15.90000 5.500000   18.64159 6.492058   31.47025   7.695441 -12.82866 10.06810 
1 1 1   11    1    0 o 382.4821 3.717078  1663.673 20.27987   1633.500 31.30000   1719.200 57.60000   377.6484 3.619065   387.3159   6.493770 -9.667480 7.434156 
1 1 1   11    1    1 o 550.6955 5.146037  3474.300 64.90000   3474.300 64.90000          ?        ?   550.6955 5.146037          ?          ?       ?       ? 
1 1 1   11    1    2 o 245.0630 2.609952  687.8256 10.03049   687.1000 17.50000   688.8000 23.50000   244.9253 3.119924   245.2006   4.184909 -0.2752533 5.219903 
1 1 1   11    1    3 o 404.7989 3.447350  1877.154 22.58661   1827.200 44.10000   1929.600 46.30000   399.2850 4.822756   410.3127   4.927262 -11.02777 6.894700 
1 1 1   11    1    4 o 169.9661 1.716837  330.5000 4.714286   321.5000 9.000000   340.4000 9.900000   167.5405 2.345645   172.3916   2.507602 -4.851120 3.433675 
1 1 1   11    1    5 o 447.0882 3.851225  2292.778 27.87390   2336.800 55.40000   2248.200 56.10000   451.4191 5.358825   442.7574   5.532696 8.661743 7.702449 
1 1 1   11    1    6 f 340.5308 3.010368  1328.921 16.59985   1322.000 33.30000   1335.800 33.10000   339.6452 4.281130   341.4164   4.233342 -1.771179 6.020736 
1 1 1   11    1    7 o 634.2314 5.191373  4612.965 53.27548   4766.300 109.9000   4468.700 103.4000   644.4329 7.446629   624.0299   7.235271 20.40295 10.38275 
1 1 1   11    1    8 o 575.9349 4.658744  3803.987 43.44793   3849.700 87.50000   3758.900 86.30000   579.3707 6.594642   572.4990   6.582271 6.871704 9.317489 
1 1 1   11    1    9 o 62.43791 1.112575  44.62667 1.124444   43.60000 2.200000   45.70000 2.300000   61.70371 1.556866   63.17212   1.589799 -1.468407 2.225149 
1 1 1   11    1   10 o 171.8681 1.724550  338.1990 4.797916   345.6000 9.800000   331.1000 9.400000   173.7092 2.463445   170.0269   2.414071 3.682358 3.449101 
1 1 1   11    1   11 o 365.4780 3.062359  1530.615 18.12083   1566.400 36.80000   1495.900 35.70000   369.6843 4.346669   361.2717   4.314933 8.412598 6.124718 
1 1 1   11    1   12 o 167.3542 1.762729  320.9262 4.773822   316.0000 9.700000   325.7000 9.400000   166.0877 2.550198   168.6207   2.434202 -2.532990 3.525458 
1 1 1   11    1   13 o 121.2136 1.556210  168.0016 3.029508   164.1000 5.600000   172.6000 6.600000   119.6874 2.043051   122.7398   2.348000 -3.052399 3.112421 
1 1 1   11    1   14 o 205.1068 2.054840  482.0938 6.822711   476.4000 13.40000   488.0000 13.90000   203.8757 2.869981   206.3380   2.941544 -2.462250 4.109681 
1 1 1   11    1   15 o 149.8937 1.730467  257.5565 4.199405   257.0000 8.500000   258.1000 8.300000   149.7316 2.478822   150.0558   2.415266 -0.3242493 3.460935 
1 1 1   11    1   16 o 87.11985 1.560433  86.87614 2.189773   89.60000 4.700000   84.50000 4.100000   88.38960 2.321862   85.85010   2.085368 2.539505 3.120866 
1 1 1   11    1   17 o 46.71649 2.632198  25.50000 1.950000   31.40000 3.900000   19.60000 3.900000   52.23119 3.260427   41.20179   4.133217 11.02939 5.264396 
1 1 1   11    1   18 o 71.07458 1.828892  57.82262 2.070238   55.40000 3.700000   60.90000 4.700000   69.42471 2.327166   72.72445   2.822001 -3.299736 3.657784 
1 1 1   11    1   19 o 90.16452 1.628547  93.70211 2.372632   95.30000 4.600000   92.00000 4.900000   90.98048 2.207747   89.34856   2.394684 1.631927 3.257094 
1 1 1   11    1   20 o 21.93516 4.231215  5.605634 1.771831   1.200000 3.400000   10.40000 3.700000   15.00037 6.164470   28.86994   5.797590 -13.86957 8.462431 
1 1 1   11    1   21 o 75.16930 1.922820  66.08279 2.324731   73.70000 4.600000   58.30000 4.700000   79.65556 2.521631   70.68304   2.903503 8.972511 3.845641 
1 1 1   11    1   22 o 49.81671 1.925247  29.22903 1.548387   30.10000 3.000000   28.30000 3.200000   50.64936 2.586348   48.98406   2.852561 1.665298 3.850494 
1 1 1   11    1   23 o 19.01600 4.812556  4.700000 1.909091   7.100000 4.200000   2.700000 3.500000   22.03303 7.217111   15.99898   6.368366 6.034043 9.625112 
1 1 1   11    3    0 o 468.6687 3.893571  2517.796 29.54966   2518.900 59.30000   2516.700 58.90000   468.7695 5.523763   468.5679   5.488864 0.2016296 7.787142 
1 1 1   11    3    1 o 60.92027 1.361857  42.50000 1.900000   42.50000 1.900000          ?        ?   60.92027 1.361857          ?          ?       ?       ? 
1 1 1   11    3    2 o 333.0914 2.971335  1271.315 16.01622   1263.600 31.30000   1279.400 32.80000   332.0621 4.115899   334.1207   4.286573 -2.058533 5.942670 
1 1 1   11    3    3 o 276.7482 2.538252  877.5576 11.37451   876.4000 22.90000   878.7000 22.60000   276.5656 3.615572   276.9308   3.563501 -0.3652039 5.076504 
1 1 1   11    3    4 o 375.7518 3.402661  1618.261 20.68539   1609.500 40.30000   1627.500 42.50000   374.7169 4.696145   376.7867   4.925304 -2.069824 6.805322 
1 1 1   11    3    5 o 182.6881 1.826329  382.4111 5.398148   388.3000 10.60000   376.3000 11.00000   184.1232 2.513837   181.2530   2.650008 2.870178 3.652659 
1 1 1   11    3    6 o 232.5159 2.137873  619.0944 8.045031   607.1000 15.70000   631.7000 16.50000   230.2086 2.977953   234.8232   3.068192 -4.614685 4.275747 
1 1 1   11    3    7 o 738.4298 7.244315  6290.968 83.82521   6111.700 194.7000   6426.500 147.2000   728.7317 11.66643   748.1279   8.591554 -19.39618 14.48863 
1 1 1   11    3    8 o 367.2031 3.977743  1546.280 22.61330   1549.800 38.60000   1541.300 54.60000   367.7704 4.583003   366.6358   6.502756 1.134644 7.955486 
1 1 1   11    3    9 o 242.0569 2.644938  663.8356 9.112220   646.1000 14.00000   696.9000 26.10000   237.5100 2.573865   246.6038   4.621473 -9.093811 5.289877 
1 1 1   11    3   10 o 477.5050 4.592584  2615.938 32.30312   2615.300 51.70000   2617.000 86.10000   477.6540 4.726252   477.3561   7.875904 0.2978516 9.185168 
1 1 1   11    3   11 o 464.6735 4.466074  2486.645 30.41709   2511.600 48.60000   2444.900 81.30000   468.0600 4.533926   461.2869   7.695895 6.773071 8.932149 
1 1 1   11    3   12 o 166.3599 2.033318  316.0420 4.903302   313.1000 7.700000   321.2000 13.50000   165.3281 2.033685   167.3916   3.521598 -2.063538 4.066636 
1 1 1   11    3   13 o 90.69695 1.607154  94.81868 2.129670   96.50000 3.400000   92.00000 5.700000   91.79025 1.617417   89.60363   2.777723 2.186623 3.214309 
1 1 1   11    3   14 o 225.3337 2.459857  577.9894 8.010057   566.1000 12.50000   599.2000 22.30000   222.2409 2.455985   228.4264   4.262832 -6.185547 4.919715 
1 1 1   11    3   15 o 207.2219 2.366137  497.0223 7.113443   508.1000 11.30000   478.2000 19.20000   210.5077 2.343960   203.9361   4.110993 6.571548 4.732274 
1 1 1   11    3   16 o 56.53042 1.860907  36.71177 1.694118   36.90000 3.200000   36.50000 3.600000   56.69459 2.464609   56.36625   2.788836 0.3283386 3.721815 
1 1 1   11    3   17 o 81.44562 1.809167  75.49355 2.156989   73.30000 3.400000   79.30000 5.900000   79.92238 1.857592   82.96886   3.105107 -3.046478 3.618334 
1 1 1   11    3   18 o 68.13583 2.007662  53.95814 2.055814   55.50000 3.400000   51.60000 5.200000   69.48054 2.136759   66.79114   3.399572 2.689400 4.015324 
1 1 1   11    3   19 o 12.58305 3.880016 -0.4644068 1.423729  -1.400000 2.400000  0.9000000 3.500000   10.22064 4.655228   14.94546   6.208619 -4.724826 7.760032 
1 1 1   11    3   20 o 39.40173 3.172207  18.40390 1.722078   18.10000 2.600000   19.00000 5.100000   39.40619 2.881035   39.39727   5.652541 0.8914948E-02 6.344413 
1 1 1   11    3   21 o 13.62557 4.177868 -0.1679999 1.698667   1.600000 2.600000  -3.500000 4.900000   13.83772 5.494903   13.41341   6.294789 0.4243164 8.355737 
1 1 1   11    3   22 o 15.51805 4.625942  1.862500 1.875000   1.900000 3.000000   1.800000 5.000000   14.46880 5.848436   16.56729   7.168902 -2.098487 9.251884 
1 1 1   11    3   23 o 26.87551 3.969914  8.305952 1.898810  0.4000000 2.900000   23.30000 5.500000   12.40545 5.413018   41.34558   5.808625 -28.94013 7.939829 
1 1 1   11    5    0 o 109.6192 1.240337  136.7670 2.171591   146.4000 4.900000   129.1000 3.900000   113.0631 1.892408   106.1752   1.603914 6.887886 2.480675 
1 1 1   11    5    1 o 166.4571 1.762411  317.1053 4.741579   310.4000 9.100000   324.4000 9.900000   164.6227 2.413745   168.2914   2.568697 -3.668686 3.524822 
1 1 1   11    5    2 o 232.8793 2.221402  621.1923 8.368956   619.1000 16.30000   623.4000 17.20000   232.4786 3.061570   233.2799   3.219518 -0.8012695 4.442804 
1 1 1   11    5    3 o 89.25819 1.193385  91.22319 1.724638   93.10000 3.500000   89.40000 3.400000   90.16304 1.695037   88.35336   1.680334 1.809685 2.386770 
1 1 1   11    5    4 o 294.8947 3.785076  996.7070 18.07220   1024.600 36.60000   969.5000 35.70000   298.9702 5.345557   290.8193   5.360245 8.150818 7.570152 
1 1 1   11    5    5 o 304.3370 2.709073  1061.267 13.34981   1083.400 26.80000   1039.300 26.60000   307.5000 3.805655   301.1740   3.856593 6.325958 5.418147 
1 1 1   11    5    6 o 327.5880 3.630975  1216.957 18.01186   1291.700 46.50000   1169.700 29.40000   335.6537 6.049245   319.5222   4.017778 16.13147 7.261950 
1 1 1   11    5    7 o 501.7407 4.233807  2886.019 34.39120   2919.800 69.90000   2853.300 67.70000   504.6237 6.048522   498.8576   5.925865 5.766113 8.467614 
1 1 1   11    5    8 o 382.3728 3.390760  1672.466 20.93143   1754.500 44.40000   1599.300 39.60000   391.2108 4.955778   373.5348   4.629178 17.67599 6.781521 
1 1 1   11    5    9 o 131.6521 1.594709  198.4103 3.397059   203.3000 7.000000   193.8000 6.600000   133.2264 2.294285   130.0777   2.215546 3.148727 3.189418 
1 1 1   11    5   10 o 107.6713 1.567436  132.7339 2.706422   132.0000 5.000000   133.6000 5.900000   107.3502 2.033793   107.9924   2.385604 -0.6422119 3.134872 
1 1 1   11    5   11 f 154.3171 1.750560  272.4126 4.363429   283.4000 9.200000   262.5000 8.300000   157.2692 2.554369   151.3651   2.394375 5.904190 3.501119 
1 1 1   11    5   12 o 132.4005 1.725842  200.9000 3.700000   198.0000 7.400000   203.8000 7.400000   131.4440 2.458276   133.3569   2.423014 -1.912827 3.451683 
1 1 1   11    5   13 o 99.99879 1.670206  114.7500 2.700000   122.5000 5.400000   107.0000 5.400000   103.3829 2.280787   96.61467   2.440565 6.768250 3.340411 
1 1 1   11    5   14 f 123.3676 1.660001  174.0654 3.099231   172.3000 5.100000   176.8000 7.900000   122.6105 1.816277   124.1248   2.779126 -1.514275 3.320001 
1 1 1   11    5   15 o 74.90895 1.579019  64.34595 1.714865   64.20000 2.700000   64.60000 4.700000   74.83533 1.575422   74.98258   2.737015 -0.1472549 3.158038 
1 1 1   11    5   16 o 69.76400 2.224394  56.52681 2.288660   57.90000 3.700000   54.30000 6.000000   70.98963 2.275865   68.53837   3.822586 2.451263 4.448789 
1 1 1   11    5   17 o 95.56511 2.095641  105.8475 2.688524   106.7000 4.000000   104.1000 8.200000   96.38889 1.812061   94.74133   3.779324 1.647560 4.191283 
1 1 1   11    5   18 o 63.21204 2.149979  45.85116 2.009302   44.40000 3.200000   48.30000 5.400000   62.05763 2.251617   64.36645   3.663312 -2.308819 4.299958 
1 1 1   11    5   19 o 51.21833 2.655620  29.37674 1.852326   26.30000 2.700000   36.10000 5.900000   47.60474 2.476585   54.83192   4.698490 -7.227177 5.311241 
1 1 1   11    5   20 o 24.97913 4.427342  8.026667 1.834667   4.400000 3.200000   12.90000 4.300000   18.65566 6.304614   31.30260   6.217497 -12.64694 8.854684 
1 1 1   11    5   21 o 23.48952 4.796820  7.885185 1.861728   8.100000 2.900000   7.500000 5.200000   24.68683 5.288703   22.29222   8.004221 2.394613 9.593640 
1 1 1   11    5   22 o 23.09255 4.307190  7.742029 1.663768   9.000000 2.800000   5.900000 4.100000   26.15014 4.854166   20.03495   7.116504 6.115192 8.614381 
1 1 1   11    7    0 o 57.12545 1.190508  37.40000 1.100000   39.50000 2.200000   35.30000 2.200000   58.73065 1.635677   55.52024   1.730259 3.210403 2.381016 
1 1 1   11    7    1 o 116.9655 1.821549  156.9080 3.383942   154.8000 7.600000   158.6000 6.100000   116.2531 2.854624   117.6779   2.263469 -1.424866 3.643098 
1 1 1   11    7    2 o 38.90535 1.967490  17.44694 1.212245   18.30000 2.200000   16.40000 2.700000   39.97271 2.403249   37.83800   3.115841 2.134712 3.934981 
1 1 1   11    7    3 o 582.3230 5.933424  3886.751 53.21180   3856.600 89.80000   3930.600 130.6000   579.8334 6.762587   584.8126   9.751383 -4.979187 11.86685 
1 1 1   11    7    4 o 97.37027 1.427121  108.4800 2.245556   111.3000 4.700000   105.9000 4.300000   98.58030 2.081840   96.16025   1.952597 2.420052 2.854241 
1 1 1   11    7    5 o 505.0457 4.261266  2926.400 34.85000   2951.300 69.70000   2901.500 69.70000   507.1985 6.000597   502.8929   6.051973 4.305634 8.522532 
1 1 1   11    7    6 o 196.4913 1.949120  442.3661 6.198387   438.2000 12.60000   446.4000 12.20000   195.5788 2.813122   197.4038   2.698634 -1.825043 3.898240 
1 1 1   11    7    7 o 141.1245 1.597121  228.1123 3.649315   230.9000 7.400000   225.4000 7.200000   141.9746 2.275939   140.2744   2.241268 1.700241 3.194242 
1 1 1   11    7    8 o 172.6217 1.958975  341.5265 5.474886   347.3000 10.90000   335.7000 11.00000   174.0894 2.733970   171.1539   2.806374 2.935516 3.917949 
1 1 1   11    7    9 o 103.2142 1.575244  121.4438 2.584762   127.4000 5.900000   116.8000 4.600000   105.4505 2.443110   100.9779   1.989167 4.472656 3.150487 
1 1 1   11    7   10 o 195.1442 2.009888  436.5764 6.346457   435.6000 12.40000   437.6000 13.00000   194.9262 2.777737   195.3622   2.905645 -0.4360199 4.019775 
1 1 1   11    7   11 o 19.16196 4.150371  4.013114 1.521312   1.600000 3.200000   6.200000 2.900000   15.57549 6.124128   22.74843   5.603334 -7.172945 8.300741 
1 1 1   11    7   12 o 52.91806 2.513792  32.80476 2.095238   38.90000 4.000000   26.10000 4.400000   58.20800 3.000662   47.62812   4.033936 10.57988 5.027585 
1 1 1   11    7   13 o 48.15099 1.762609  26.56000 1.370909   25.00000 2.600000   28.30000 2.900000   46.66219 2.433032   49.63979   2.550985 -2.977592 3.525219 
1 1 1   11    7   14 o 19.89082 4.163045  4.520000 1.560000   6.600000 2.600000   1.400000 3.900000   23.38821 5.005373   16.39344   6.653572 6.994768 8.326090 
1 1 1   11    7   15 o 79.46431 1.806472  72.65484 2.322581   69.80000 4.500000   75.70000 4.800000   77.85796 2.523766   81.07066   2.585338 -3.212692 3.612944 
1 1 1   11    7   16 o 40.99281 2.580464  19.67647 1.694118   18.30000 3.600000   20.90000 3.200000   39.56622 3.972992   42.41939   3.294013 -2.853176 5.160928 
1 1 1   11    7   17 o 13.76330 4.280029 -0.5256757 1.844595 -0.1000000 3.500000  -1.000000 3.900000   13.78603 5.981646   13.74057   6.123276 0.4545784E-01 8.560058 
1 1 1   11    7   18 o 38.05426 2.730150  17.16866 1.665672   16.90000 3.600000   17.40000 3.100000   37.67094 4.172878   38.43758   3.521643 -0.7666321 5.460300 
1 1 1   11    7   19 o 28.82850 4.575655  11.07857 1.928571   10.90000 3.000000   11.40000 5.400000   29.81417 4.393779   27.84283   8.027527 1.971338 9.151311 
1 1 1   11    7   20 o 13.32182 4.066583 -1.085294 1.627941  -4.500000 2.700000   4.100000 4.100000   8.511284 4.162313   18.13235   6.987383 -9.621065 8.133165 
1 1 1   11    7   21 o 47.22989 3.165619  28.59263 2.298947   28.10000 3.900000   29.30000 5.600000   47.68674 3.571138   46.77303   5.227959 0.9137154 6.331239 
1 1 1   11    9    0 o 97.00932 1.735058  107.8119 2.724771   112.0000 5.500000   103.7000 5.400000   98.87689 2.428888   95.14174   2.478348 3.735153 3.470117 
1 1 1   11    9    1 o 305.4554 2.793751  1070.078 13.76938   1063.900 28.90000   1075.700 26.30000   304.5930 4.143025   306.3178   3.749068 -1.724762 5.587501 
1 1 1   11    9    2 o 132.6311 1.736749  201.6040 3.716779   202.7000 7.100000   200.4000 7.800000   133.0134 2.330787   132.2488   2.575388 0.7646179 3.473499 
1 1 1   11    9    3 o 54.06213 2.022400  32.98873 1.746479   27.40000 3.100000   40.20000 4.000000   48.89847 2.768255   59.22578   2.949096 -10.32731 4.044800 
1 1 1   11    9    4 f 54.98342 2.255895  34.62500 1.980000   34.90000 4.400000   34.40000 3.600000   55.17689 3.482051   54.78994   2.869071 0.3869476 4.511790 
1 1 1   11    9    5 o 151.0771 1.859786  261.5725 4.549450   259.1000 9.000000   264.1000 9.200000   150.3561 2.613733   151.7982   2.646434 -1.442078 3.719572 
1 1 1   11    9    6 o 193.3436 2.116023  428.6291 6.624151   426.8000 13.10000   430.5000 13.40000   192.9289 2.964925   193.7584   3.019840 -0.8294678 4.232047 
1 1 1   11    9    7 o 94.78972 1.758618  102.8963 2.696296   107.2000 5.600000   98.90000 5.200000   96.69724 2.528795   92.88219   2.444616 3.815056 3.517236 
1 1 1   11    9    8 o 73.05449 1.679703  61.17722 1.949367   61.00000 3.500000   61.40000 4.400000   72.94680 2.095084   73.16217   2.626067 -0.2153702 3.359406 
1 1 1   11    9    9 o 94.88928 1.660054  104.0620 2.436000   107.8000 4.200000   98.90000 5.800000   96.96567 1.891346   92.81290   2.728723 4.152763 3.320108 
1 1 1   11    9   10 f 68.01778 1.565619  53.00870 1.721739   49.90000 3.300000   56.40000 3.600000   65.93833 2.185323   70.09723   2.242546 -4.158897 3.131238 
1 1 1   11    9   11 o 66.95367 1.798419  51.52052 1.948718   50.40000 3.800000   52.70000 4.000000   66.21078 2.506078   67.69656   2.580080 -1.485786 3.596837 
1 1 1   11    9   12 o 111.5374 1.551280  143.0554 2.796429   143.2000 5.400000   142.9000 5.800000   111.6128 2.112610   111.4620   2.272169 0.1507950 3.102559 
1 1 1   11    9   13 o 72.86087 1.889407  61.36067 2.222472   63.10000 4.300000   59.50000 4.600000   73.95972 2.538709   71.76203   2.798999 2.197685 3.778815 
1 1 1   11    9   14 o 25.57087 3.450379  8.225000 1.398214   13.30000 2.900000   3.500000 2.700000   33.73741 3.753410   17.40433   5.790715 16.33307 6.900759 
1 1 1   11    9   15 o 21.08009 4.237048  5.654839 1.509677   4.900000 3.600000   6.200000 2.600000   19.96218 6.687342   22.19800   5.204784 -2.235817 8.474096 
1 1 1   11    9   16 o 19.58507 4.272834  3.252702 1.801351  -1.900000 3.100000   10.40000 4.300000   11.25513 5.187443   27.91500   6.791089 -16.65987 8.545669 
1 1 1   11    9   17 o 26.78481 4.080577  9.842857 1.714286   12.20000 3.000000   6.700000 4.000000   31.62335 4.142411   21.94627   7.031704 9.677073 8.161154 
1 1 1   11    9   18 o 46.08229 2.685923  25.95000 2.000000   27.80000 4.000000   24.10000 4.000000   47.83527 3.651333   44.32931   3.940114 3.505966 5.371846 
1 1 1   11    9   19 o 14.71490 4.568006  1.221429 2.089286   1.500000 3.900000  0.9000000 4.500000   14.65028 6.335400   14.77952   6.582510 -0.1292391 9.136012 
1 1 1   11   11    0 o 98.80507 1.657803  111.9745 2.646226   112.6000 5.100000   111.3000 5.500000   99.09775 2.247222   98.51240   2.437876 0.5853500 3.315606 
1 1 1   11   11    1 f 30.29032 4.618213  11.01136 2.195454   10.20000 4.200000   11.90000 4.600000   29.11251 6.467628   31.46812   6.594040 -2.355614 9.236426 
1 1 1   11   11    2 o 60.22714 2.435131  41.69158 2.374737   40.90000 4.700000   42.50000 4.800000   59.64959 3.440568   60.80470   3.447020 -1.155109 4.870262 
1 1 1   11   11    3 o 87.07230 1.991847  86.86036 2.693694   85.70000 4.600000   88.50000 6.500000   86.41708 2.324331   87.72751   3.235320 -1.310432 3.983693 
1 1 1   11   11    4 o 61.92042 2.073463  44.35610 2.019512   46.20000 3.600000   42.00000 4.600000   63.43021 2.478255   60.41062   3.324943 3.019592 4.146926 
1 1 1   11   11    5 o 51.28332 2.837840  30.43830 2.348936   32.20000 4.600000   28.60000 4.800000   52.82528 3.802382   49.74136   4.213697 3.083923 5.675680 
1 1 1   11   11    6 f 76.74780 1.811211  67.75000 2.250000   70.10000 4.500000   65.40000 4.500000   78.08483 2.516434   75.41077   2.605667 2.674065 3.622422 
1 1 1   11   11    7 o 60.22377 2.091810  41.84444 2.000000   42.20000 3.600000   41.40000 4.500000   60.55650 2.595861   59.89104   3.280880 0.6654510 4.183619 
1 1 1   11   11    8 o 42.79784 2.425739  21.24030 1.671642   22.10000 3.200000   20.30000 3.500000   43.73581 3.194865   41.85987   3.650984 1.875938 4.851479 
1 1 1   11   11    9 o 28.39394 3.348524  10.02632 1.403509   12.00000 2.500000   7.500000 3.200000   32.15081 3.395375   24.63707   5.772511 7.513737 6.697049 
1 1 1   11   11   10 o 25.18234 4.122801  7.851515 1.643939   8.700000 3.500000   7.100000 3.100000   26.45317 5.924612   23.91151   5.734888 2.541658 8.245603 
1 1 1   11   11   11 o 18.81026 4.336308  3.892308 1.615385   1.400000 3.000000   6.800000 3.500000   14.52138 5.855886   23.09914   6.397098 -8.577757 8.672616 
1 1 1   11   11   12 o 22.28703 4.912465  6.106173 1.987654   3.600000 3.500000   9.400000 4.600000   17.98544 6.551265   26.58862   7.321897 -8.603180 9.824930 
1 1 1   11   11   13 o 17.04935 4.146271  3.050000 1.550000  0.2000000 3.100000   5.900000 3.100000   13.00624 5.636379   21.09246   6.082555 -8.086219 8.292542 
1 1 1   11   11   14 o 19.12804 4.272526  4.251515 1.612121  0.9000000 2.800000   8.800000 3.800000   13.09482 5.504593   25.16127   6.535852 -12.06646 8.545053 
1 1 1   11   11   15 o 19.92132 4.622223  5.369333 1.858667   7.500000 3.400000   2.800000 4.100000   23.16307 6.260376   16.67957   6.802020 6.483498 9.244446 
1 1 1   11   11   16 o 27.40591 4.653759  10.77059 2.058824   17.30000 5.000000   6.200000 3.500000   34.43547 6.580115   20.37635   6.582701 14.05912 9.307517 
1 1 1   11   13    0 o 19.98190 4.540342  4.431428 1.737143   7.200000 3.800000   2.100000 3.200000   24.03584 6.668877   15.92796   6.163188 8.107875 9.080684 
1 1 1   11   13    1 f 19.14171 3.994548  3.850000 1.593750   7.600000 3.000000 -0.4000000 3.400000   24.83845 5.425780   13.44496   5.864005 11.39349 7.989095 
1 1 1   11   13    2 o 17.25734 4.218036  1.846479 1.771831   6.300000 3.400000  -3.000000 3.700000   22.51797 6.329647   11.99670   5.576995 10.52127 8.436072 
1 1 1   11   13    3 o 33.92780 3.612656  13.90400 1.858667   8.600000 3.400000   20.30000 4.100000   26.30399 5.800097   41.55161   4.308596 -15.24762 7.225311 
1 1 1   11   13    4 o 28.11176 3.930851  10.34265 1.663235   6.500000 3.900000   13.20000 2.900000   22.69108 6.895327   33.53245   3.776352 -10.84137 7.861702 
1 1 1   11   13    5 o 18.46128 4.692640  3.664384 1.610959   3.500000 2.400000   4.000000 4.900000   17.04808 5.445096   19.87448   7.644240 -2.826403 9.385280 
1 1 1   11   13    6 o 23.17802 4.407032  7.026667 1.834667   9.800000 3.200000   3.300000 4.300000   28.00967 5.179411   18.34638   7.131720 9.663282 8.814065 
1 1 1   11   13    7 o 38.21413 3.126077  17.20909 1.851948   15.80000 3.100000   19.30000 4.600000   36.55629 3.702877   39.87198   5.037671 -3.315689 6.252153 
1 1 1   11   13    8 o 25.03687 4.211285  8.083117 1.916883   2.800000 3.600000   14.10000 4.100000   16.60509 6.505857   33.46864   5.349158 -16.86355 8.422569 
1 1 1   11   13    9 o 34.42371 3.889382  15.68375 1.998750   9.200000 3.900000   22.50000 4.100000   25.88205 6.568620   42.96537   4.166822 -17.08332 7.778764 
1 1 1   11   13   10 o 11.20954 3.756272 -3.405405 1.848649  -1.800000 3.600000  -5.100000 3.800000   11.96679 5.541557   10.45230   5.072423 1.514489 7.512545 
1 1 1   11   13   11 o 18.55661 5.577744  3.257522 2.453097  0.9000000 3.600000   8.300000 7.700000   14.16164 6.105515   22.95159   9.336359 -8.789950 11.15549 
1 1 1   11   13   12 o 18.18990 4.986105  4.006383 2.332979   7.300000 4.300000  0.1000000 5.100000   21.48458 7.308089   14.89522   6.785043 6.589361 9.972210 
1 1 1   11   15    0 o 12.27439 4.008797 -1.948718 1.867949 -0.2000000 3.100000  -4.600000 4.700000   12.35505 5.485204   12.19374   5.847593 0.1613131 8.017593 
1 1 1   11   15    1 o 20.26041 5.383270  5.689691 2.393815   6.000000 4.300000   5.300000 5.400000   20.53728 7.288751   19.98354   7.924173 0.5537415 10.76654 
1 1 1   11   15    2 o 16.80723 5.160341  1.746667 2.613333   2.400000 4.900000   1.000000 5.600000   17.01312 7.223612   16.60135   7.371288 0.4117699 10.32068 
1 1 1   11   15    3 o 36.63095 4.341837  17.38081 2.262626   14.80000 3.500000   22.10000 6.400000   34.38811 4.444259   38.87379   7.460212 -4.485672 8.683674 
1 1 1   11   15    4 o 13.45110 4.258209      0.06 1.800000 -0.5000000 3.000000  0.9000000 4.500000   11.79510 5.304673   15.10711   6.662568 -3.312008 8.516418 
1 1 1   11   15    5 o 11.80789 3.955558 -2.668675 1.942169  -1.100000 3.100000  -5.300000 5.200000   11.34338 5.213017   12.27241   5.950647 -0.9290257 7.911115 
1 1 1   12    0    0 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   12    0    1 o 242.1264 3.066927  671.7000 17.00000   671.7000 17.00000   671.7000 17.00000   242.1264 3.066927   242.1264   3.066927 0.000000 0.000000 
1 1 1   12    0    2 o 23.64718 1.681422  6.500000 0.9000000   6.500000 0.9000000   6.500000 0.9000000   23.64718 1.681422   23.64718   1.681422 0.000000 0.000000 
1 1 1   12    0    3 o 61.23372 1.356388  43.00000 1.900000   43.00000 1.900000   43.00000 1.900000   61.23372 1.356388   61.23372   1.356388 0.000000 0.000000 
1 1 1   12    0    4 o 9.597462 3.471419  1.400000 0.7000000   1.400000 0.7000000   1.400000 0.7000000   9.597462 3.471419   9.597462   3.471419 0.000000 0.000000 
1 1 1   12    0    5 o 393.9243 4.768027  1778.600 43.00000   1778.600 43.00000   1778.600 43.00000   393.9243 4.768027   393.9243   4.768027 0.000000 0.000000 
1 1 1   12    0    6 o 86.73251 2.117347  86.30000 4.200000   86.30000 4.200000   86.30000 4.200000   86.73251 2.117347   86.73251   2.117347 0.000000 0.000000 
1 1 1   12    0    7 o 273.6288 3.416207  858.0000 21.40000   858.0000 21.40000   858.0000 21.40000   273.6288 3.416207   273.6288   3.416207 0.000000 0.000000 
1 1 1   12    0    8 o 170.1883 2.412874  331.9000 9.400000   331.9000 9.400000   331.9000 9.400000   170.1883 2.412874   170.1883   2.412874 0.000000 0.000000 
1 1 1   12    0    9 o 597.8123 7.006932  4097.700 95.90000   4097.700 95.90000   4097.700 95.90000   597.8123 7.006932   597.8123   7.006932 0.000000 0.000000 
1 1 1   12    0   10 o 6.044557 4.187891 -1.700000 2.000000  -1.700000 2.000000  -1.700000 2.000000   6.044557 4.187891   6.044557   4.187891 0.000000 0.000000 
1 1 1   12    0   11 o 79.44613 1.871071  72.40000 3.400000   72.40000 3.400000   72.40000 3.400000   79.44613 1.871071   79.44613   1.871071 0.000000 0.000000 
1 1 1   12    0   12 o 19.49496 5.904149  5.400000 2.300000   5.400000 2.300000   5.400000 2.300000   19.49496 5.904149   19.49496   5.904149 0.000000 0.000000 
1 1 1   12    0   13 o 276.1773 3.447948  874.3000 21.80000   874.3000 21.80000   874.3000 21.80000   276.1773 3.447948   276.1773   3.447948 0.000000 0.000000 
1 1 1   12    0   14 o 61.13075 2.871634  43.10000 4.000000   43.10000 4.000000   43.10000 4.000000   61.13075 2.871634   61.13075   2.871634 0.000000 0.000000 
1 1 1   12    0   15 o 62.97459 2.715690  45.70000 3.900000   45.70000 3.900000   45.70000 3.900000   62.97459 2.715690   62.97459   2.715690 0.000000 0.000000 
1 1 1   12    0   16 o 186.0600 2.723670  397.2000 11.60000   397.2000 11.60000   397.2000 11.60000   186.0600 2.723670   186.0600   2.723670 0.000000 0.000000 
1 1 1   12    0   17 o 69.43911 2.396034  55.50000 3.800000   55.50000 3.800000   55.50000 3.800000   69.43911 2.396034   69.43911   2.396034 0.000000 0.000000 
1 1 1   12    0   18 o 165.6562 2.373425  315.2000 9.000000   315.2000 9.000000   315.2000 9.000000   165.6562 2.373425   165.6562   2.373425 0.000000 0.000000 
1 1 1   12    0   19 o 14.41572 7.565868  3.600000 3.300000   3.600000 3.300000   3.600000 3.300000   14.41572 7.565868   14.41572   7.565868 0.000000 0.000000 
1 1 1   12    0   20 o 34.23824 3.820243  14.10000 2.900000   14.10000 2.900000   14.10000 2.900000   34.23824 3.820243   34.23824   3.820243 0.000000 0.000000 
1 1 1   12    0   21 o 47.88476 3.225197  27.00000 3.500000   27.00000 3.500000   27.00000 3.500000   47.88476 3.225197   47.88476   3.225197 0.000000 0.000000 
1 1 1   12    0   22 o 12.39868 7.167897  2.700000 3.300000   2.700000 3.300000   2.700000 3.300000   12.39868 7.167897   12.39868   7.167897 0.000000 0.000000 
1 1 1   12    0   23 o 32.09118 5.709205  13.70000 3.800000   13.70000 3.800000   13.70000 3.800000   32.09118 5.709205   32.09118   5.709205 0.000000 0.000000 
1 1 1   12    2    0 o 146.3210 1.498742  245.2451 3.549296   248.4000 7.000000   242.0000 7.200000   147.2763 2.075415   145.3658   2.162768 1.910461 2.997485 
1 1 1   12    2    1 o 107.2080 1.296389  131.6500 2.250000   135.3000 4.500000   128.0000 4.500000   108.6947 1.807774   105.7214   1.858615 2.973289 2.592777 
1 1 1   12    2    2 o 505.7159 4.222066  2933.161 34.56978   2922.000 68.30000   2944.600 70.00000   504.7505 5.908588   506.6815   6.032575 -1.931000 8.444132 
1 1 1   12    2    3 o 135.4153 1.681158  211.1137 3.616438   220.2000 6.600000   200.1000 8.000000   138.6593 2.078426   132.1712   2.642975 6.488190 3.362316 
1 1 1   12    2    4 o 199.0821 2.363545  458.3635 7.500997   506.2000 14.20000   404.8000 15.90000   210.2086 2.949699   187.9556   3.693869 22.25296 4.727091 
1 1 1   12    2    5 o 251.4602 2.647682  724.5000 9.777990   724.5000 15.60000   724.5000 26.20000   251.4974 2.708512   251.4230   4.550258 0.7443237E-01 5.295365 
1 1 1   12    2    6 o 101.8022 1.432840  118.8702 2.332979   120.7000 4.300000   116.7000 5.100000   102.6615 1.828944   100.9428   2.206147 1.718689 2.865680 
1 1 1   12    2    7 o 363.0691 3.526680  1521.832 19.11480   1559.400 31.30000   1462.900 49.10000   368.9400 3.704489   357.1982   6.002221 11.74188 7.053360 
1 1 1   12    2    8 o 449.4579 4.322438  2303.491 28.30876   2268.900 44.60000   2363.600 77.50000   444.9968 4.376407   453.9191   7.455263 -8.922363 8.644876 
1 1 1   12    2    9 o 219.3872 2.375218  556.5938 7.644923   572.3000 12.30000   530.8000 20.20000   223.5376 2.402670   215.2367   4.098027 8.300964 4.750436 
1 1 1   12    2   10 o 193.8549 2.101520  433.5750 6.093750   444.2000 10.00000   417.0000 15.60000   196.9352 2.217259   190.7747   3.570618 6.160400 4.203041 
1 1 1   12    2   11 o 446.1743 4.274894  2293.595 27.77078   2319.700 44.10000   2249.200 75.00000   449.8523 4.280636   442.4963   7.401016 7.355988 8.549788 
1 1 1   12    2   12 o 31.75269 3.390244  12.45738 1.377049   13.80000 2.100000   9.900000 4.000000   34.70467 2.642233   28.80072   6.244486 5.903946 6.780487 
1 1 1   12    2   13 o 245.4105 2.683981  689.5867 9.605811   686.9000 15.20000   694.2000 26.10000   244.8415 2.710805   245.9796   4.633201 -1.138153 5.367962 
1 1 1   12    2   14 o 46.10662 2.646353  24.58400 1.698667   25.00000 2.600000   23.80000 4.900000   46.70346 2.430882   45.50978   4.701441 1.193684 5.292706 
1 1 1   12    2   15 o 163.4782 2.102127  306.2944 4.900935   305.3000 7.600000   308.1000 13.80000   163.2012 2.033433   163.7552   3.679795 -0.5540161 4.204253 
1 1 1   12    2   16 o 89.93607 1.724241  91.89184 2.277551   89.10000 3.600000   96.70000 6.200000   88.15004 1.783281   91.72210   2.951599 -3.572060 3.448482 
1 1 1   12    2   17 o 31.47608 4.077939  12.03947 1.677632   12.50000 2.500000   11.10000 5.100000   32.92384 3.315655   30.02832   7.451496 2.895517 8.155878 
1 1 1   12    2   18 o 74.21660 1.732306  64.07037 1.955556   66.80000 3.300000   60.10000 4.800000   76.25731 1.889610   72.17590   2.903948 4.081413 3.464612 
1 1 1   12    2   19 o 50.94459 2.096605  29.37391 1.643478   26.40000 2.700000   34.00000 4.200000   47.81908 2.465485   54.07010   3.391813 -6.251019 4.193210 
1 1 1   12    2   20 o 18.88018 4.480667  4.220000 1.593846   3.100000 2.800000   5.700000 3.700000   16.58599 5.882144   21.17436   6.760612 -4.588367 8.961333 
1 1 1   12    2   21 o 50.83387 2.366011  30.52692 1.929487   27.70000 3.500000   34.00000 4.300000   48.33540 3.161859   53.33233   3.520607 -4.996933 4.732021 
1 1 1   12    2   22 o 17.20064 4.026687  3.549091 1.338182   1.500000 2.300000   6.400000 3.200000   12.97663 5.163372   21.42466   6.180326 -8.448032 8.053374 
1 1 1   12    2   23 o 27.58833 3.811384  10.28955 1.665672   8.300000 3.100000   12.60000 3.600000   24.31524 5.671126   30.86142   5.093617 -6.546179 7.622769 
1 1 1   12    4    0 o 38.33202 1.058370  16.94615 0.6461539   18.10000 1.200000   15.60000 1.400000   39.75626 1.318000   36.90777   1.656342 2.848495 2.116741 
1 1 1   12    4    1 o 98.75827 1.857015  0.000000 0.000000          ?        ?   111.7000 4.200000          ?        ?   98.75827   1.857015       ?       ? 
1 1 1   12    4    2 f 229.8464 2.236851  605.1805 8.323123   603.9000 16.40000   606.5000 16.90000   229.6010 3.118960   230.0918   3.207194 -0.4908905 4.473701 
1 1 1   12    4    3 o 322.1093 2.866390  1188.949 14.94849   1193.800 29.60000   1184.000 30.20000   322.7758 4.004335   321.4428   4.102447 1.333038 5.732780 
1 1 1   12    4    4 o 276.2896 2.536933  874.6115 11.34912   873.3000 22.90000   875.9000 22.50000   276.0827 3.621897   276.4964   3.553307 -0.4137268 5.073867 
1 1 1   12    4    5 o 357.7205 3.141984  1466.400 18.20000   1449.500 36.40000   1483.300 36.40000   355.6576 4.468987   359.7834   4.417738 -4.125824 6.283967 
1 1 1   12    4    6 o 346.4025 3.101899  1375.057 17.39871   1370.100 34.50000   1380.100 35.10000   345.7746 4.356781   347.0304   4.416510 -1.255859 6.203798 
1 1 1   12    4    7 o 444.4927 4.540195  2262.004 31.43034   2290.000 75.20000   2241.900 54.00000   446.7440 7.350193   442.2413   5.331803 4.502716 9.080389 
1 1 1   12    4    8 o 485.2518 4.011671  2697.874 31.48834   2768.400 65.20000   2632.000 60.90000   491.3674 5.794033   479.1363   5.550064 12.23114 8.023342 
1 1 1   12    4    9 o 252.2950 2.386749  729.3077 9.747692   728.8000 19.80000   729.8000 19.20000   252.2062 3.428066   252.3839   3.321845 -0.1777191 4.773499 
1 1 1   12    4   10 o 316.1452 3.514219  1148.212 17.40197   1159.200 30.40000   1133.500 40.70000   317.9922 4.174426   314.2981   5.654476 3.694153 7.028437 
1 1 1   12    4   11 o 165.3628 1.880651  314.1828 4.804040   318.2000 8.200000   308.5000 11.60000   166.6623 2.148405   164.0632   3.087354 2.599106 3.761302 
1 1 1   12    4   12 o 342.3766 3.600007  1330.016 17.30533   1295.200 26.30000   1397.000 50.60000   336.1333 3.416520   348.6200   6.337790 -12.48676 7.200014 
1 1 1   12    4   13 o 35.00945 3.241962  13.12192 1.575342   11.20000 2.300000   17.30000 5.000000   31.24869 3.213925   38.77022   5.631337 -7.521528 6.483923 
1 1 1   12    4   14 o 98.44182 1.991568  110.3902 2.754098   108.6000 4.200000   113.8000 8.000000   97.34403 1.883994   99.53960   3.509407 -2.195572 3.983136 
1 1 1   12    4   15 o 72.70996 2.245817  61.92800 2.304000   64.70000 3.600000   57.00000 6.400000   75.09940 2.093176   70.32051   3.974090 4.778893 4.491634 
1 1 1   12    4   16 o 105.1386 1.814018  126.4529 2.717647   124.9000 4.200000   129.3000 7.700000   104.3409 1.757659   105.9363   3.173844 -1.595444 3.628036 
1 1 1   12    4   17 f 76.28096 2.270107  68.05000 2.408491   69.90000 3.700000   64.60000 6.900000   77.98412 2.071740   74.57780   4.039980 3.406319 4.540214 
1 1 1   12    4   18 o 70.08945 1.625848  57.08219 1.816438   61.60000 3.400000   51.90000 3.900000   73.14424 2.029731   67.03466   2.540416 6.109581 3.251695 
1 1 1   12    4   19 o 62.85507 2.292069  45.80000 1.909091   45.10000 2.800000   47.30000 6.000000   62.51925 1.955618   63.19090   4.146068 -0.6716461 4.584138 
1 1 1   12    4   20 o 24.87123 3.518770  8.705263 1.389474   13.00000 2.400000   2.800000 3.300000   33.23269 3.153446   16.50978   6.291481 16.72291 7.037539 
1 1 1   12    4   21 o 41.06875 2.749593  20.00556 1.661111   18.20000 2.600000   23.20000 4.600000   39.14801 2.900036   42.98949   4.672349 -3.841476 5.499187 
1 1 1   12    4   22 o 24.22231 4.779745  8.376924 1.887179   6.900000 3.200000   10.50000 4.600000   22.11593 6.113740   26.32868   7.348878 -4.212751 9.559489 
1 1 1   12    6    0 o 368.8848 4.498981  1560.440 26.79637   1563.000 56.10000   1558.100 51.30000   369.1495 6.635906   368.6200   6.076846 0.5295410 8.997961 
1 1 1   12    6    1 o 91.47658 1.231959  95.73698 1.821918   98.60000 3.800000   93.10000 3.500000   92.78882 1.788247   90.16434   1.695013 2.624474 2.463919 
1 1 1   12    6    2 o 116.4471 1.445019  155.1798 2.722936   163.4000 5.600000   147.4000 5.300000   119.4464 2.047174   113.4477   2.039951 5.998611 2.890038 
1 1 1   12    6    3 o 301.8037 2.741737  1043.373 13.39832   1027.700 26.50000   1059.400 27.10000   299.5121 3.863413   304.0953   3.891340 -4.583191 5.483474 
1 1 1   12    6    4 o 216.8272 2.608481  525.0156 8.248889   591.2000 23.20000   488.5000 12.80000   227.1370 4.460051   206.5174   2.706406 20.61958 5.216962 
1 1 1   12    6    5 o 152.8834 1.617378  267.7863 3.994375   270.0000 7.700000   265.4000 8.300000   153.5414 2.189802   152.2253   2.380845 1.316177 3.234757 
1 1 1   12    6    6 o 12.67124 3.417443  1.253846 0.9692307   1.300000 1.800000   1.200000 2.100000   12.44026 4.667875   12.90222   4.992656 -0.4619598 6.834887 
1 1 1   12    6    7 o 216.5348 2.031829  536.9102 7.120702   525.4000 13.90000   549.0000 14.60000   214.1577 2.834137   218.9120   2.912212 -4.754272 4.063657 
1 1 1   12    6    8 o 89.15087 1.524238  90.96136 2.195454   89.10000 4.200000   93.00000 4.600000   88.19716 2.079382   90.10458   2.229208 -1.907425 3.048475 
1 1 1   12    6    9 o 28.75799 3.648585  10.35000 1.600000   16.20000 3.200000   4.500000 3.200000   37.58708 3.717501   19.92890   6.279241 17.65817 7.297170 
1 1 1   12    6   10 o 265.3971 2.548187  807.6071 10.94909   813.8000 21.70000   801.3000 22.10000   266.4284 3.556468   264.3658   3.650285 2.062622 5.096375 
1 1 1   12    6   11 o 143.7770 1.706910  236.4302 3.962264   248.0000 8.400000   226.1000 7.500000   147.0951 2.493566   140.4589   2.331588 6.636169 3.413821 
1 1 1   12    6   12 o 115.6115 1.682128  153.0120 3.067200   151.5000 5.400000   155.0000 7.100000   114.9703 2.050916   116.2528   2.666827 -1.282471 3.364256 
1 1 1   12    6   13 f 101.5197 1.520706  118.2000 2.500000   118.5000 5.000000   117.9000 5.000000   101.6488 2.147868   101.3907   2.153335 0.2580719 3.041412 
1 1 1   12    6   14 o 87.73302 1.495796  88.28471 2.122353   86.50000 4.100000   90.20000 4.400000   86.81941 2.062086   88.64664   2.167355 -1.827225 2.991593 
1 1 1   12    6   15 o 59.67223 2.173068  41.02738 2.098809   42.00000 4.300000   40.10000 4.100000   60.35794 3.110812   58.98650   3.035085 1.371441 4.346135 
1 1 1   12    6   16 o 50.12833 2.670514  29.13976 1.886747   29.00000 2.900000   29.40000 5.400000   50.15917 2.524570   50.09750   4.706710 0.6167221E-01 5.341027 
1 1 1   12    6   17 o 71.59566 1.964437  59.24138 1.965517   59.00000 3.000000   59.70000 5.700000   71.60825 1.829355   71.58306   3.476997 0.2518463E-01 3.928873 
1 1 1   12    6   18 o 21.96366 3.549702  6.110000 1.485000   10.70000 2.700000  0.5000000 3.300000   30.02989 3.925994   13.89742   5.915073 16.13247 7.099403 
1 1 1   12    6   19 o 16.02141 4.625285  1.991250 1.788750   2.700000 2.700000  0.6000000 5.300000   15.54713 5.739818   16.49569   7.254482 -0.9485636 9.250569 
1 1 1   12    6   20 o 41.14451 3.308745  19.63605 1.773256   16.70000 2.500000   26.80000 6.100000   37.45568 2.914486   44.83334   5.941123 -7.377655 6.617489 
1 1 1   12    6   21 o 48.79988 2.995335  30.23333 1.933333   31.00000 2.900000   28.70000 5.800000   51.17979 2.474225   46.41998   5.455854 4.759811 5.990671 
1 1 1   12    8    0 o 65.02643 1.550318  48.18000 1.593846   50.40000 3.700000   46.50000 2.800000   66.33366 2.435608   63.71920   1.918790 2.614468 3.100636 
1 1 1   12    8    1 o 262.2791 2.535362  787.9081 10.70442   783.0000 20.10000   793.5000 22.90000   261.4169 3.357393   263.1414   3.800022 -1.724457 5.070725 
1 1 1   12    8    2 o 338.6488 2.968020  1314.342 16.26851   1306.600 31.90000   1322.400 33.20000   337.6368 4.125538   339.6608   4.268079 -2.023956 5.936039 
1 1 1   12    8    3 o 154.6590 1.847220  273.7557 4.614054   280.1000 9.700000   268.0000 8.800000   156.3638 2.708790   152.9543   2.512238 3.409485 3.694439 
1 1 1   12    8    4 o 203.3438 2.028395  472.8184 6.641199   458.7000 12.40000   489.1000 14.30000   200.0892 2.706062   206.5984   3.022378 -6.509232 4.056790 
1 1 1   12    8    5 o 129.4043 1.578990  191.9985 3.287879   194.3000 6.200000   189.4000 7.000000   130.2349 2.078758   128.5737   2.377309 1.661209 3.157979 
1 1 1   12    8    6 o 69.17845 1.764897  54.87595 1.974684   56.90000 3.900000   52.80000 4.000000   70.47293 2.416473   67.88397   2.572956 2.588959 3.529794 
1 1 1   12    8    7 o 149.1892 1.884974  255.0736 4.541209   255.7000 9.500000   254.5000 8.700000   149.3587 2.777363   149.0197   2.549267 0.3390045 3.769948 
1 1 1   12    8    8 o 148.3359 1.833009  251.9858 4.385796   256.9000 9.300000   247.6000 8.300000   149.6955 2.712775   146.9762   2.465874 2.719360 3.666017 
1 1 1   12    8    9 o 100.8522 1.683566  116.4955 2.746364   112.4000 5.300000   120.9000 5.700000   99.01662 2.337262   102.6877   2.423796 -3.671097 3.367132 
1 1 1   12    8   10 o 80.92448 1.586071  75.19639 2.074699   71.30000 4.200000   79.00000 4.100000   78.84562 2.326009   83.00335   2.156890 -4.157730 3.172143 
1 1 1   12    8   11 o 78.03590 1.642781  69.88554 2.072289   69.50000 4.000000   70.30000 4.300000   77.81892 2.244473   78.25288   2.399429 -0.4339523 3.285562 
1 1 1   12    8   12 o 80.75536 1.862504  74.82990 2.393815   73.50000 4.300000   76.50000 5.400000   79.98286 2.347531   81.52786   2.892194 -1.545006 3.725008 
1 1 1   12    8   13 o 34.10802 2.719424  13.50000 1.500000   14.30000 3.000000   12.70000 3.000000   35.13219 3.728685   33.08384   3.959542 2.048347 5.438848 
1 1 1   12    8   14 o 21.98146 4.310740  5.639131 1.715942   2.300000 3.200000   9.500000 3.700000   16.22307 6.192263   27.73984   5.998817 -11.51678 8.621481 
1 1 1   12    8   15 o 29.13143 3.838490  10.25915 1.766197   8.400000 3.300000   12.40000 3.800000   25.99318 5.700549   32.26968   5.141960 -6.276503 7.676979 
1 1 1   12    8   16 o 38.21948 2.714442  17.32239 1.674627   19.20000 3.400000   15.50000 3.300000   40.31355 3.682711   36.12541   3.988787 4.188133 5.428884 
1 1 1   12    8   17 o 44.30725 2.303702  23.26970 1.648485   22.60000 3.400000   23.90000 3.200000   43.62099 3.403479   44.99352   3.105559 -1.372528 4.607403 
1 1 1   12    8   18 o 31.35729 4.317639  13.27907 2.145349   10.80000 4.100000   16.00000 4.500000   27.72280 6.560071   34.99179   5.615469 -7.268991 8.635278 
1 1 1   12    8   19 o 22.14703 5.164776  7.251163 2.120930   8.200000 4.800000   6.500000 3.800000   23.11529 7.721985   21.17877   6.860803 1.936522 10.32955 
1 1 1   12   10    0 o 63.29971 2.617241  46.23774 2.616038   48.10000 4.700000   43.90000 5.900000   64.76289 3.168920   61.83652   4.166263 2.926373 5.234482 
1 1 1   12   10    1 o 167.8576 1.885939  323.0439 5.123902   326.0000 10.10000   320.0000 10.40000   168.6407 2.615163   167.0744   2.718085 1.566254 3.771878 
1 1 1   12   10    2 o 125.2354 1.864496  179.7762 3.761589   179.4000 7.100000   180.2000 8.000000   125.1046 2.478135   125.3662   2.786437 -0.2616348 3.728992 
1 1 1   12   10    3 o 84.02672 1.892162  80.89515 2.572816   84.60000 5.300000   77.40000 5.000000   85.89410 2.694339   82.15935   2.657374 3.734749 3.784323 
1 1 1   12   10    4 o 122.1745 1.846300  170.2158 3.606164   181.7000 8.100000   161.0000 6.500000   125.8523 2.810371   118.4967   2.395227 7.355576 3.692600 
1 1 1   12   10    5 o 64.41945 1.982610  47.94146 2.048780   53.60000 4.000000   42.00000 4.200000   68.35432 2.555252   60.48458   3.032105 7.869736 3.965221 
1 1 1   12   10    6 o 119.8145 1.779277  164.8551 3.449275   161.0000 7.000000   168.6000 6.800000   118.4254 2.581029   121.2036   2.449814 -2.778183 3.558553 
1 1 1   12   10    7 o 35.31647 3.220897  14.40000 1.816438   11.00000 3.400000   18.30000 3.900000   30.82673 4.816053   39.80622   4.278124 -8.979492 6.441794 
1 1 1   12   10    8 o 22.86085 3.436912  6.243750 1.575000   12.50000 2.800000  -1.800000 3.600000   32.90534 3.715621   12.81637   5.783046 20.08897 6.873825 
1 1 1   12   10    9 o 79.04799 1.855922  71.88421 2.372632   71.40000 4.600000   72.40000 4.900000   78.78394 2.549528   79.31203   2.697719 -0.5280838 3.711844 
1 1 1   12   10   10 o 31.99810 2.966542  11.97377 1.524590   10.50000 3.100000   13.40000 3.000000   30.01130 4.510415   33.98491   3.854561 -3.973600 5.933084 
1 1 1   12   10   11 o 38.24893 2.541668  16.95873 1.565079   15.90000 2.900000   18.20000 3.400000   36.98643 3.423697   39.51143   3.757473 -2.525002 5.083335 
1 1 1   12   10   12 o 32.83613 3.658827  12.99474 1.894737   11.10000 3.600000   15.10000 4.000000   30.03360 5.434055   35.63866   4.900928 -5.605068 7.317653 
1 1 1   12   10   13 o 36.29755 2.682014  15.48889 1.555556   16.60000 3.500000   14.60000 2.800000   37.36838 4.089813   35.22673   3.470766 2.141651 5.364027 
1 1 1   12   10   14 o 48.69354 2.549383  28.14625 1.998750   32.40000 4.100000   24.10000 3.900000   52.37269 3.418367   45.01439   3.783144 7.358299 5.098766 
1 1 1   12   10   15 o 23.50825 3.850327  7.037931 1.406897   9.500000 3.400000   5.300000 2.400000   26.84660 5.705900   20.16990   5.171341 6.676691 7.700654 
1 1 1   12   10   16 o 17.89505 4.166260  3.981818 1.553030   5.800000 2.500000   1.000000 4.100000   20.85215 5.241129   14.93795   6.477767 5.914201 8.332520 
1 1 1   12   10   17 f 23.27546 4.889038  8.400000 2.110638   10.00000 3.200000   5.300000 6.200000   27.09120 5.347599   19.45972   8.186206 7.631485 9.778076 
1 1 1   12   12    0 o 13.53294 4.269338 -1.905063 1.959494  -4.300000 4.300000  0.1000000 3.600000   12.56935 5.898082   14.49653   6.174271 -1.927184 8.538676 
1 1 1   12   12    1 o 29.70115 3.924639  10.59722 1.731945   11.00000 2.900000   10.00000 4.300000   30.82195 4.108447   28.58035   6.688186 2.241596 7.849278 
1 1 1   12   12    2 o 69.59583 1.953217  55.80000 2.200000   58.00000 4.400000   53.60000 4.400000   70.97615 2.706948   68.21552   2.816497 2.760635 3.906433 
1 1 1   12   12    3 o 30.77109 3.862917  11.60137 1.808219   9.300000 4.000000   13.50000 3.300000   27.47313 6.465251   34.06905   4.229546 -6.595911 7.725835 
1 1 1   12   12    4 o 37.13670 3.285379  16.15263 1.768421   16.30000 2.800000   15.90000 4.800000   37.54900 3.256112   36.72440   5.707242 0.8246002 6.570759 
1 1 1   12   12    5 o 24.45152 4.523485  7.475676 1.837838   8.900000 3.400000   5.800000 4.000000   26.91255 5.694189   21.99049   7.030212 4.922066 9.046969 
1 1 1   12   12    6 f 49.34298 2.067653  28.18182 1.643939   28.50000 3.500000   27.90000 3.100000   49.57425 3.082844   49.11171   2.756235 0.4625359 4.135307 
1 1 1   12   12    7 f 24.03085 4.382906  7.205797 1.715942   8.600000 3.700000   6.000000 3.200000   26.13866 6.263043   21.92304   6.133007 4.215622 8.765813 
1 1 1   12   12    8 o 21.82343 4.597902  5.822222 1.777778   8.600000 4.000000   3.600000 3.200000   25.81189 6.706027   17.83498   6.292217 7.976912 9.195804 
1 1 1   12   12    9 o 15.28685 4.509657  1.209459 1.801351   1.000000 3.100000   1.500000 4.300000   14.10566 5.850029   16.46804   6.864780 -2.362389 9.019315 
1 1 1   12   12   10 f 31.56685 5.114830  13.38461 2.461539   13.50000 4.000000   13.20000 6.400000   33.01081 5.291071   30.12289   8.755029 2.887913 10.22966 
1 1 1   12   12   11 o 34.72369 3.894218  15.32857 2.023810   14.60000 3.400000   16.40000 5.000000   34.55445 4.296498   34.89291   6.496140 -0.3384590 7.788436 
1 1 1   12   12   12 o 38.07262 2.937345  17.99028 1.798611   16.50000 3.700000   19.40000 3.500000   36.32576 4.447610   39.81948   3.838063 -3.493725 5.874689 
1 1 1   12   12   13 o 23.36572 5.101375  8.142529 2.160919   9.200000 4.000000   6.900000 4.700000   25.19910 6.781809   21.53235   7.622543 3.666744 10.20275 
1 1 1   12   12   14 o 13.30807 4.256896 -0.7746835 1.936709  -3.400000 3.400000   2.700000 4.500000   10.35927 4.969373   16.25687   6.913029 -5.897594 8.513791 
1 1 1   12   14    0 o 24.53771 5.335736  7.491304 2.608696   10.90000 4.000000   1.100000 7.500000   29.15548 6.182480   19.91995   8.698118 9.235527 10.67147 
1 1 1   12   14    1 o 18.72124 4.999189  2.136364 1.909091  -1.300000 2.800000   9.500000 6.000000   11.13464 5.054771   26.30783   8.626521 -15.17320 9.998379 
1 1 1   12   14    2 o 15.19595 4.515541 0.9285713 1.924675   2.600000 3.900000 -0.7000000 3.800000   16.87347 6.720548   13.51843   6.032800 3.355046 9.031082 
1 1 1   12   14    3 o 11.35229 3.827009 -3.692308 1.867949  -2.500000 3.100000  -5.500000 4.700000   10.69469 5.015058   12.00989   5.782143 -1.315202 7.654017 
1 1 1   12   14    4 o 21.58075 4.039163  5.343479 1.681159  0.3000000 2.900000   12.30000 4.000000   12.67470 5.472119   30.48679   5.942665 -17.81208 8.078326 
1 1 1   12   14    5 o 21.04676 4.712606  6.147945 1.808219   6.600000 3.300000   5.600000 4.000000   21.88685 6.265280   20.20667   7.041371 1.680182 9.425213 
1 1 1   12   14    6 f 33.54187 3.998595  15.05542 2.074699   11.40000 4.100000   18.80000 4.200000   28.53708 6.427969   38.54665   4.757757 -10.00958 7.997190 
1 1 1   12   14    7 o 28.45893 4.413567  12.36848 2.211957   18.20000 3.700000   3.700000 5.500000   38.33712 4.214266   18.58074   7.756176 19.75638 8.827134 
1 1 1   12   14    8 o 15.17632 4.660613 0.4909091 2.171591  -2.700000 3.900000   4.500000 4.900000   11.76893 5.551821   18.58371   7.487493 -6.814773 9.321226 
1 1 1   13    1    0 o 509.2152 4.750476  2970.332 35.32762   2962.100 56.00000   2984.400 95.70000   508.4308 4.809456   509.9997   8.193731 -1.568939 9.500953 
1 1 1   13    1    1 o 365.3752 3.788055  1529.535 21.67644   1525.200 37.70000   1535.400 51.00000   364.8234 4.512304   365.9271   6.085767 -1.103668 7.576111 
1 1 1   13    1    2 o 174.4364 1.645938  348.2355 4.645161   359.9000 9.600000   337.3000 9.000000   177.2637 2.364782   171.6092   2.290033 5.654526 3.291876 
1 1 1   13    1    3 o 333.3452 2.927788  1273.615 15.79604   1283.900 31.10000   1263.000 32.10000   334.7184 4.057146   331.9720   4.222244 2.746368 5.855576 
1 1 1   13    1    4 o 117.0078 1.345851  156.7706 2.549020   158.3000 5.200000   155.3000 5.000000   117.5672 1.931332   116.4484   1.874891 1.118752 2.691702 
1 1 1   13    1    5 o 635.8987 5.171168  4641.111 53.24995   4629.400 106.6000   4652.800 106.4000   635.0939 7.329241   636.7035   7.296997 -1.609619 10.34234 
1 1 1   13    1    6 o 180.7684 1.793485  374.3000 5.250000   372.0000 10.50000   376.6000 10.50000   180.2128 2.544154   181.3240   2.528563 -1.111160 3.586969 
1 1 1   13    1    7 o 102.3752 1.236677  119.8817 2.045122   123.5000 4.300000   116.6000 3.900000   103.8461 1.808082   100.9043   1.687698 2.941811 2.473355 
1 1 1   13    1    8 o 403.8698 4.014882  1877.847 25.56763   1933.200 45.60000   1807.200 58.20000   410.7313 4.847824   397.0082   6.401227 13.72305 8.029763 
1 1 1   13    1    9 o 259.7263 2.318306  772.7577 9.748975   772.0000 19.70000   773.5000 19.30000   259.5991 3.313620   259.8535   3.243160 -0.2543640 4.636611 
1 1 1   13    1   10 o 216.1675 2.049827  535.3083 7.174216   536.1000 14.20000   534.5000 14.50000   216.3300 2.866231   216.0049   2.931191 0.3251190 4.099654 
1 1 1   13    1   11 o 229.7223 2.190538  603.9202 8.134970   626.5000 17.00000   583.2000 15.60000   233.8314 3.174577   225.6133   3.019254 8.218124 4.381077 
1 1 1   13    1   12 o 81.26411 1.444236  75.64606 1.898684   75.80000 3.900000   75.50000 3.700000   81.34383 2.093533   81.18440   1.990072 0.1594238 2.888471 
1 1 1   13    1   13 o 224.8272 2.149255  579.2946 7.823003   586.0000 15.90000   572.8000 15.40000   226.1054 3.070619   223.5489   3.008069 2.556473 4.298509 
1 1 1   13    1   14 o 172.2859 1.882051  340.2905 5.248095   339.8000 10.30000   340.8000 10.70000   172.1632 2.612381   172.4086   2.709970 -0.2454071 3.764103 
1 1 1   13    1   15 o 74.94402 1.545021  64.39600 1.874667   64.70000 3.800000   64.10000 3.700000   75.11749 2.208932   74.77056   2.160781 0.3469238 3.090041 
1 1 1   13    1   16 o 92.94588 1.545736  99.06129 2.318280   100.8000 4.900000   97.50000 4.400000   93.70986 2.283235   92.18188   2.084236 1.527977 3.091472 
1 1 1   13    1   17 o 68.61713 1.711715  53.67368 1.867105   58.20000 4.300000   50.20000 3.300000   71.12727 2.639806   66.10699   2.179748 5.020271 3.423430 
1 1 1   13    1   18 o 97.90048 1.628006  110.3466 2.563107   110.3000 4.800000   110.4000 5.500000   97.91446 2.140593   97.88651   2.453463 0.2795410E-01 3.256013 
1 1 1   13    1   19 o 81.10538 1.693463  75.51349 2.202247   81.90000 4.900000   70.30000 4.000000   84.15577 2.542447   78.05500   2.237685 6.100769 3.386926 
1 1 1   13    1   20 o 54.56837 2.031457  34.22083 1.765278   29.70000 3.100000   40.20000 4.100000   50.51232 2.679811   58.62442   3.053831 -8.112099 4.062914 
1 1 1   13    1   21 o 56.11423 2.394351  37.58621 2.172414   37.20000 4.200000   38.00000 4.500000   55.88570 3.281620   56.34276   3.487499 -0.4570541 4.788703 
1 1 1   13    1   22 o 56.34134 2.027090  37.60541 1.844595   34.20000 3.500000   41.40000 3.900000   53.66569 2.847810   59.01698   2.885542 -5.351288 4.054180 
1 1 1   13    3    0 o 232.9130 2.141469  621.3566 8.068730   618.1000 15.70000   624.8000 16.60000   232.2877 2.951298   233.5383   3.103771 -1.250580 4.282938 
1 1 1   13    3    1 o 32.22591 1.007791  11.87143 0.5238096   13.60000 1.100000   10.30000 1.000000   34.46148 1.393793   29.99033   1.455990 4.471149 2.015581 
1 1 1   13    3    2 o 33.22989 1.215363  12.68462 0.6461539   13.10000 1.200000   12.20000 1.400000   33.82159 1.549269   32.63819   1.873017 1.183403 2.430726 
1 1 1   13    3    3 o 369.1866 3.286960  1562.087 19.64542   1554.800 38.70000   1569.600 39.90000   368.3167 4.588062   370.0564   4.708089 -1.739746 6.573919 
1 1 1   13    3    4 o 111.5883 1.274778  142.7641 2.298913   137.4000 4.700000   147.9000 4.500000   109.5336 1.873657   113.6430   1.729058 -4.109390 2.549555 
1 1 1   13    3    5 o 310.8444 2.776280  1107.104 13.97281   1079.800 27.60000   1135.100 28.30000   306.9633 3.926109   314.7255   3.926398 -7.762146 5.552560 
1 1 1   13    3    6 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   13    3    7 o 509.0239 4.772588  2977.569 35.44678   2995.200 56.30000   2947.600 95.70000   511.2496 4.808561   506.7982   8.245492 4.451447 9.545177 
1 1 1   13    3    8 o 331.9092 3.261454  1263.278 15.87305   1265.700 25.30000   1259.200 42.60000   332.3997 3.323529   331.4186   5.612707 0.9811096 6.522908 
1 1 1   13    3    9 o 288.6812 3.027337  950.0430 12.33364   938.3000 18.90000   972.1000 35.50000   286.1982 2.883597   291.1642   5.323903 -4.965942 6.054673 
1 1 1   13    3   10 o 58.74624 1.731291  37.39394 1.498485   31.40000 2.300000   48.60000 4.300000   52.36030 1.918074   65.13218   2.882787 -12.77188 3.462582 
1 1 1   13    3   11 f 24.28209 3.626755  6.761818 1.210909   6.500000 1.800000   7.300000 3.700000   23.81380 3.300529   24.75038   6.459095 -0.9365807 7.253510 
1 1 1   13    3   12 o 139.9580 1.924426  224.5391 3.951479   224.8000 6.300000   224.1000 10.60000   140.0898 1.963694   139.8262   3.310222 0.2636261 3.848852 
1 1 1   13    3   13 o 143.9981 2.156349  234.3974 4.277720   227.5000 6.400000   248.3000 12.90000   140.9098 1.983255   147.0864   3.829630 -6.176620 4.312698 
1 1 1   13    3   14 o 235.4020 2.566186  632.7768 8.747757   622.8000 13.70000   650.4000 24.20000   233.0339 2.567091   237.7702   4.444242 -4.736282 5.132372 
1 1 1   13    3   15 o 60.74564 2.013360  42.98182 1.870130   45.60000 3.200000   39.30000 4.500000   63.04211 2.216455   58.44916   3.361816 4.592953 4.026721 
1 1 1   13    3   16 o 91.56120 1.850058  95.91887 2.437736   94.70000 3.800000   98.10000 6.800000   90.84998 1.826411   92.27241   3.217931 -1.422424 3.700116 
1 1 1   13    3   17 o 76.93045 1.934638  67.36129 2.098925   65.40000 3.200000   71.10000 6.100000   75.46021 1.851705   78.40070   3.397423 -2.940498 3.869275 
1 1 1   13    3   18 o 91.36388 1.732879  96.69091 2.317172   97.70000 3.700000   95.00000 6.200000   92.18145 1.752661   90.54632   2.989927 1.635132 3.465759 
1 1 1   13    3   19 o 33.15512 4.363609  14.98941 2.018823   18.60000 3.300000   9.300000 5.200000   39.78791 3.621617   26.52232   7.940291 13.26559 8.727218 
1 1 1   13    3   20 o 47.38030 2.816763  27.65062 1.913580   30.10000 3.100000   23.70000 5.000000   50.76517 2.666463   43.99543   4.962518 6.769741 5.633526 
1 1 1   13    3   21 o 42.74961 3.121056  22.83415 1.902439   23.20000 3.000000   22.20000 5.200000   44.15556 2.966713   41.34366   5.492045 2.811897 6.242111 
1 1 1   13    3   22 o 16.75146 4.399105  3.323437 1.523438   1.800000 2.500000   5.700000 3.900000   13.60568 5.392796   19.89723   6.951709 -6.291549 8.798210 
1 1 1   13    5    0 o 43.27647 1.145455  21.47812 0.7968750   21.90000 1.500000   21.00000 1.700000   43.73080 1.497764   42.82214   1.733486 0.9086609 2.290910 
1 1 1   13    5    1 o 102.5314 2.001616  120.4000 4.700000   120.4000 4.700000          ?        ?   102.5314 2.001616          ?          ?       ?       ? 
1 1 1   13    5    2 o 336.7455 2.939426  1299.477 16.01622   1298.500 31.30000   1300.500 32.80000   336.6220 4.060145   336.8689   4.251602 -0.2469177 5.878851 
1 1 1   13    5    3 o 261.0489 2.986901  783.4728 12.02722   766.4000 29.10000   795.5000 20.50000   258.5836 4.913960   263.5141   3.396955 -4.930420 5.973802 
1 1 1   13    5    4 o 208.3045 2.061537  496.9640 6.941007   496.0000 13.40000   498.0000 14.40000   208.0971 2.811761   208.5119   3.015583 -0.4148407 4.123074 
1 1 1   13    5    5 o 289.9756 3.553778  963.3000 23.60000   963.3000 23.60000          ?        ?   289.9756 3.553778          ?          ?       ?       ? 
1 1 1   13    5    6 o 383.1809 4.991257  0.000000 0.000000          ?        ?   1682.900 43.80000          ?        ?   383.1809   4.991257       ?       ? 
1 1 1   13    5    7 o 177.4940 1.836940  361.0753 5.272038   368.3000 10.30000   353.5000 10.80000   179.3159 2.508177   175.6722   2.684482 3.643723 3.673880 
1 1 1   13    5    8 o 440.9420 3.711463  2229.734 26.49538   2224.800 52.30000   2234.800 53.70000   440.4558 5.184884   441.4281   5.311950 -0.9722595 7.422926 
1 1 1   13    5    9 o 85.92768 1.455074  83.97778 2.000000   78.20000 3.600000   91.20000 4.500000   82.62778 1.902462   89.22758   2.202182 -6.599792 2.910149 
1 1 1   13    5   10 o 246.7984 2.364496  698.1127 9.447619   689.6000 18.60000   706.9000 19.20000   245.2723 3.311343   248.3245   3.376148 -3.052200 4.728992 
1 1 1   13    5   11 o 147.2105 1.699569  247.9370 4.034568   240.9000 7.600000   255.9000 8.600000   144.9930 2.288791   149.4279   2.513080 -4.434906 3.399137 
1 1 1   13    5   12 o 158.4566 1.967862  287.6604 5.045545   273.3000 9.800000   302.9000 10.40000   154.3847 2.771797   162.5284   2.794111 -8.143692 3.935723 
1 1 1   13    5   13 o 128.1283 2.219975  189.3333 3.866667   191.0000 5.800000   186.0000 11.60000   129.0837 1.961988   127.1729   3.982933 1.910782 4.439950 
1 1 1   13    5   14 f 106.5716 1.829758  128.7041 2.677686   125.2000 4.000000   135.8000 8.100000   104.4997 1.671417   108.6436   3.255522 -4.143929 3.659516 
1 1 1   13    5   15 o 138.2488 2.160050  221.9902 4.203804   226.3000 6.500000   214.1000 11.90000   140.3963 2.021610   136.1012   3.817901 4.295090 4.320101 
1 1 1   13    5   16 o 40.30171 3.034806  18.02078 1.651948   16.40000 2.400000   21.60000 5.300000   37.71700 2.778522   42.88642   5.396297 -5.169418 6.069613 
1 1 1   13    5   17 o 29.84209 3.660890  10.46667 1.681159   6.600000 2.900000   15.80000 4.000000   23.09371 5.551821   36.59047   4.773443 -13.49676 7.321781 
1 1 1   13    5   18 o 68.69730 1.870291  53.98313 2.007229   49.60000 3.400000   60.30000 4.900000   65.47284 2.267553   71.92176   2.974921 -6.448921 3.740582 
1 1 1   13    5   19 o 42.73359 2.936752  21.64625 1.898750   20.60000 3.100000   23.30000 4.900000   41.80467 3.237998   43.66251   4.900350 -1.857841 5.873505 
1 1 1   13    5   20 o 13.53360 4.094779 0.9666666 1.400000  0.8000000 2.100000   1.300000 4.200000   11.65792 4.823240   15.40929   6.618552 -3.751372 8.189559 
1 1 1   13    5   21 o 12.75116 4.152604 -1.339286 1.832143  0.3000000 2.700000  -4.800000 5.700000   12.08114 5.247831   13.42117   6.437138 -1.340022 8.305208 
1 1 1   13    7    0 f 314.3245 2.878136  1131.965 14.64932   1144.500 29.50000   1119.600 29.10000   316.0527 4.075700   312.5962   4.064892 3.456451 5.756273 
1 1 1   13    7    1 o 146.4149 1.985024  240.7817 4.365592   267.1000 11.60000   224.9000 7.000000   152.6970 3.317167   140.1329   2.181211 12.56410 3.970047 
1 1 1   13    7    2 o 321.1951 2.938124  1181.572 15.24517   1166.900 29.20000   1197.600 31.90000   319.1188 3.995491   323.2713   4.308868 -4.152466 5.876248 
1 1 1   13    7    3 o 203.7288 2.106604  475.3424 6.946763   468.2000 13.60000   482.8000 14.20000   202.1661 2.937449   205.2915   3.020349 -3.125397 4.213208 
1 1 1   13    7    4 o 60.70636 1.458495  42.38947 1.421053   44.90000 2.700000   39.60000 3.000000   62.61322 1.882944   58.79950   2.227857 3.813721 2.916989 
1 1 1   13    7    5 f 116.3655 1.500065  155.1345 2.823009   153.8000 5.800000   156.4000 5.500000   115.8768 2.185603   116.8542   2.055219 -0.9774094 3.000130 
1 1 1   13    7    6 o 82.72558 1.531653  78.43658 2.048780   79.90000 4.000000   76.90000 4.200000   83.51810 2.091313   81.93305   2.238360 1.585052 3.063306 
1 1 1   13    7    7 o 120.6517 1.529635  166.1823 2.927731   161.9000 5.200000   171.7000 6.700000   118.8854 1.909917   122.4180   2.389843 -3.532570 3.059269 
1 1 1   13    7    8 o 150.7122 1.730970  260.0811 4.221302   267.7000 8.700000   252.9000 8.200000   152.8535 2.485327   148.5709   2.410016 4.282669 3.461939 
1 1 1   13    7    9 o 194.8162 2.165799  435.4626 6.817583   441.7000 13.20000   428.8000 14.10000   196.2712 2.936682   193.3611   3.184122 2.910126 4.331598 
1 1 1   13    7   10 o 143.0192 1.630402  234.5285 3.774834   230.2000 7.600000   238.8000 7.500000   141.7053 2.341894   144.3331   2.269003 -2.627823 3.260804 
1 1 1   13    7   11 o 83.17932 1.627532  79.34368 2.140230   79.40000 4.900000   79.30000 3.800000   83.18921 2.571987   83.16943   1.995076 0.1977539E-01 3.255065 
1 1 1   13    7   12 o 113.5947 1.702735  148.1032 3.108800   147.5000 5.800000   148.8000 6.700000   113.3665 2.233999   113.8229   2.570305 -0.4564438 3.405469 
1 1 1   13    7   13 o 63.27276 1.830025  46.03067 1.874667   44.60000 3.700000   47.50000 3.800000   62.27571 2.594316   64.26981   2.581762 -1.994106 3.660050 
1 1 1   13    7   14 o 21.88454 3.871819  5.747272 1.352727   4.700000 2.400000   7.100000 3.100000   19.67740 5.234472   24.09167   5.706510 -4.414276 7.743639 
1 1 1   13    7   15 o 38.89043 2.683847  17.84546 1.648485   12.90000 3.200000   23.10000 3.400000   33.18520 4.210613   44.59565   3.329094 -11.41046 5.367693 
1 1 1   13    7   16 o 71.39505 1.911659  58.36818 2.127273   54.40000 3.600000   64.10000 5.200000   68.59962 2.291503   74.19048   3.060518 -5.590858 3.823317 
1 1 1   13    7   17 o 42.06897 2.715345  20.92432 1.848649   20.00000 3.600000   21.90000 3.800000   41.12072 3.822799   43.01721   3.857279 -1.896492 5.430690 
1 1 1   13    7   18 f 29.49301 4.590962  11.18256 1.922093   9.800000 2.900000   13.90000 5.700000   28.21123 4.488650   30.77480   8.009979 -2.563570 9.181925 
1 1 1   13    7   19 o 12.34799 3.750686 -0.5557378 1.504918   2.100000 2.700000  -3.900000 3.400000   14.38736 5.634986   10.30863   4.951517 4.078732 7.501372 
1 1 1   13    7   20 o 32.95453 4.648767  16.28202 1.840449   17.10000 2.600000   14.30000 6.300000   37.62681 3.017280   28.28224   8.794325 9.344570 9.297533 
1 1 1   13    9    0 o 227.7769 2.243817  594.7544 8.274321   600.7000 16.40000   588.7000 16.70000   228.9292 3.128113   226.6246   3.217727 2.304596 4.487634 
1 1 1   13    9    1 o 202.7007 2.049566  470.2892 6.704089   459.1000 12.70000   482.8000 14.20000   200.1575 2.770586   205.2439   3.021049 -5.086441 4.099132 
1 1 1   13    9    2 o 184.3368 1.968063  389.3183 5.874043   395.8000 11.90000   383.0000 11.60000   185.8511 2.795900   182.8224   2.770565 3.028671 3.936125 
1 1 1   13    9    3 o 205.2033 1.987199  482.7349 6.598485   491.5000 13.00000   473.7000 13.40000   207.0997 2.740966   203.3070   2.878010 3.792725 3.974397 
1 1 1   13    9    4 f 98.40266 1.788424  110.9544 2.849123   113.6000 5.800000   108.4000 5.600000   99.55473 2.543934   97.25059   2.514406 2.304138 3.576848 
1 1 1   13    9    5 o 217.7254 2.098969  543.6182 7.399662   540.9000 14.90000   546.3000 14.70000   217.1818 2.995729   218.2690   2.940797 -1.087219 4.197937 
1 1 1   13    9    6 o 186.2267 1.957000  397.7360 5.896186   397.2000 11.50000   398.3000 12.10000   186.1054 2.698228   186.3481   2.835307 -0.2427368 3.914000 
1 1 1   13    9    7 o 142.3907 1.789122  232.3624 4.117576   238.2000 8.600000   227.0000 7.900000   144.0975 2.606044   140.6839   2.452012 3.413635 3.578244 
1 1 1   13    9    8 o 110.1067 1.752934  139.1320 3.123200   138.4000 6.100000   139.9000 6.400000   109.8155 2.425527   110.3979   2.531390 -0.5824051 3.505869 
1 1 1   13    9    9 o 81.88506 1.698337  76.83146 2.161798   76.00000 3.700000   78.00000 5.200000   81.39002 1.985044   82.38008   2.756264 -0.9900589 3.396674 
1 1 1   13    9   10 o 60.58348 1.761675  42.23478 1.721739   43.00000 3.300000   41.40000 3.600000   61.17060 2.355651   59.99637   2.620096 1.174225 3.523350 
1 1 1   13    9   11 o 30.20177 3.100292  11.02105 1.414035   12.80000 2.600000   8.900000 3.100000   33.26520 3.412895   27.13834   5.176814 6.126860 6.200585 
1 1 1   13    9   12 o 19.86926 3.994076  4.752632 1.421053   6.600000 2.700000   2.700000 3.000000   23.21592 5.206668   16.52260   6.058149 6.693316 7.988151 
1 1 1   13    9   13 o 78.83474 2.339113  72.75470 2.847863   75.10000 4.900000   69.50000 6.800000   80.57848 2.655319   77.09100   3.851634 3.487488 4.678226 
1 1 1   13    9   14 o 14.95992 4.137298     -0.10 1.771831  -5.100000 3.700000   4.500000 3.400000   10.63305 5.122041   19.28679   6.498742 -8.653733 8.274596 
1 1 1   13    9   15 o 31.14283 3.069663  11.67213 1.491803   11.80000 2.600000   11.50000 3.500000   31.57269 3.595850   30.71298   4.976061 0.8597012 6.139326 
1 1 1   13    9   16 o 21.13143 4.346892  6.009091 1.643939   7.700000 3.100000   4.100000 3.500000   24.10614 5.704220   18.15672   6.560774 5.949423 8.693784 
1 1 1   13    9   17 o 14.64686 4.353320  1.491429 1.737143   1.400000 3.200000   1.600000 3.800000   14.15800 5.913611   15.13571   6.390209 -0.9777098 8.706639 
1 1 1   13    9   18 o 31.47592 3.735801  13.31096 1.808219   8.700000 3.300000   18.90000 4.000000   24.67612 5.916198   38.27572   4.563272 -13.59960 7.471602 
1 1 1   13   11    0 o 91.69592 1.801406  96.44112 2.672897   94.40000 5.200000   98.60000 5.500000   90.70150 2.503390   92.69034   2.591003 -1.988838 3.602813 
1 1 1   13   11    1 o 65.21564 2.368169  48.24200 2.436000   44.00000 4.200000   54.10000 5.800000   61.88078 2.963693   68.55051   3.694511 -6.669727 4.736337 
1 1 1   13   11    2 o 70.31041 1.841811  56.35476 2.080952   50.70000 3.800000   63.20000 4.600000   66.44911 2.497090   74.17171   2.708066 -7.722603 3.683623 
1 1 1   13   11    3 o 107.4619 1.884331  132.7611 3.270229   134.3000 6.300000   131.1000 6.800000   108.1263 2.544186   106.7974   2.780275 1.328903 3.768662 
1 1 1   13   11    4 o 17.08426 3.769063  2.053333 1.498333   6.500000 2.900000  -2.700000 3.100000   23.16694 5.540667   11.00157   5.111197 12.16537 7.538125 
1 1 1   13   11    5 o 93.82745 1.892166  101.1696 2.869565   98.30000 5.500000   104.3000 6.000000   92.45036 2.597729   95.20456   2.751904 -2.754204 3.784332 
1 1 1   13   11    6 o 18.43604 4.793238  2.446250 1.938750 -0.4000000 3.300000   6.500000 4.700000   13.35762 5.802001   23.51447   7.631337 -10.15685 9.586476 
1 1 1   13   11    7 o 36.54450 4.802140  15.86422 2.532110   14.80000 4.000000   17.70000 6.900000   35.56507 4.911068   37.52393   8.253703 -1.958858 9.604280 
1 1 1   13   11    8 o 19.86469 4.503119  4.580597 1.671642   3.100000 3.200000   6.200000 3.500000   17.32702 6.271406   22.40235   6.463882 -5.075327 9.006237 
1 1 1   13   11    9 o 18.23722 4.522971  3.533333 1.553030   2.700000 2.500000   4.900000 4.100000   15.83144 5.563873   20.64300   7.132488 -4.811557 9.045942 
1 1 1   13   11   10 o 13.87726 4.059545 0.8216667 1.498333   0.000000 2.900000   1.700000 3.100000   12.69790 5.477146   15.05662   5.993371 -2.358721 8.119090 
1 1 1   13   11   11 o 19.21620 4.176819  4.042857 1.542857   8.100000 3.600000   1.000000 2.700000   25.02930 6.288424   13.40310   5.498999 11.62620 8.353638 
1 1 1   13   11   12 o 25.36935 4.755733  8.798750 1.988750   9.400000 3.700000   8.100000 4.300000   26.56389 6.195752   24.17480   7.216691 2.389091 9.511465 
1 1 1   13   11   13 o 18.23774 4.291574  4.041176 1.647059   6.100000 2.800000   1.100000 4.000000   21.37656 5.638381   15.09891   6.471406 6.277655 8.583149 
1 1 1   13   11   14 o 52.11833 2.693087  32.93846 2.252747   30.10000 4.100000   36.40000 5.000000   49.82154 3.593406   54.41512   4.012270 -4.593571 5.386175 
1 1 1   13   11   15 o 16.71163 4.302127  2.426760 1.757746   7.700000 3.900000  -1.900000 3.200000   22.45433 6.909024   10.96894   5.128214 11.48540 8.604255 
1 1 1   13   13    0 o 16.27064 4.042742  1.945902 1.524590  -1.300000 3.000000   5.300000 3.100000   11.76526 5.296698   20.77602   6.109014 -9.010762 8.085485 
1 1 1   13   13    1 o 21.86553 4.996689  5.700000 2.000000   4.500000 3.600000   7.200000 4.500000   19.70923 6.686923   24.02184   7.426485 -4.312605 9.993379 
1 1 1   13   13    2 o 26.49756 4.263941  9.091892 1.783784   11.20000 3.000000   6.000000 4.400000   30.81616 4.250915   22.17896   7.392868 8.637203 8.527882 
1 1 1   13   13    3 o 20.93047 4.346974  5.490476 1.574603   4.900000 3.100000   6.100000 3.200000   19.89816 6.165966   21.96278   6.129077 -2.064625 8.693948 
1 1 1   13   13    4 o 33.80917 3.060360  13.55075 1.656716   12.70000 3.000000   14.60000 3.700000   32.72847 4.002536   34.88987   4.630651 -2.161407 6.120721 
1 1 1   13   13    5 o 10.91468 3.627096 -2.830769 1.593846  -2.400000 2.800000  -3.400000 3.700000   10.27097 4.800300   11.55839   5.438788 -1.287419 7.254192 
1 1 1   13   13    6 o 19.51885 4.587154  4.760294 1.698529   5.100000 3.300000   4.400000 3.500000   20.02038 6.383937   19.01732   6.588875 1.003057 9.174308 
1 1 1   13   13    7 o 29.40874 3.376722  10.84355 1.524194   10.80000 2.700000   10.90000 3.500000   29.86715 3.947388   28.95033   5.479701 0.9168129 6.753443 
1 1 1   13   13    8 f 19.03041 4.576506  4.510959 1.816438   6.700000 3.400000   2.000000 3.900000   22.14817 6.365171   15.91265   6.577401 6.235519 9.153011 
1 1 1   13   13    9 o 17.21084 4.399556  3.443662 1.695775   5.100000 2.800000  0.9000000 4.300000   19.33830 5.834967   15.08338   6.586163 4.254922 8.799112 
1 1 1   13   13   10 o 12.21096 4.069417 -3.609890 2.103297  -8.900000 5.800000 -0.6000000 3.300000   12.08789 5.949483   12.33404   5.553761 -0.2461462 8.138834 
1 1 1   13   13   11 o 20.82162 5.429641  6.418367 2.326531   11.50000 6.000000   3.200000 3.800000   25.31767 8.632571   16.32558   6.588075 8.992090 10.85928 
1 1 1   13   15    0 o 17.33699 4.701685  3.636487 1.844595   3.400000 3.500000   3.900000 3.900000   16.89474 6.469479   17.77923   6.824164 -0.8844891 9.403370 
1 1 1   13   15    1 o 15.72725 5.250529 -2.918116 3.403623  -4.200000 6.100000  -1.300000 7.700000   14.26708 6.792416   17.18743   8.008452 -2.920347 10.50106 
1 1 1   13   15    2 o 29.88150 4.529014  12.62941 2.117647   12.10000 4.500000   13.10000 4.000000   28.79642 6.911478   30.96659   5.854856 -2.170168 9.058027 
1 1 1   13   15    3 o 17.23244 4.923471  3.644706 2.122353   3.500000 4.100000   3.800000 4.400000   16.98990 6.847744   17.47499   7.076062 -0.4850864 9.846942 
1 1 1   13   15    4 o 25.80819 5.028511  10.35258 2.412371   4.600000 4.500000   17.00000 5.200000   18.11587 7.217880   33.50050   7.003276 -15.38463 10.05702 
1 1 1   14    0    0 o 25.50736 1.204438  7.500000 0.7000000   7.500000 0.7000000   7.500000 0.7000000   25.50736 1.204438   25.50736   1.204438 0.000000 0.000000 
1 1 1   14    0    1 o 322.7189 3.911622  1193.500 28.90000   1193.500 28.90000   1193.500 28.90000   322.7189 3.911622   322.7189   3.911622 0.000000 0.000000 
1 1 1   14    0    2 o 22.88342 1.740513  6.100000 0.9000000   6.100000 0.9000000   6.100000 0.9000000   22.88342 1.740513   22.88342   1.740513 0.000000 0.000000 
1 1 1   14    0    3 o 29.75684 1.326676  10.20000 0.9000000   10.20000 0.9000000   10.20000 0.9000000   29.75684 1.326676   29.75684   1.326676 0.000000 0.000000 
1 1 1   14    0    4 o 71.22846 1.718762  58.20000 2.800000   58.20000 2.800000   58.20000 2.800000   71.22846 1.718762   71.22846   1.718762 0.000000 0.000000 
1 1 1   14    0    5 o 375.9331 4.624451  1619.700 39.80000   1619.700 39.80000   1619.700 39.80000   375.9331 4.624451   375.9331   4.624451 0.000000 0.000000 
1 1 1   14    0    6 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   14    0    7 o 50.23293 1.743286  29.00000 2.000000   29.00000 2.000000   29.00000 2.000000   50.23293 1.743286   50.23293   1.743286 0.000000 0.000000 
1 1 1   14    0    8 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   14    0    9 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   14    0   10 o 4.967371 3.526233 -2.300000 1.700000  -2.300000 1.700000  -2.300000 1.700000   4.967371 3.526233   4.967371   3.526233 0.000000 0.000000 
1 1 1   14    0   11 o 203.1989 2.773259  473.2000 12.90000   473.2000 12.90000   473.2000 12.90000   203.1989 2.773259   203.1989   2.773259 0.000000 0.000000 
1 1 1   14    0   12 o 281.1640 3.557723  906.2000 22.90000   906.2000 22.90000   906.2000 22.90000   281.1640 3.557723   281.1640   3.557723 0.000000 0.000000 
1 1 1   14    0   13 o 140.9575 2.355800  227.8000 7.600000   227.8000 7.600000   227.8000 7.600000   140.9575 2.355800   140.9575   2.355800 0.000000 0.000000 
1 1 1   14    0   14 o 105.0856 2.287832  126.7000 5.500000   126.7000 5.500000   126.7000 5.500000   105.0856 2.287832   105.0856   2.287832 0.000000 0.000000 
1 1 1   14    0   15 o 6.636732 4.746148 -5.100000 3.300000  -5.100000 3.300000  -5.100000 3.300000   6.636732 4.746148   6.636732   4.746148 0.000000 0.000000 
1 1 1   14    0   16 o 47.20873 2.608051  25.80000 2.800000   25.80000 2.800000   25.80000 2.800000   47.20873 2.608051   47.20873   2.608051 0.000000 0.000000 
1 1 1   14    0   17 o 54.40265 2.908487  34.30000 3.600000   34.30000 3.600000   34.30000 3.600000   54.40265 2.908487   54.40265   2.908487 0.000000 0.000000 
1 1 1   14    0   18 o 51.29028 2.655412  30.50000 3.100000   30.50000 3.100000   30.50000 3.100000   51.29028 2.655412   51.29028   2.655412 0.000000 0.000000 
1 1 1   14    0   19 o 46.57628 3.126096  25.40000 3.300000   25.40000 3.300000   25.40000 3.300000   46.57628 3.126096   46.57628   3.126096 0.000000 0.000000 
1 1 1   14    0   20 o 44.35364 3.290440  23.20000 3.300000   23.20000 3.300000   23.20000 3.300000   44.35364 3.290440   44.35364   3.290440 0.000000 0.000000 
1 1 1   14    0   21 o 37.45701 3.324335  16.80000 2.800000   16.80000 2.800000   16.80000 2.800000   37.45701 3.324335   37.45701   3.324335 0.000000 0.000000 
1 1 1   14    0   22 o 18.50416 8.750490  6.700000 4.200000   6.700000 4.200000   6.700000 4.200000   18.50416 8.750490   18.50416   8.750490 0.000000 0.000000 
1 1 1   14    2    0 o 299.8763 2.620666  1030.412 12.72495   1049.600 25.50000   1011.300 25.40000   302.6644 3.678905   297.0882   3.733258 5.576202 5.241332 
1 1 1   14    2    1 o 56.44439 0.9571595  36.45714 0.8742857   38.00000 1.800000   35.00000 1.700000   57.60466 1.364440   55.28413   1.342728 2.320534 1.914319 
1 1 1   14    2    2 o 241.7210 2.596693  662.1346 8.924173   644.6000 13.70000   694.9000 25.60000   237.2247 2.521741   246.2174   4.540053 -8.992691 5.193386 
1 1 1   14    2    3 o 238.3504 2.601475  654.9902 8.976166   666.1000 14.20000   635.9000 24.40000   241.1518 2.571210   235.5490   4.523226 5.602829 5.202950 
1 1 1   14    2    4 o 326.9767 3.190198  1232.990 15.22949   1255.200 24.30000   1195.700 40.80000   331.0152 3.205517   322.9383   5.516713 8.076935 6.380396 
1 1 1   14    2    5 o 164.8386 1.867110  310.7876 4.488083   309.5000 7.100000   313.0000 12.20000   164.3898 1.885919   165.2873   3.222997 -0.8975067 3.734221 
1 1 1   14    2    6 o 186.2875 2.221312  391.0333 5.733334   377.5000 8.600000   418.1000 17.20000   181.5532 2.068398   191.0217   3.931746 -9.468491 4.442623 
1 1 1   14    2    7 o 333.9045 3.662681  1283.945 19.00513   1316.000 32.90000   1240.100 45.00000   338.9112 4.238867   328.8979   5.974356 10.01324 7.325361 
1 1 1   14    2    8 o 114.3566 1.520920  150.9306 2.736937   158.7000 4.900000   141.1000 6.200000   117.7190 1.817562   110.9942   2.439109 6.724823 3.041839 
1 1 1   14    2    9 f 260.4456 2.737401  778.3876 10.30247   781.3000 16.20000   773.3000 28.30000   261.1650 2.708569   259.7261   4.757847 1.438843 5.474802 
1 1 1   14    2   10 o 69.35793 1.539231  53.58657 1.477612   50.50000 2.200000   59.90000 4.500000   66.40535 1.446636   72.31051   2.717383 -5.905159 3.078462 
1 1 1   14    2   11 o 326.5748 3.296623  1232.976 16.00800   1263.600 26.10000   1184.400 41.40000   332.0101 3.432645   321.1395   5.629196 10.87067 6.593246 
1 1 1   14    2   12 o 121.6401 1.658206  171.1158 3.051968   177.3000 5.100000   161.9000 7.600000   124.4156 1.789925   118.8645   2.791909 5.551170 3.316412 
1 1 1   14    2   13 o 148.9540 2.030612  252.2333 4.295238   247.1000 6.600000   261.8000 12.30000   146.8545 1.962439   151.0534   3.555611 -4.198883 4.061224 
1 1 1   14    2   14 o 202.2921 2.456136  471.8981 7.140453   476.9000 11.20000   463.1000 19.70000   203.9343 2.398100   200.6499   4.287134 3.284470 4.912271 
1 1 1   14    2   15 f 102.2888 1.754154  118.2368 2.652632   112.6000 4.200000   127.9000 7.200000   99.09135 1.850773   105.4862   2.980413 -6.394867 3.508308 
1 1 1   14    2   16 o 129.5120 1.823041  189.6333 3.483333   180.1000 5.500000   206.1000 9.500000   125.2680 1.917178   133.7560   3.101344 -8.488068 3.646081 
1 1 1   14    2   17 o 40.25574 2.374503  18.52903 1.524194   16.70000 2.700000   20.90000 3.500000   38.02940 3.100159   42.48209   3.597509 -4.452690 4.749006 
1 1 1   14    2   18 o 123.4549 1.647977  177.2617 3.067969   182.8000 5.100000   168.9000 7.700000   126.0856 1.766219   120.8242   2.782766 5.261414 3.295954 
1 1 1   14    2   19 o 33.80796 3.713919  12.90000 1.843902   10.10000 2.800000   18.30000 5.400000   29.15574 4.193471   38.46018   6.130871 -9.304436 7.427838 
1 1 1   14    2   20 o 44.63722 2.917107  23.38795 1.915663   21.40000 3.000000   26.90000 5.300000   42.59509 3.075399   46.67936   4.957819 -4.084267 5.834214 
1 1 1   14    2   21 o 24.51957 4.461130  7.858904 1.701370   4.900000 2.700000   12.90000 4.600000   18.99964 5.729160   30.03951   6.839843 -11.03987 8.922260 
1 1 1   14    2   22 o 13.11936 4.171776 -0.7527777 1.661111  -3.100000 2.600000   3.400000 4.600000   8.984201 4.319163   17.25452   7.138607 -8.270317 8.343553 
1 1 1   14    4    0 o 59.73862 1.007687  40.72308 0.9692307   38.60000 1.800000   43.20000 2.100000   58.05786 1.353790   61.41939   1.492978 -3.361530 2.015374 
1 1 1   14    4    1 o 286.1783 2.470011  936.8347 11.42817   892.7000 21.90000   985.0000 23.90000   279.1432 3.425758   293.2133   3.559213 -14.07007 4.940022 
1 1 1   14    4    2 o 167.3343 1.661185  320.7200 4.497778   319.8000 9.200000   321.6000 8.800000   167.0986 2.404112   167.5700   2.293117 -0.4713898 3.322369 
1 1 1   14    4    3 f 142.2034 1.478809  231.8456 3.397059   238.3000 6.600000   225.0000 7.000000   144.2462 1.997925   140.1605   2.180781 4.085724 2.957619 
1 1 1   14    4    4 o 365.9137 3.219318  1534.521 19.07497   1550.200 38.10000   1518.800 38.20000   367.7876 4.523427   364.0398   4.581991 3.747864 6.438636 
1 1 1   14    4    5 o 439.8767 4.527139  2223.621 30.89835   2249.000 53.10000   2188.300 73.90000   442.9824 5.234169   436.7710   7.388059 6.211426 9.054277 
1 1 1   14    4    6 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   14    4    7 o 280.1863 2.585025  899.6567 11.72367   914.2000 23.20000   884.8000 23.70000   282.4789 3.586259   277.8936   3.723998 4.585297 5.170050 
1 1 1   14    4    8 o 204.2545 2.177769  477.5965 7.182986   486.3000 15.10000   469.7000 13.70000   206.0238 3.200363   202.4852   2.954385 3.538635 4.355538 
1 1 1   14    4    9 o 327.8740 3.448798  1232.834 17.44799   1232.300 29.60000   1233.600 42.50000   327.8793 3.942007   327.8687   5.660159 0.1055908E-01 6.897595 
1 1 1   14    4   10 o 154.3688 2.061463  273.5808 4.554040   274.8000 7.100000   271.4000 12.70000   154.8839 2.001667   153.8537   3.604421 1.030197 4.122927 
1 1 1   14    4   11 o 130.0949 1.629767  193.9556 3.259259   194.2000 5.500000   193.6000 8.000000   130.2078 1.844444   129.9821   2.687486 0.2256927 3.259533 
1 1 1   14    4   12 o 89.49695 1.672793  91.75625 2.348958   91.50000 4.100000   92.10000 5.500000   89.36220 2.003409   89.63169   2.679420 -0.2694931 3.345585 
1 1 1   14    4   13 o 20.46575 3.903895  4.947170 1.301887   4.600000 2.300000   5.400000 3.000000   19.61671 5.079549   21.31479   5.929567 -1.698084 7.807790 
1 1 1   14    4   14 o 102.9086 1.700215  119.9126 2.585586   115.0000 4.100000   128.3000 7.000000   100.1488 1.787630   105.6684   2.892628 -5.519569 3.400429 
1 1 1   14    4   15 o 73.70369 1.988790  62.36956 2.143478   62.00000 3.400000   63.00000 5.800000   73.49338 2.020089   73.91399   3.426424 -0.4206161 3.977579 
1 1 1   14    4   16 o 36.80225 3.204537  15.56027 1.610959   15.10000 2.400000   16.50000 4.900000   36.18027 2.896538   37.42423   5.717194 -1.243961 6.409075 
1 1 1   14    4   17 o 21.22981 3.905984  5.614286 1.335714   6.400000 2.200000   4.400000 3.400000   23.00562 4.334700   19.45400   6.499018 3.551628 7.811969 
1 1 1   14    4   18 o 29.67568 4.306013  11.53797 1.883544   13.50000 3.100000   8.500000 4.800000   33.82110 4.002337   25.53026   7.625503 8.290840 8.612026 
1 1 1   14    4   19 o 53.26731 1.826459  33.26291 1.524194   34.70000 2.700000   31.40000 3.500000   54.73128 2.154110   51.80335   2.950190 2.927933 3.652918 
1 1 1   14    4   20 o 41.46286 2.852436  19.96486 1.585135   18.10000 2.300000   24.10000 5.100000   39.25045 2.558721   43.67527   5.098874 -4.424820 5.704872 
1 1 1   14    4   21 o 22.31714 5.130610  6.627907 1.773256   5.000000 2.500000   10.60000 6.100000   19.24008 5.434443   25.39421   8.703991 -6.154135 10.26122 
1 1 1   14    6    0 o 85.27636 1.176693  83.10154 1.621538   91.00000 3.400000   75.90000 3.100000   89.14190 1.665470   81.41082   1.662721 7.731079 2.353387 
1 1 1   14    6    1 o 193.5830 1.851272  429.1966 5.793103   429.3000 12.00000   429.1000 11.20000   193.6041 2.706490   193.5619   2.526608 0.4219055E-01 3.702544 
1 1 1   14    6    2 o 167.8733 1.701310  322.6822 4.623784   333.2000 9.400000   312.5000 9.100000   170.5648 2.406456   165.1817   2.405576 5.383102 3.402621 
1 1 1   14    6    3 o 98.91153 1.264419  111.9741 2.022222   110.0000 3.900000   114.1000 4.200000   98.00697 1.737590   99.81609   1.837335 -1.809120 2.528838 
1 1 1   14    6    4 o 478.2753 4.906232  2608.131 35.96398   2538.800 59.90000   2712.300 90.00000   470.5511 5.558527   485.9994   8.086238 -15.44821 9.812465 
1 1 1   14    6    5 o 251.7439 3.312944  726.1000 19.10000   726.1000 19.10000          ?        ?   251.7439 3.312944          ?          ?       ?       ? 
1 1 1   14    6    6 o 189.6924 1.914890  412.5047 5.869787   420.8000 11.40000   403.7000 12.10000   191.6629 2.597206   187.7219   2.814558 3.941040 3.829781 
1 1 1   14    6    7 o 88.19699 2.029877  89.10000 4.100000   89.10000 4.100000          ?        ?   88.19699 2.029877          ?          ?       ?       ? 
1 1 1   14    6    8 o 204.6599 2.150555  480.1832 7.124210   488.0000 14.10000   472.2000 14.40000   206.3474 2.983732   202.9723   3.097886 3.375092 4.301111 
1 1 1   14    6    9 o 278.6207 2.543843  890.0377 11.46841   887.5000 22.40000   892.7000 23.50000   278.2221 3.515573   279.0192   3.677676 -0.7970886 5.087687 
1 1 1   14    6   10 o 208.4566 2.251648  498.2605 7.594737   493.1000 14.80000   503.7000 15.60000   207.3553 3.116637   209.5579   3.250576 -2.202621 4.503295 
1 1 1   14    6   11 o 24.97237 3.902945  7.483871 1.548387   5.500000 3.000000   9.600000 3.200000   21.49861 5.909979   28.44613   5.099417 -6.947525 7.805889 
1 1 1   14    6   12 o 111.7932 1.712808  143.4145 3.099194   144.3000 6.100000   142.5000 6.300000   112.1484 2.375070   111.4380   2.468579 0.7104111 3.425615 
1 1 1   14    6   13 o 42.27938 2.383548  20.64615 1.621538   19.60000 3.400000   21.60000 3.100000   41.23528 3.600391   43.32348   3.124482 -2.088203 4.767096 
1 1 1   14    6   14 o 38.90889 2.261205  17.41053 1.421053   19.20000 3.000000   15.80000 2.700000   40.80214 3.210540   37.01564   3.185064 3.786495 4.522411 
1 1 1   14    6   15 o 39.72867 2.683294  17.56377 1.594203   15.10000 2.500000   21.90000 4.400000   36.14926 3.019815   43.30808   4.436326 -7.158825 5.366589 
1 1 1   14    6   16 o 71.81442 2.202422  60.08969 2.177320   60.60000 3.300000   59.10000 6.400000   72.54875 1.986203   71.08009   3.931622 1.468658 4.404844 
1 1 1   14    6   17 o 22.25809 4.091256  6.371428 1.571429   8.800000 3.000000   3.700000 3.300000   26.55635 5.118377   17.95983   6.384020 8.596518 8.182512 
1 1 1   14    6   18 o 48.25419 3.051174  29.16552 1.965517   31.20000 3.000000   25.30000 5.700000   51.66861 2.535328   44.83977   5.550744 6.828838 6.102347 
1 1 1   14    6   19 o 38.43961 3.501576  18.20000 1.866667   16.80000 2.800000   21.00000 5.600000   37.39544 3.269483   39.48379   6.193111 -2.088356 7.003153 
1 1 1   14    6   20 o 21.27399 3.982916  6.025000 1.312500   5.200000 2.100000   7.400000 3.500000   19.87598 4.689298   22.67201   6.439330 -2.796028 7.965832 
1 1 1   14    8    0 o 337.0750 2.958600  1301.995 16.14443   1324.200 32.90000   1280.600 31.70000   339.8929 4.226624   334.2572   4.141123 5.635651 5.917200 
1 1 1   14    8    1 o 273.5654 2.557237  857.8375 11.32230   866.6000 22.30000   848.8000 23.00000   274.9897 3.541018   272.1412   3.690398 2.848419 5.114474 
1 1 1   14    8    2 f 118.2957 1.554991  160.2235 2.964706   161.6000 6.300000   159.0000 5.600000   118.7730 2.316128   117.8183   2.075462 0.9546585 3.109983 
1 1 1   14    8    3 o 146.6909 1.723064  245.5435 4.007362   238.4000 7.100000   254.8000 9.200000   144.2602 2.149075   149.1217   2.693933 -4.861511 3.446128 
1 1 1   14    8    4 o 71.08111 1.806876  57.99398 2.074699   61.60000 4.100000   54.30000 4.200000   73.32388 2.441620   68.83833   2.664150 4.485550 3.613752 
1 1 1   14    8    5 o 254.4589 2.536119  742.2933 10.44904   743.0000 21.10000   741.6000 20.70000   254.5761 3.619133   254.3416   3.553797 0.2344818 5.072238 
1 1 1   14    8    6 o 140.6163 1.806017  226.8909 4.084756   230.6000 7.700000   222.7000 8.700000   141.8512 2.370269   139.3814   2.725550 2.469742 3.612035 
1 1 1   14    8    7 o 62.45840 1.735177  44.80000 1.750000   40.90000 3.500000   48.70000 3.500000   59.73185 2.558596   65.18495   2.344555 -5.453098 3.470353 
1 1 1   14    8    8 o 93.81686 1.546394  100.7234 2.345745   94.50000 4.500000   107.5000 4.900000   90.79594 2.164142   96.83778   2.209485 -6.041840 3.092787 
1 1 1   14    8    9 o 40.80058 2.970060  19.38701 1.898701   20.80000 3.400000   17.60000 4.300000   42.53851 3.490088   39.06264   4.806695 3.475872 5.940120 
1 1 1   14    8   10 o 39.18956 2.835057  17.66389 1.794444   19.30000 3.800000   16.20000 3.400000   40.90051 4.056903   37.47861   3.961277 3.421898 5.670113 
1 1 1   14    8   11 o 129.5368 2.056094  193.3559 4.134706   194.4000 7.100000   191.9000 9.900000   130.0671 2.383585   129.0066   3.350913 1.060501 4.112188 
1 1 1   14    8   12 o 83.10520 2.217122  78.31017 2.783898   73.20000 4.500000   86.60000 7.300000   79.74708 2.463982   86.46333   3.686639 -6.716248 4.434243 
1 1 1   14    8   13 o 19.08912 4.126269  3.485075 1.674627   7.900000 3.400000 -0.8000000 3.300000   25.27202 5.969681   12.90622   5.698009 12.36580 8.252539 
1 1 1   14    8   14 f 23.20972 4.407614  6.529578 1.757746   3.600000 3.200000   10.10000 3.900000   18.00105 6.296571   28.41839   6.169395 -10.41734 8.815228 
1 1 1   14    8   15 o 32.29592 3.485415  12.96232 1.707246   14.40000 3.100000   11.20000 3.800000   34.86062 3.882990   29.73122   5.789202 5.129395 6.970830 
1 1 1   14    8   16 o 20.98119 4.208398  5.700000 1.485000   4.800000 2.700000   6.800000 3.300000   19.28712 5.709680   22.67525   6.184012 -3.388130 8.416796 
1 1 1   14    8   17 o 22.26783 4.593421  6.547369 1.867105   2.900000 3.300000   11.30000 4.300000   16.18302 6.259621   28.35264   6.724225 -12.16962 9.186842 
1 1 1   14    8   18 o 10.80011 3.629768 -3.991667 1.794444  -1.300000 3.400000  -7.000000 3.800000   11.96113 5.483059   9.639091   4.757828 2.322042 7.259536 
1 1 1   14   10    0 f 208.4496 2.096193  498.1912 7.070672   502.7000 14.50000   493.9000 13.80000   209.3636 3.024173   207.5356   2.903529 1.827972 4.192387 
1 1 1   14   10    1 f 224.4416 2.300383  577.6886 8.320060   572.8000 15.70000   583.2000 17.70000   223.4572 3.067927   225.4261   3.428537 -1.968887 4.600766 
1 1 1   14   10    2 o 96.75780 1.962401  107.3415 3.073171   109.8000 6.300000   105.0000 6.000000   97.83682 2.811758   95.67876   2.738264 2.158058 3.924803 
1 1 1   14   10    3 o 99.28159 2.183818  113.1406 3.327536   113.1000 5.600000   113.2000 8.200000   99.30486 2.462392   99.25832   3.607336 0.4653931E-01 4.367637 
1 1 1   14   10    4 o 34.47428 5.188273  13.75575 2.584071   12.80000 4.000000   15.50000 7.300000   33.28949 5.246777   35.65907   8.952322 -2.369587 10.37655 
1 1 1   14   10    5 o 81.58897 2.253181  75.74286 2.914286   70.00000 5.100000   83.40000 6.800000   78.05303 2.853120   85.12492   3.488124 -7.071884 4.506362 
1 1 1   14   10    6 o 17.80053 4.594999  2.634286 1.634286   1.000000 2.600000   5.400000 4.400000   13.56998 5.458804   22.03107   7.393072 -8.461087 9.189998 
1 1 1   14   10    7 o 30.07641 3.973775  11.03243 1.837838   13.10000 3.400000   8.600000 4.000000   33.61872 4.416086   26.53410   6.607703 7.084620 7.947550 
1 1 1   14   10    8 o 94.11985 1.966589  102.4542 2.881356   99.40000 6.800000   104.7000 5.000000   92.80824 3.199353   95.43147   2.287801 -2.623230 3.933178 
1 1 1   14   10    9 o 79.19832 1.871204  72.25208 2.398958   70.00000 4.700000   74.60000 4.900000   77.94077 2.633133   80.45587   2.659366 -2.515099 3.742408 
1 1 1   14   10   10 o 52.32787 2.127015  31.55556 1.777778   30.00000 3.200000   33.50000 4.000000   50.93599 2.743247   53.71975   3.251365 -2.783764 4.254031 
1 1 1   14   10   11 o 25.41717 4.142775  8.384722 1.765278   11.70000 3.100000   4.000000 4.100000   31.49438 4.298018   19.33995   7.083598 12.15443 8.285549 
1 1 1   14   10   12 o 27.94650 3.789191  9.714925 1.674627   8.700000 3.400000   10.70000 3.300000   26.11506 5.832289   29.77794   4.839037 -3.662886 7.578382 
1 1 1   14   10   13 o 16.34697 4.680887  2.093507 1.916883   2.000000 3.600000   2.200000 4.100000   15.91918 6.416475   16.77475   6.817012 -0.8555679 9.361773 
1 1 1   14   10   14 o 17.43803 4.493263  3.582090 1.674627   2.400000 3.300000   4.800000 3.400000   15.72062 6.206998   19.15544   6.498524 -3.434813 8.986526 
1 1 1   14   10   15 o 57.74440 2.480481  40.08901 2.175824   41.60000 5.500000   39.10000 3.600000   58.03370 4.138302   57.45510   2.735984 0.5786018 4.960963 
1 1 1   14   10   16 o 42.32199 2.910073  21.98750 1.955000   28.60000 4.600000   17.10000 3.400000   47.64433 4.215861   36.99964   4.012556 10.64469 5.820145 
1 1 1   14   12    0 o 36.71440 3.307924  15.74103 1.929487   15.30000 4.300000   16.10000 3.500000   36.17546 5.190320   37.25334   4.102443 -1.077873 6.615849 
1 1 1   14   12    1 o 56.85836 1.981533  37.21781 1.821918   35.30000 3.500000   39.30000 3.800000   55.33849 2.761725   58.37823   2.842316 -3.039749 3.963065 
1 1 1   14   12    2 o 28.99529 3.483693  10.41475 1.524590   14.30000 3.000000   6.400000 3.100000   35.12362 3.729595   22.86696   5.885116 12.25666 6.967386 
1 1 1   14   12    3 o 36.04190 3.163655  14.98649 1.816216   17.20000 4.200000   13.30000 3.200000   38.30247 4.788088   33.78132   4.136310 4.521152 6.327309 
1 1 1   14   12    4 o 19.45907 4.450402  4.327693 1.606154   2.900000 2.900000   6.100000 3.600000   16.66748 5.978212   22.25065   6.594339 -5.583170 8.900805 
1 1 1   14   12    5 o 49.89898 2.646109  29.05529 2.101177   29.10000 3.800000   29.00000 4.700000   50.04145 3.315839   49.75651   4.124655 0.2849426 5.292218 
1 1 1   14   12    6 o 12.46127 3.938807 -1.871642 1.656716  -4.200000 3.000000   1.000000 3.700000   9.642512 4.636621   15.28002   6.368558 -5.637507 7.877613 
1 1 1   14   12    7 o 37.37361 3.169998  16.35714 1.885714   13.40000 3.300000   20.30000 4.400000   33.56854 4.292608   41.17868   4.665734 -7.610138 6.339997 
1 1 1   14   12    8 o 14.43879 4.395945 0.1133333 1.866667  -1.100000 3.500000   1.500000 4.000000   12.80664 5.747025   16.07094   6.653497 -3.264293 8.791889 
1 1 1   14   12    9 o 15.94749 4.804863  1.218391 2.140230   1.500000 4.900000   1.000000 3.800000   16.89790 7.200332   14.99709   6.364121 1.900809 9.609726 
1 1 1   14   12   10 o 16.10235 4.293963  1.613889 1.798611   5.600000 3.500000  -2.600000 3.700000   20.40289 6.581806   11.80181   5.516549 8.601088 8.587927 
1 1 1   14   12   11 o 17.51462 4.708323  3.760000 1.848000   4.200000 3.300000   3.200000 4.200000   17.87160 6.380672   17.15764   6.925335 0.7139626 9.416647 
1 1 1   14   12   12 o 13.69542 3.963392 -1.486301 1.808219  -8.500000 4.000000   4.300000 3.300000   9.443979 4.699414   17.94686   6.383528 -8.502876 7.926785 
1 1 1   14   12   13 o 16.83168 4.584735  3.340000 1.872000  0.7000000 3.600000   6.200000 3.900000   13.57867 5.975086   20.08470   6.955397 -6.506034 9.169471 
1 1 1   14   14    0 o 11.93680 3.913870 -3.035065 1.870130  -6.600000 4.500000 -0.5000000 3.200000   11.29694 5.490957   12.57667   5.578792 -1.279732 7.827741 
1 1 1   14   14    1 o 19.26463 4.638224  4.532052 1.867949   6.400000 3.100000   1.700000 4.700000   21.88441 6.004224   16.64485   7.071193 5.239555 9.276447 
1 1 1   14   14    2 o 22.22837 4.780544  6.810390 1.922078   8.300000 3.700000   5.200000 4.000000   24.59861 6.478284   19.85813   7.031801 4.740477 9.561088 
1 1 1   14   14    3 o 33.06130 4.190412  14.32874 2.167816   10.70000 4.100000   18.40000 4.600000   27.97259 6.520536   38.15001   5.265054 -10.17742 8.380823 
1 1 1   14   14    4 o 14.05827 4.127019  1.328125 1.543750   2.100000 2.600000  0.2000000 3.800000   14.27384 5.546421   13.84269   6.112803 0.4311523 8.254038 
1 1 1   14   14    5 o 28.10810 4.835849  11.30000 2.107955   11.30000 3.500000   11.30000 5.300000   29.18396 5.436814   27.03223   7.998924 2.151728 9.671698 
1 1 1   14   14    6 o 20.12167 4.711930  5.633333 1.750000   5.300000 3.000000   6.100000 4.200000   19.61116 6.063832   20.63217   7.213812 -1.021002 9.423860 
1 1 1   14   14    7 o 10.08092 3.447634 -5.021127 1.771831  -2.100000 3.400000  -8.200000 3.700000   11.23289 5.262545   8.928935   4.455372 2.303960 6.895268 
1 1 1   15    1    0 o 272.9048 2.789212  862.8351 11.22653   892.3000 18.20000   815.4000 29.30000   279.0995 2.847424   266.7102   4.796978 12.38928 5.578425 
1 1 1   15    1    1 o 48.53019 0.7951263  26.92800 0.6240000   25.20000 1.200000   28.80000 1.300000   46.91074 1.116989   50.14965   1.131919 -3.238911 1.590253 
1 1 1   15    1    2 o 162.1302 1.637702  300.9163 4.297674   313.4000 8.800000   289.0000 8.400000   165.4149 2.322992   158.8455   2.309108 6.569458 3.275403 
1 1 1   15    1    3 o 642.5399 5.216219  4738.808 54.27489   4733.100 108.7000   4744.500 108.4000   642.1504 7.391499   642.9294   7.362168 -0.7789917 10.43244 
1 1 1   15    1    4 o 203.8845 1.991323  476.0004 6.572623   486.7000 13.40000   465.7000 12.90000   206.1321 2.838566   201.6370   2.793568 4.495102 3.982647 
1 1 1   15    1    5 o 212.2185 2.022755  515.9432 6.948561   512.9000 14.10000   518.9000 13.70000   211.6000 2.909666   212.8369   2.810692 -1.236877 4.045509 
1 1 1   15    1    6 o 373.3513 3.142779  1596.022 18.96632   1556.700 36.40000   1638.800 39.60000   368.5637 4.312494   378.1389   4.572814 -9.575226 6.285558 
1 1 1   15    1    7 o 371.2050 3.135674  1578.273 18.84151   1637.300 38.50000   1521.700 36.90000   377.9984 4.447444   364.4116   4.421544 13.58682 6.271348 
1 1 1   15    1    8 o 246.7966 2.258175  697.6426 9.023269   705.5000 18.30000   690.0000 17.80000   248.1664 3.219940   245.4268   3.166924 2.739609 4.516350 
1 1 1   15    1    9 o 305.4453 2.755108  1069.306 13.62385   1080.800 27.00000   1057.600 27.50000   307.1058 3.838976   303.7847   3.952816 3.321136 5.510217 
1 1 1   15    1   10 o 378.0915 3.217578  1639.167 19.69886   1643.500 39.70000   1634.900 39.10000   378.5841 4.578971   377.5989   4.521533 0.9851685 6.435156 
1 1 1   15    1   11 o 62.84718 1.588967  45.95714 1.542857   41.10000 3.600000   49.60000 2.700000   59.88996 2.624751   65.80441   1.791631 -5.914444 3.177933 
1 1 1   15    1   12 o 124.4747 1.674515  177.4185 3.370370   181.1000 7.000000   174.0000 6.500000   125.7170 2.431329   123.2324   2.303182 2.484642 3.349030 
1 1 1   15    1   13 o 120.2067 1.427785  165.2757 2.756757   161.6000 5.100000   169.6000 6.000000   118.7606 1.875156   121.6528   2.153618 -2.892227 2.855570 
1 1 1   15    1   14 o 162.5307 1.814736  302.9126 4.768586   306.8000 9.900000   299.3000 9.200000   163.5273 2.643533   161.5342   2.486928 1.993103 3.629473 
1 1 1   15    1   15 o 101.8427 1.425284  118.9064 2.345745   121.2000 4.900000   116.8000 4.500000   102.7778 2.081788   100.9076   1.947279 1.870171 2.850568 
1 1 1   15    1   16 o 106.2149 1.511230  129.2837 2.591346   136.0000 5.500000   123.3000 4.900000   108.8069 2.207221   103.6229   2.064810 5.184044 3.022460 
1 1 1   15    1   17 o 44.57683 2.169164  23.12258 1.543548   24.90000 2.900000   21.10000 3.300000   46.46388 2.725350   42.68978   3.375435 3.774105 4.338328 
1 1 1   15    1   18 o 47.42573 1.951717  25.93333 1.493333   23.60000 2.800000   28.60000 3.200000   45.15894 2.707410   49.69252   2.811892 -4.533588 3.903435 
1 1 1   15    1   19 o 43.83965 2.522824  23.47647 1.676471   18.00000 3.800000   27.80000 3.000000   38.81943 4.274390   48.85987   2.681073 -10.04044 5.045648 
1 1 1   15    1   20 o 30.87753 2.916567  11.65000 1.450000   10.30000 2.900000   13.00000 2.900000   28.96843 4.371322   32.78664   3.862253 -3.818218 5.833135 
1 1 1   15    1   21 o 24.61411 3.940120  8.183871 1.548387   10.30000 3.200000   6.200000 3.000000   28.01079 5.179206   21.21744   5.939192 6.793344 7.880240 
1 1 1   15    1   22 o 11.79430 3.836957 -1.020896 1.656716  -1.200000 3.000000 -0.8000000 3.700000   11.06426 5.100735   12.52433   5.733363 -1.460075 7.673913 
1 1 1   15    3    0 o 390.3872 3.302047  1746.929 20.87425   1758.800 42.00000   1735.200 41.50000   391.7046 4.681989   389.0699   4.657578 2.634674 6.604094 
1 1 1   15    3    1 o 233.1312 2.154155  622.6720 8.112000   624.4000 15.60000   620.8000 16.90000   233.4721 2.917624   232.7902   3.170017 0.6818848 4.308310 
1 1 1   15    3    2 o 221.5446 2.132427  562.1490 7.647059   567.4000 15.60000   557.1000 15.00000   222.5580 3.060702   220.5313   2.970030 2.026749 4.264854 
1 1 1   15    3    3 o 184.2447 1.778178  389.1075 5.298113   399.9000 10.40000   377.9000 10.80000   186.8527 2.430377   181.6366   2.596331 5.216049 3.556356 
1 1 1   15    3    4 o 108.2512 1.183681  134.1831 2.074699   135.6000 4.200000   132.8000 4.100000   108.8158 1.685377   107.6866   1.662500 1.129173 2.367362 
1 1 1   15    3    5 o 398.7439 4.208784  1792.273 24.79850   1700.500 39.20000   1950.300 67.50000   385.2122 4.443506   412.2755   7.149175 -27.06335 8.417567 
1 1 1   15    3    6 o 350.0706 3.442653  1403.900 27.60000   1403.900 27.60000          ?        ?   350.0706 3.442653          ?          ?       ?       ? 
1 1 1   15    3    7 f 371.5818 3.680692  1589.715 19.99813   1609.900 31.90000   1555.800 53.60000   374.8558 3.715918   368.3079   6.354677 6.547974 7.361383 
1 1 1   15    3    8 o 227.7996 2.380417  597.1806 8.005589   605.3000 12.90000   583.9000 21.10000   229.8808 2.450342   225.7183   4.081834 4.162445 4.760834 
1 1 1   15    3    9 o 35.25675 2.245254  13.65200 1.088000   12.50000 1.600000   16.10000 3.400000   33.03525 2.114862   37.47825   3.961314 -4.443005 4.490507 
1 1 1   15    3   10 o 91.90199 1.716331  96.44706 2.525490   93.20000 4.600000   100.4000 5.600000   90.19657 2.226935   93.60742   2.612266 -3.410851 3.432662 
1 1 1   15    3   11 o 237.4911 2.641968  648.8857 9.136479   655.1000 14.50000   638.3000 24.70000   239.1099 2.647952   235.8723   4.572563 3.237625 5.283937 
1 1 1   15    3   12 o 79.51842 1.693207  71.89302 2.055814   69.60000 3.400000   75.40000 5.200000   77.94070 1.904822   81.09615   2.799902 -3.155441 3.386413 
1 1 1   15    3   13 o 129.4637 1.691826  191.3175 3.147445   189.1000 4.900000   195.3000 8.800000   128.4654 1.665520   130.4620   2.945360 -1.996643 3.383652 
1 1 1   15    3   14 o 124.5785 1.895547  179.2449 3.416327   182.0000 5.400000   174.5000 9.300000   125.9825 1.871644   123.1746   3.296868 2.807930 3.791094 
1 1 1   15    3   15 o 52.66608 2.167414  31.57746 1.588732   30.80000 2.400000   33.10000 4.700000   51.80039 2.023103   53.53177   3.833769 -1.731380 4.334827 
1 1 1   15    3   16 o 22.51651 3.688032  6.784746 1.288136   9.200000 1.900000   1.700000 4.000000   28.23791 2.938061   16.79510   6.765657 11.44281 7.376064 
1 1 1   15    3   17 o 60.79175 1.424650  42.58750 1.398214   43.60000 2.700000   41.50000 2.900000   61.55752 1.915236   60.02598   2.109592 1.531540 2.849300 
1 1 1   15    3   18 o 11.86827 3.955447 -3.374359 1.867949  -2.500000 3.100000  -4.700000 4.700000   10.94265 5.092924   12.79390   6.053461 -1.851245 7.910895 
1 1 1   15    3   19 o 27.21466 4.798903  9.497675 2.093023   6.400000 3.600000   13.80000 5.000000   22.14407 6.601561   32.28525   6.966868 -10.14118 9.597805 
1 1 1   15    3   20 o 18.56007 4.503994  4.435294 1.694118   5.800000 3.200000   2.900000 3.600000   20.60881 6.242227   16.51133   6.494494 4.097486 9.007988 
1 1 1   15    3   21 o 15.07959 4.452770  1.830137 1.783562   2.000000 3.100000   1.600000 4.200000   14.66167 5.938549   15.49751   6.636435 -0.8358450 8.905540 
1 1 1   15    5    0 o 48.18634 1.187687  26.62703 0.9243243   27.60000 1.800000   25.60000 1.900000   49.09267 1.601016   47.28001   1.754752 1.812664 2.375375 
1 1 1   15    5    1 o 383.1332 3.243744  1682.228 20.12472   1701.500 40.40000   1663.100 40.10000   385.3202 4.578248   380.9461   4.596428 4.374084 6.487488 
1 1 1   15    5    2 o 465.2631 3.802559  2481.403 28.64782   2515.800 57.80000   2447.600 56.80000   468.4588 5.387610   462.0674   5.367631 6.391327 7.605117 
1 1 1   15    5    3 o 296.0306 2.607452  1003.670 12.49500   1020.500 25.50000   987.5000 24.50000   298.4616 3.730709   293.5995   3.643766 4.862122 5.214904 
1 1 1   15    5    4 o 108.1085 1.414685  133.8758 2.472727   134.7000 4.800000   133.0000 5.100000   108.4523 1.932601   107.7647   2.066490 0.6876068 2.829369 
1 1 1   15    5    5 o 106.4290 1.276554  129.6545 2.198864   136.2000 4.500000   123.4000 4.300000   109.0544 1.801810   103.8035   1.808823 5.250900 2.553108 
1 1 1   15    5    6 o 215.5781 2.085926  532.3777 7.260481   531.9000 13.90000   532.9000 15.20000   215.4812 2.816730   215.6749   3.077398 -0.1937714 4.171851 
1 1 1   15    5    7 o 274.5651 2.502108  863.8474 11.12449   856.1000 22.10000   871.7000 22.40000   273.3260 3.530620   275.8041   3.546394 -2.478088 5.004217 
1 1 1   15    5    8 o 143.3997 1.679282  235.4385 3.897436   243.9000 8.000000   227.4000 7.600000   145.9101 2.394111   140.8893   2.355457 5.020782 3.358563 
1 1 1   15    5    9 o 304.6603 2.746437  1064.245 13.54834   1078.400 27.40000   1050.400 26.80000   306.6620 3.901489   302.6586   3.866531 4.003418 5.492875 
1 1 1   15    5   10 o 83.61790 1.495170  80.02592 2.022222   83.50000 4.200000   76.80000 3.900000   85.36525 2.148364   81.87055   2.080064 3.494698 2.990340 
1 1 1   15    5   11 o 71.79945 1.724124  59.15500 1.995000   60.20000 3.800000   58.00000 4.200000   72.47237 2.289554   71.12655   2.578441 1.345818 3.448248 
1 1 1   15    5   12 o 83.17627 1.668760  79.54157 2.191011   80.90000 3.900000   77.80000 5.000000   84.00572 2.027195   82.34681   2.651325 1.658913 3.337520 
1 1 1   15    5   13 o 35.28280 2.813019  12.72308 1.344615   9.800000 1.900000   19.80000 4.600000   29.20176 2.841085   41.36383   4.855978 -12.16208 5.626037 
1 1 1   15    5   14 o 40.96980 3.022090  19.70000 1.666667   20.20000 2.500000   18.70000 5.000000   41.90964 2.604749   40.02997   5.454117 1.879665 6.044179 
1 1 1   15    5   15 o 67.57171 1.899567  51.43457 1.832099   48.60000 2.800000   56.80000 5.300000   65.04756 1.879606   70.09586   3.301591 -5.048294 3.799134 
1 1 1   15    5   16 o 48.22478 2.244224  27.32985 1.567164   28.30000 2.500000   25.70000 4.200000   49.55289 2.202981   46.89666   3.910633 2.656231 4.488449 
1 1 1   15    5   17 o 29.35250 4.116924  9.840260 1.722078   6.700000 2.600000   16.00000 5.100000   23.21105 5.035990   35.49394   6.514220 -12.28289 8.233849 
1 1 1   15    5   18 o 18.95162 4.578640  3.766667 1.533333   1.700000 2.300000   7.900000 4.600000   13.64469 5.239796   24.25855   7.510015 -10.61386 9.157281 
1 1 1   15    5   19 o 26.31564 3.751293  8.851613 1.509677   7.300000 2.600000   11.00000 3.600000   23.76877 4.937799   28.86251   5.648623 -5.093746 7.502587 
1 1 1   15    5   20 o 26.10642 4.006465  9.366667 1.553030   10.20000 2.500000   8.000000 4.100000   28.88335 3.779480   23.32948   7.065592 5.553871 8.012931 
1 1 1   15    7    0 o 88.74045 1.374983  90.18987 1.974684   95.00000 4.000000   85.50000 3.900000   91.07755 1.917734   86.40335   1.970941 4.674194 2.749966 
1 1 1   15    7    1 o 408.1169 5.031380  1912.008 33.24932   1924.900 66.20000   1899.000 66.80000   409.5070 7.058889   406.7268   7.171556 2.780212 10.06276 
1 1 1   15    7    2 o 205.0186 2.768788  481.5000 13.00000   481.5000 13.00000          ?        ?   205.0186 2.768788          ?          ?       ?       ? 
1 1 1   15    7    3 o 269.5137 2.572403  832.1741 11.21559   840.2000 23.10000   824.6000 21.80000   270.7715 3.725192   268.2560   3.548517 2.515594 5.144806 
1 1 1   15    7    4 o 256.3864 2.517189  753.0095 10.43828   766.6000 21.60000   740.3000 20.20000   258.6181 3.646990   254.1547   3.470507 4.463364 5.034377 
1 1 1   15    7    5 o 71.35259 1.558074  57.43333 1.750000   64.90000 4.200000   52.10000 3.000000   75.26377 2.436705   67.44141   1.942380 7.822357 3.116147 
1 1 1   15    7    6 o 155.6556 1.715843  277.5462 4.323699   280.7000 8.800000   274.5000 8.500000   156.5237 2.454947   154.7875   2.397853 1.736206 3.431686 
1 1 1   15    7    7 o 161.3061 1.828020  298.1801 4.774869   294.4000 9.500000   302.0000 9.600000   160.2781 2.588149   162.3340   2.582268 -2.055954 3.656039 
1 1 1   15    7    8 o 81.46284 2.252096  74.03559 2.759322   67.10000 4.400000   85.70000 7.400000   76.51128 2.511117   86.41442   3.739256 -9.903145 4.504192 
1 1 1   15    7    9 o 126.5410 1.995777  184.5585 3.782390   187.6000 6.200000   179.8000 9.700000   127.9335 2.116153   125.1484   3.384434 2.785110 3.991553 
1 1 1   15    7   10 f 17.40439 4.483674  2.523529 1.686765   4.700000 3.700000  0.7000000 3.100000   20.56389 6.775757   14.24489   5.873878 6.319000 8.967348 
1 1 1   15    7   11 o 81.86629 1.659388  76.91250 2.198864   78.60000 4.500000   75.30000 4.300000   82.74157 2.374808   80.99102   2.318309 1.750549 3.318775 
1 1 1   15    7   12 o 11.02021 3.489312 -2.793220 1.454237  0.6000000 2.600000  -7.100000 3.300000   13.01087 5.373585   9.029558   4.452615 3.981312 6.978624 
1 1 1   15    7   13 o 42.94076 2.165165  21.29667 1.498333   18.30000 2.900000   24.50000 3.100000   39.80015 3.181654   46.08137   2.937487 -6.281219 4.330330 
1 1 1   15    7   14 o 28.67968 3.635727  10.31429 1.542857   7.800000 3.600000   12.20000 2.700000   24.99501 6.293169   32.36435   3.642811 -7.369337 7.271454 
1 1 1   15    7   15 o 29.97828 3.709757  11.30441 1.698529   16.40000 3.500000   6.500000 3.300000   37.28610 4.098838   22.67046   6.184556 14.61564 7.419515 
1 1 1   15    7   16 o 20.13367 4.838771  4.898701 1.922078   6.100000 3.700000   3.600000 4.000000   21.81258 6.732521   18.45475   6.951835 3.357834 9.677543 
1 1 1   15    7   17 o 26.15702 3.987762  8.718183 1.527273   8.100000 2.400000   9.800000 4.200000   25.80627 4.060933   26.50777   6.864241 -0.7015057 7.975524 
1 1 1   15    7   18 o 20.51965 3.807307  5.740741 1.342593   7.500000 2.500000   3.700000 2.900000   24.07948 4.702186   16.95982   5.989307 7.119665 7.614614 
1 1 1   15    7   19 o 22.84753 5.165894  8.044827 2.091954   7.200000 3.500000   9.300000 5.200000   22.05430 6.492984   23.64076   8.036604 -1.586462 10.33179 
1 1 1   15    9    0 o 110.3386 2.308368  137.5118 3.710559   132.0000 5.800000   147.3000 10.30000   107.3399 2.359428   113.3373   3.968294 -5.997490 4.616737 
1 1 1   15    9    1 o 122.4224 2.185102  170.7869 3.885119   168.1000 6.100000   175.5000 10.70000   121.1331 2.198907   123.7117   3.776702 -2.578629 4.370203 
1 1 1   15    9    2 o 102.3745 2.208994  118.8623 3.551370   111.3000 6.100000   129.4000 8.500000   98.53799 2.703123   106.2111   3.494531 -7.673080 4.417988 
1 1 1   15    9    3 o 155.9907 1.922926  278.4062 4.817010   271.8000 8.900000   286.2000 10.50000   153.9901 2.523695   157.9913   2.901990 -4.001175 3.845852 
1 1 1   15    9    4 o 52.02344 2.293511  31.03636 1.909091   31.20000 4.200000   30.90000 3.500000   52.14035 3.517345   51.90652   2.944326 0.2338371 4.587022 
1 1 1   15    9    5 o 78.96169 1.782596  71.52747 2.268132   72.00000 4.300000   71.00000 4.800000   79.24453 2.369403   78.67883   2.663932 0.5656967 3.565193 
1 1 1   15    9    6 o 54.95452 2.190580  34.34615 1.917949   31.60000 3.400000   37.90000 4.400000   52.47133 2.829414   57.43771   3.344994 -4.966381 4.381161 
1 1 1   15    9    7 o 77.98460 1.800618  69.65275 2.268132   65.40000 4.300000   74.40000 4.800000   75.47658 2.487689   80.49264   2.603903 -5.016060 3.601237 
1 1 1   15    9    8 o 74.02905 1.731458  62.92651 2.072289   63.60000 4.300000   62.30000 4.000000   74.40414 2.523546   73.65397   2.371393 0.7501678 3.462916 
1 1 1   15    9    9 o 51.33018 2.043752  30.07059 1.676471   27.60000 3.000000   33.20000 3.800000   48.98120 2.674432   53.67916   3.091132 -4.697960 4.087503 
1 1 1   15    9   10 o 126.4966 1.709431  183.9429 3.488571   179.7000 6.600000   188.7000 7.400000   124.9805 2.305905   128.0127   2.524168 -3.032234 3.418863 
1 1 1   15    9   11 o 59.33799 1.977136  40.67105 1.898684   41.80000 3.900000   39.60000 3.700000   60.13295 2.831991   58.54304   2.759727 1.589905 3.954272 
1 1 1   15    9   12 o 24.43001 3.588913  7.281818 1.363636   6.600000 2.500000   8.100000 3.000000   23.20905 4.859336   25.65097   5.282806 -2.441916 7.177826 
1 1 1   15    9   13 o 52.17872 2.914507  32.12857 2.400000   33.90000 5.600000   30.80000 4.200000   53.20350 4.596079   51.15393   3.585172 2.049572 5.829014 
1 1 1   15    9   14 o 21.25702 4.145799  5.744262 1.521312   3.700000 2.900000   8.000000 3.200000   17.55820 6.001480   24.95584   5.721262 -7.397636 8.291598 
1 1 1   15    9   15 o 40.88992 2.638070  20.26957 1.715942   21.80000 3.200000   18.50000 3.700000   42.80016 3.264707   38.97966   4.144798 3.820499 5.276141 
1 1 1   15    9   16 o 44.38968 2.815011  24.07284 2.009876   22.20000 3.700000   26.30000 4.400000   42.65201 3.787930   46.12736   4.165180 -3.475349 5.630021 
1 1 1   15    9   17 o 11.35515 3.867810 -5.050000 2.150000  -8.500000 4.300000  -1.600000 4.300000   9.808778 4.879559   12.90152   6.002477 -3.092743 7.735621 
1 1 1   15   11    0 o 79.62917 2.168939  73.33604 2.769369   79.40000 5.300000   66.70000 5.800000   83.12624 2.784053   76.13210   3.326595 6.994141 4.337878 
1 1 1   15   11    1 o 103.9895 2.078846  124.3607 3.499286   125.1000 6.900000   123.6000 7.100000   104.3107 2.888418   103.6683   2.990558 0.6424179 4.157691 
1 1 1   15   11    2 o 25.33623 4.051254  7.921739 1.715942   3.900000 3.700000   11.40000 3.200000   19.29135 6.769365   31.38111   4.452679 -12.08976 8.102509 
1 1 1   15   11    3 o 37.76211 3.083532  17.05972 1.765278   19.60000 3.100000   13.70000 4.100000   41.23122 3.283032   34.29299   5.220573 6.938232 6.167065 
1 1 1   15   11    4 o 47.62814 2.457807  26.07867 1.818667   25.50000 3.100000   26.90000 4.400000   47.05460 2.876731   48.20168   3.985935 -1.147072 4.915614 
1 1 1   15   11    5 o 17.22449 4.865417  1.987654 1.832099   3.100000 5.300000   1.400000 2.800000   20.03034 7.879640   14.41865   5.709676 5.611682 9.730834 
1 1 1   15   11    6 o 55.37617 2.341835  35.50000 2.100000   35.30000 4.200000   35.70000 4.200000   55.21846 3.321274   55.53387   3.302410 -0.3154144 4.683671 
1 1 1   15   11    7 f 30.81204 4.747234  11.74063 2.390625   17.00000 5.100000   7.100000 4.500000   37.67699 5.910629   23.94709   7.430303 13.72990 9.494469 
1 1 1   15   11    8 o 14.73567 3.936223  1.193103 1.448276   3.800000 2.800000  -1.600000 3.000000   17.98874 5.892764   11.48260   5.220222 6.506139 7.872445 
1 1 1   15   11    9 o 22.94396 4.294076  6.387143 1.727143   10.90000 3.900000   2.800000 3.100000   29.35526 6.003682   16.53266   6.141023 12.82261 8.588152 
1 1 1   15   11   10 o 40.56693 2.815104  19.64658 1.824658   15.80000 3.600000   23.60000 3.700000   36.38837 4.319958   44.74549   3.610706 -8.357121 5.630208 
1 1 1   15   11   11 o 14.40224 4.214800 -0.3583334 1.787500   4.300000 3.900000  -4.300000 3.300000   18.76045 6.903011   10.04403   4.838038 8.716421 8.429601 
1 1 1   15   11   12 o 22.72818 3.511707  6.663462 1.298077   4.500000 2.500000   9.000000 2.700000   18.45540 5.501165   27.00096   4.366408 -8.545557 7.023413 
1 1 1   15   11   13 o 12.63782 3.805242 -0.9114754 1.514754  -4.400000 2.800000   3.200000 3.300000   8.789221 4.285271   16.48641   6.289350 -7.697191 7.610484 
1 1 1   15   11   14 o 33.04723 3.453007  14.12703 1.828378   12.70000 3.300000   15.90000 4.100000   31.43144 4.584473   34.66301   5.164845 -3.231571 6.906013 
1 1 1   15   13    0 o 14.96205 4.391253 0.9169014 1.766197 -0.1000000 3.800000   1.800000 3.300000   14.37276 6.234475   15.55134   6.185768 -1.178585 8.782506 
1 1 1   15   13    1 o 46.18126 2.565509  25.41892 1.783784   27.00000 3.000000   23.10000 4.400000   48.22579 2.716324   44.13672   4.353037 4.089073 5.131018 
1 1 1   15   13    2 o 49.47260 3.049840  29.87447 2.340425   36.10000 4.400000   22.80000 5.000000   55.45584 3.464536   43.48935   5.020267 11.96650 6.099679 
1 1 1   15   13    3 o 28.16801 3.987319  9.800000 1.777778   7.000000 3.200000   13.30000 4.000000   23.33023 5.965812   33.00578   5.291877 -9.675547 7.974639 
1 1 1   15   13    4 o 11.38466 3.864655 -6.290476 2.098809  -10.00000 4.100000  -2.400000 4.300000   9.434726 4.704918   13.33460   6.132370 -3.899877 7.729309 
1 1 1   15   13    5 o 21.84788 4.585552  5.933766 1.916883   10.30000 4.100000   2.100000 3.600000   27.77270 6.552172   15.92306   6.417024 11.84964 9.171104 
1 1 1   15   13    6 o 17.92120 4.727861  3.719481 1.753247   4.000000 2.700000   3.200000 5.000000   17.63586 5.787036   18.20655   7.478028 -0.5706902 9.455723 
1 1 1   15   13    7 o 37.03650 3.138876  17.30548 1.816438   20.10000 3.400000   14.10000 3.900000   40.77173 3.641325   33.30127   5.113798 7.470463 6.277752 
1 1 1   15   13    8 o 18.45162 4.831776  4.400000 1.867949   4.400000 3.100000   4.400000 4.700000   18.13590 6.204948   18.76735   7.408297 -0.6314468 9.663552 
1 1 1   15   13    9 o 30.22923 4.253140  12.64634 2.045122   7.700000 3.900000   18.10000 4.300000   22.93571 6.878751   37.52274   5.003958 -14.58704 8.506281 
1 1 1   15   13   10 o 19.73604 5.148719  6.003448 2.174713   6.300000 4.300000   5.700000 4.400000   20.11283 7.271343   19.35925   7.291421 0.7535782 10.29744 
1 1 1   15   15    0 f 23.67573 5.392352  8.693617 2.348936   9.000000 4.800000   8.400000 4.600000   24.01203 7.703820   23.33942   7.547252 0.6726055 10.78470 
1 1 1   15   15    1 o 17.88008 4.811459  4.051282 1.887179   2.000000 3.200000   7.000000 4.600000   14.56947 5.983089   21.19069   7.536790 -6.621213 9.622918 
1 1 1   15   15    2 o 22.53490 4.994673  7.171429 1.928571   3.600000 3.000000   13.60000 5.400000   16.39901 6.051100   28.67080   7.948032 -12.27179 9.989346 
1 1 1   16    0    0 o 186.8698 2.337511  400.1000 10.00000   400.1000 10.00000   400.1000 10.00000   186.8698 2.337511   186.8698   2.337511 0.000000 0.000000 
1 1 1   16    0    1 o 530.5369 6.207680  3227.500 75.40000   3227.500 75.40000   3227.500 75.40000   530.5369 6.207680   530.5369   6.207680 0.000000 0.000000 
1 1 1   16    0    2 o 360.8244 4.370131  1492.100 36.10000   1492.100 36.10000   1492.100 36.10000   360.8244 4.370131   360.8244   4.370131 0.000000 0.000000 
1 1 1   16    0    3 o 564.3607 6.586364  3651.900 85.10000   3651.900 85.10000   3651.900 85.10000   564.3607 6.586364   564.3607   6.586364 0.000000 0.000000 
1 1 1   16    0    4 o 129.1416 1.826682  191.1000 5.400000   191.1000 5.400000   191.1000 5.400000   129.1416 1.826682   129.1416   1.826682 0.000000 0.000000 
1 1 1   16    0    5 o 234.0325 3.061081  627.6000 16.40000   627.6000 16.40000   627.6000 16.40000   234.0325 3.061081   234.0325   3.061081 0.000000 0.000000 
1 1 1   16    0    6 o 394.6145 4.715372  1784.500 42.60000   1784.500 42.60000   1784.500 42.60000   394.6145 4.715372   394.6145   4.715372 0.000000 0.000000 
1 1 1   16    0    7 o 88.60863 1.627452  90.00000 3.300000   90.00000 3.300000   90.00000 3.300000   88.60863 1.627452   88.60863   1.627452 0.000000 0.000000 
1 1 1   16    0    8 o 296.6883 3.872235  1008.800 26.30000   1008.800 26.30000   1008.800 26.30000   296.6883 3.872235   296.6883   3.872235 0.000000 0.000000 
1 1 1   16    0    9 o 86.90435 1.810616  86.60000 3.600000   86.60000 3.600000   86.60000 3.600000   86.90435 1.810616   86.90435   1.810616 0.000000 0.000000 
1 1 1   16    0   10 o 498.1938 8.226427  2852.200 93.80000   2852.200 93.80000   2852.200 93.80000   498.1938 8.226427   498.1938   8.226427 0.000000 0.000000 
1 1 1   16    0   11 o 184.4254 2.510766  389.8000 10.60000   389.8000 10.60000   389.8000 10.60000   184.4254 2.510766   184.4254   2.510766 0.000000 0.000000 
1 1 1   16    0   12 o 85.57521 1.890044  84.00000 3.700000   84.00000 3.700000   84.00000 3.700000   85.57521 1.890044   85.57521   1.890044 0.000000 0.000000 
1 1 1   16    0   13 o 136.3683 2.499483  213.3000 7.800000   213.3000 7.800000   213.3000 7.800000   136.3683 2.499483   136.3683   2.499483 0.000000 0.000000 
1 1 1   16    0   14 o 168.4429 2.567732  325.5000 9.900000   325.5000 9.900000   325.5000 9.900000   168.4429 2.567732   168.4429   2.567732 0.000000 0.000000 
1 1 1   16    0   15 o 111.5145 2.037694  142.7000 5.200000   142.7000 5.200000   142.7000 5.200000   111.5145 2.037694   111.5145   2.037694 0.000000 0.000000 
1 1 1   16    0   16 o 42.54718 3.979925  21.40000 3.800000   21.40000 3.800000   21.40000 3.800000   42.54718 3.979925   42.54718   3.979925 0.000000 0.000000 
1 1 1   16    0   17 o 8.158141 5.269864  0.000000 2.300000   0.000000 2.300000   0.000000 2.300000   8.158141 5.269864   8.158141   5.269864 0.000000 0.000000 
1 1 1   16    0   18 o 79.80866 2.357308  73.50000 4.300000   73.50000 4.300000   73.50000 4.300000   79.80866 2.357308   79.80866   2.357308 0.000000 0.000000 
1 1 1   16    0   19 o 85.98209 2.186934  85.30000 4.300000   85.30000 4.300000   85.30000 4.300000   85.98209 2.186934   85.98209   2.186934 0.000000 0.000000 
1 1 1   16    0   20 o 10.65943 6.806825 0.8000000 3.700000  0.8000000 3.700000  0.8000000 3.700000   10.65943 6.806825   10.65943   6.806825 0.000000 0.000000 
1 1 1   16    0   21 o 7.426457 4.988280 -0.7000000 2.400000 -0.7000000 2.400000 -0.7000000 2.400000   7.426457 4.988280   7.426457   4.988280 0.000000 0.000000 
1 1 1   16    2    0 o 317.0927 2.780438  1152.384 14.27461   1168.200 28.40000   1136.400 28.70000   319.2835 3.884021   314.9018   3.979664 4.381683 5.560876 
1 1 1   16    2    1 o 212.6360 2.602859  514.9037 8.367898   503.5000 13.70000   532.8000 21.50000   209.6552 2.853348   215.6169   4.354069 -5.961792 5.205719 
1 1 1   16    2    2 o 115.8071 1.488259  153.7288 2.747748   154.9000 5.000000   152.3000 6.100000   116.2994 1.877294   115.3147   2.309855 0.9846954 2.976519 
1 1 1   16    2    3 f 388.1599 3.857812  1739.731 21.47514   1771.400 33.70000   1684.100 59.20000   393.1973 3.742477   383.1226   6.747202 10.07468 7.715625 
1 1 1   16    2    4 o 249.9687 2.561268  719.2915 9.349750   729.2000 14.90000   702.6000 25.10000   252.3213 2.578529   247.6162   4.426235 4.705109 5.122535 
1 1 1   16    2    5 o 167.6762 1.922708  318.3618 4.742647   307.7000 7.500000   336.7000 12.90000   163.9129 1.997964   171.4395   3.285630 -7.526535 3.845416 
1 1 1   16    2    6 o 311.5937 3.075016  1113.352 14.05125   1115.700 22.40000   1109.400 37.70000   312.0885 3.134079   311.0989   5.291545 0.9895325 6.150033 
1 1 1   16    2    7 o 381.7722 3.719165  1670.106 20.80359   1668.100 33.10000   1673.500 56.00000   381.5663 3.787892   381.9781   6.401611 -0.4117737 7.438330 
1 1 1   16    2    8 o 266.2553 2.744331  807.3488 10.45733   794.8000 16.20000   830.2000 29.50000   263.4096 2.685487   269.1010   4.786813 -5.691376 5.488663 
1 1 1   16    2    9 o 251.1747 2.671550  719.3191 9.572315   710.1000 14.80000   736.2000 27.10000   248.9706 2.595693   253.3788   4.670235 -4.408249 5.343100 
1 1 1   16    2   10 o 424.3464 4.216622  2053.643 25.62777   2014.900 39.70000   2124.200 72.30000   419.1271 4.136037   429.5657   7.349340 -10.43860 8.433244 
1 1 1   16    2   11 o 126.4915 1.948637  182.8730 3.388816   181.9000 5.100000   184.8000 10.10000   126.0188 1.767155   126.9642   3.473601 -0.9454117 3.897273 
1 1 1   16    2   12 o 275.6105 2.917839  868.3087 11.78913   857.0000 18.70000   887.6000 31.90000   273.3752 2.986911   277.8458   5.013332 -4.470673 5.835678 
1 1 1   16    2   13 o 129.4849 1.785979  191.7621 3.362759   190.3000 5.300000   194.3000 9.200000   128.8629 1.795923   130.1069   3.087644 -1.244019 3.571958 
1 1 1   16    2   14 o 67.14932 1.753466  51.05676 1.686486   49.30000 2.600000   54.30000 4.800000   65.57344 1.731351   68.72520   3.049755 -3.151764 3.506933 
1 1 1   16    2   15 o 45.07964 2.777577  23.28961 1.688312   22.90000 2.500000   24.10000 5.200000   44.63640 2.445629   45.52287   4.987850 -0.8864746 5.555155 
1 1 1   16    2   16 o 47.76102 1.979828  26.31639 1.514754   26.50000 2.800000   26.10000 3.300000   47.97056 2.548725   47.55149   3.030327 0.4190674 3.959657 
1 1 1   16    2   17 o 70.19945 1.656328  57.25278 1.661111   58.30000 2.600000   55.40000 4.600000   71.23271 1.593799   69.16618   2.904047 2.066528 3.312656 
1 1 1   16    2   18 o 61.88653 2.221941  45.14235 1.969412   46.20000 3.100000   43.30000 5.400000   63.22067 2.141126   60.55239   3.894056 2.668285 4.443883 
1 1 1   16    2   19 o 51.23758 2.464079  30.95875 1.898750   30.30000 3.100000   32.00000 4.900000   50.91015 2.658870   51.56501   4.149356 -0.6548615 4.928158 
1 1 1   16    2   20 o 13.88876 4.439177 -0.3428572 2.003572 -0.5000000 3.300000 -0.1000000 5.100000   12.45596 5.585676   15.32156   6.901115 -2.865597 8.878354 
1 1 1   16    2   21 o 53.55474 2.860951  36.93763 2.292473   44.30000 4.100000   27.60000 5.200000   60.83856 2.942691   46.27092   4.907213 14.56765 5.721903 
1 1 1   16    4    0 o 134.5977 1.399383  207.3689 3.046721   211.5000 6.300000   203.5000 5.900000   135.8946 2.024315   133.3008   1.932676 2.593842 2.798765 
1 1 1   16    4    1 o 352.0546 3.148437  1420.316 17.94499   1397.700 35.30000   1443.700 36.50000   349.2076 4.413984   354.9016   4.490810 -5.693970 6.296875 
1 1 1   16    4    2 o 193.0157 2.011133  426.2390 6.239044   420.0000 11.60000   433.5000 13.50000   191.4931 2.645116   194.5384   3.030178 -3.045334 4.022265 
1 1 1   16    4    3 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   16    4    4 o 359.3120 3.863829  1478.657 21.44560   1487.200 52.20000   1472.700 36.40000   360.1257 6.329306   358.4984   4.433574 1.627319 7.727657 
1 1 1   16    4    5 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   16    4    6 o 202.5680 1.900258  470.4373 6.220080   482.1000 12.10000   458.1000 12.80000   205.1567 2.575369   199.9794   2.794888 5.177307 3.800516 
1 1 1   16    4    7 o 146.9832 1.575772  247.4680 3.749333   248.8000 7.400000   246.1000 7.600000   147.3848 2.192394   146.5816   2.263986 0.8031616 3.151544 
1 1 1   16    4    8 o 156.0008 1.981794  274.5280 4.310881   265.3000 6.500000   292.7000 12.80000   152.1938 1.864902   159.8078   3.497452 -7.613937 3.963588 
1 1 1   16    4    9 o 128.4857 1.862920  187.5446 3.277703   184.3000 4.900000   194.1000 9.900000   126.8483 1.686751   130.1230   3.322161 -3.274712 3.725840 
1 1 1   16    4   10 f 238.3327 2.717628  647.7532 9.349753   637.9000 14.60000   665.3000 26.00000   235.9284 2.702168   240.7370   4.715961 -4.808609 5.435256 
1 1 1   16    4   11 o 52.70197 2.146693  30.56667 1.600000   27.70000 2.400000   36.30000 4.800000   49.16541 2.131529   56.23852   3.726894 -7.073112 4.293386 
1 1 1   16    4   12 o 68.53142 1.917941  52.79036 1.886747   50.10000 2.900000   57.80000 5.400000   66.11513 1.915300   70.94772   3.323495 -4.832588 3.835883 
1 1 1   16    4   13 o 39.27315 2.921467  19.74688 1.473437   23.70000 2.300000   12.70000 4.100000   45.44753 2.209822   33.09877   5.408934 12.34876 5.842934 
1 1 1   16    4   14 o 48.61369 2.680538  27.57342 1.744304   28.10000 2.600000   26.50000 5.300000   49.45903 2.295448   47.76834   4.844796 1.690693 5.361075 
1 1 1   16    4   15 o 41.71621 2.756285  19.34110 1.610959   17.50000 2.400000   23.10000 4.900000   38.96933 2.689231   44.46309   4.812116 -5.493763 5.512569 
1 1 1   16    4   16 o 40.41338 2.560383  19.41094 1.523438   20.70000 2.500000   17.40000 3.900000   42.33424 2.578624   38.49252   4.424131 3.841717 5.120766 
1 1 1   16    4   17 o 13.47563 4.129787 -0.2147059 1.676471  0.8000000 3.000000  -1.500000 3.800000   13.79683 5.741140   13.15442   5.938004 0.6424055 8.259575 
1 1 1   16    4   18 o 21.82404 3.963134  5.900000 1.389474   4.300000 2.400000   8.100000 3.300000   18.50583 5.356372   25.14226   5.842516 -6.636429 7.926268 
1 1 1   16    4   19 o 16.00080 4.623154  1.800000 1.666667   0.000000 2.500000   5.400000 5.000000   11.55482 5.034293   20.44679   7.755650 -8.891972 9.246307 
1 1 1   16    4   20 o 24.48943 3.872280  7.940000 1.473333   6.900000 2.600000   9.300000 3.400000   22.84834 5.098294   26.13051   5.829718 -3.282169 7.744560 
1 1 1   16    6    0 o 262.1238 2.368703  787.3403 10.04776   774.4000 20.40000   799.9000 19.80000   259.9982 3.426096   264.2494   3.271831 -4.251251 4.737406 
1 1 1   16    6    1 o 206.8025 1.978345  489.7955 6.624151   503.6000 13.40000   476.3000 13.10000   209.6840 2.790482   203.9211   2.805104 5.762939 3.956690 
1 1 1   16    6    2 o 129.4526 1.585710  191.4053 3.315789   210.3000 7.000000   174.4000 6.300000   135.5059 2.255691   123.3993   2.229295 12.10654 3.171419 
1 1 1   16    6    3 o 92.35753 1.488172  97.71685 2.224719   99.20000 4.400000   96.20000 4.500000   93.06694 2.064415   91.64812   2.144019 1.418823 2.976344 
1 1 1   16    6    4 o 106.1212 1.483509  128.7980 2.546078   121.4000 4.900000   136.8000 5.300000   102.9539 2.078227   109.2885   2.117586 -6.334618 2.967018 
1 1 1   16    6    5 o 177.6914 3.833523  0.000000 0.000000          ?        ?   361.9000 15.60000          ?        ?   177.6914   3.833523       ?       ? 
1 1 1   16    6    6 o 79.64929 1.539356  73.13077 1.903846   75.50000 3.300000   69.90000 4.500000   81.18922 1.774824   78.10936   2.515644 3.079865 3.078711 
1 1 1   16    6    7 o 114.1716 2.109749  148.8824 3.647059   147.0000 6.000000   151.8000 9.300000   113.2741 2.312918   115.0690   3.529104 -1.794853 4.219498 
1 1 1   16    6    8 o 142.3409 1.811355  232.2060 4.174850   233.2000 8.300000   231.2000 8.400000   142.6483 2.540686   142.0333   2.582431 0.6150055 3.622711 
1 1 1   16    6    9 o 99.40543 1.630722  113.2457 2.624762   113.7000 5.300000   112.8000 5.200000   99.60225 2.323520   99.20860   2.288726 0.3936539 3.261443 
1 1 1   16    6   10 o 76.83084 1.949437  67.53712 2.412371   64.80000 4.500000   70.70000 5.200000   75.16448 2.614204   78.49721   2.892603 -3.332726 3.898874 
1 1 1   16    6   11 o 98.61601 1.613471  111.6311 2.574757   114.8000 5.100000   108.4000 5.200000   100.0348 2.226172   97.19723   2.336088 2.837570 3.226941 
1 1 1   16    6   12 o 33.16733 2.594890  12.29821 1.355357   9.300000 2.300000   16.60000 3.300000   28.40472 3.535713   37.92994   3.799020 -9.525217 5.189780 
1 1 1   16    6   13 o 26.92850 3.755354  8.682813 1.598437   7.600000 3.300000   9.700000 3.100000   24.97539 5.868926   28.88161   4.686839 -3.906225 7.510709 
1 1 1   16    6   14 o 50.50619 2.144140  29.34000 1.727143   28.10000 3.100000   30.90000 3.900000   49.34954 2.742952   51.66283   3.296295 -2.313290 4.288280 
1 1 1   16    6   15 o 38.94730 2.384567  17.76441 1.440678   18.40000 2.500000   16.90000 3.400000   39.87863 2.737408   38.01596   3.905284 1.862667 4.769135 
1 1 1   16    6   16 o 39.47469 3.087435  19.10800 1.874667   26.10000 3.800000   12.30000 3.700000   47.08680 3.523905   31.86259   5.070612 15.22421 6.174869 
1 1 1   16    6   17 o 22.51910 5.083029  6.549474 2.330526   2.400000 5.400000   9.700000 4.100000   18.21453 7.649920   26.82367   6.695331 -8.609146 10.16606 
1 1 1   16    6   18 o 22.67202 4.402351  7.163750 1.638750   8.400000 2.300000   4.100000 5.700000   26.23705 3.827830   19.10699   7.929093 7.130060 8.804703 
1 1 1   16    6   19 o 17.35904 4.214525  3.770313 1.560938   5.500000 2.700000   1.400000 3.700000   20.02095 5.645061   14.69713   6.259567 5.323814 8.429050 
1 1 1   16    8    0 o 201.1907 2.026714  463.8841 6.596591   467.5000 12.90000   460.1000 13.50000   201.9966 2.788594   200.3847   2.941771 1.611908 4.053427 
1 1 1   16    8    1 f 221.9966 2.241901  565.0941 8.038820   571.4000 15.50000   558.3000 16.70000   223.2925 3.031079   220.7007   3.304094 2.591751 4.483801 
1 1 1   16    8    2 o 189.9296 1.983365  413.3443 6.098361   416.8000 12.40000   410.0000 12.00000   190.7088 2.839165   189.1504   2.770216 1.558365 3.966731 
1 1 1   16    8    3 o 125.3941 1.653192  180.4000 3.347015   186.9000 6.500000   173.5000 6.900000   127.7292 2.222097   123.0591   2.448358 4.670029 3.306384 
1 1 1   16    8    4 o 94.71880 1.651495  102.7198 2.504951   103.7000 5.500000   101.9000 4.600000   95.12826 2.524602   94.30934   2.129819 0.8189163 3.302990 
1 1 1   16    8    5 o 49.55718 2.667408  28.82169 2.050602   32.70000 3.700000   24.00000 4.600000   53.40118 3.025455   45.71319   4.393959 7.687984 5.334815 
1 1 1   16    8    6 o 97.33322 1.713388  108.6056 2.699074   108.3000 5.500000   108.9000 5.300000   97.19666 2.470877   97.46979   2.374355 -0.2731323 3.426776 
1 1 1   16    8    7 o 78.95409 1.795840  71.63297 2.241758   72.60000 4.000000   70.40000 5.100000   79.57761 2.194870   78.33057   2.843012 1.247040 3.591681 
1 1 1   16    8    8 o 43.71460 2.034142  22.11579 1.421053   24.20000 2.700000   19.80000 3.000000   45.91869 2.567521   41.51050   3.155753 4.408192 4.068285 
1 1 1   16    8    9 o 54.23200 2.228783  33.91410 1.944872   35.10000 3.700000   32.60000 4.100000   55.25167 2.924126   53.21233   3.364429 2.039345 4.457565 
1 1 1   16    8   10 o 140.9743 2.092201  228.9572 4.628572   228.1000 10.80000   229.6000 8.100000   140.6309 3.353380   141.3177   2.502811 -0.6868286 4.184402 
1 1 1   16    8   11 o 54.78075 2.621108  34.39561 2.129670   36.40000 5.700000   33.20000 3.400000   55.89584 4.452819   53.66565   2.766446 2.230190 5.242215 
1 1 1   16    8   12 o 19.14278 4.306406  3.510145 1.715942 -0.2000000 3.200000   7.800000 3.700000   13.26302 5.737112   25.02255   6.423868 -11.75953 8.612812 
1 1 1   16    8   13 o 57.03001 2.045231  37.91067 1.874667   42.40000 3.700000   33.30000 3.800000   60.52331 2.669431   53.53670   3.099358 6.986614 4.090462 
1 1 1   16    8   14 o 33.76296 3.270926  13.71972 1.757746   13.90000 3.200000   13.50000 3.900000   34.18451 4.087524   33.34142   5.107640 0.8430901 6.541853 
1 1 1   16    8   15 o 51.41702 2.177779  31.04583 1.765278   30.40000 3.100000   31.90000 4.100000   50.98274 2.655084   51.85130   3.452740 -0.8685570 4.355558 
1 1 1   16    8   16 o 16.28666 4.393782  2.140580 1.663768 -0.7000000 2.800000   6.300000 4.100000   11.40580 5.127647   21.16751   7.136422 -9.761718 8.787564 
1 1 1   16    8   17 o 27.90488 4.222627  10.67973 1.844595   11.20000 3.500000   10.10000 3.900000   29.01124 5.468521   26.79852   6.435650 2.212711 8.445254 
1 1 1   16   10    0 o 175.3966 2.165522  352.8760 6.143496   358.4000 12.70000   347.7000 11.90000   176.7162 3.138103   174.0770   2.985006 2.639130 4.331045 
1 1 1   16   10    1 o 86.96716 1.721932  86.72990 2.424742   84.80000 4.800000   88.70000 4.900000   85.98947 2.437450   87.94485   2.432906 -1.955376 3.443863 
1 1 1   16   10    2 o 169.2215 2.119832  328.9810 5.789224   333.0000 11.10000   324.6000 12.10000   170.3249 2.845670   168.1181   3.142757 2.206863 4.239665 
1 1 1   16   10    3 o 42.74671 2.854187  21.12308 1.944872   26.80000 4.100000   16.00000 3.700000   48.24924 3.710506   37.24418   4.337934 11.00505 5.708374 
1 1 1   16   10    4 o 82.64220 1.885711  77.88119 2.495049   85.20000 5.600000   72.00000 4.500000   86.10007 2.840039   79.18433   2.481493 6.915749 3.771422 
1 1 1   16   10    5 o 31.24109 3.177113  11.30000 1.585938   11.30000 3.500000   11.30000 2.900000   31.20885 4.896998   31.27332   4.049149 -0.6447220E-01 6.354227 
1 1 1   16   10    6 o 72.34492 1.734014  60.30618 2.024691   55.70000 4.100000   64.80000 4.000000   69.59517 2.572435   75.09467   2.325898 -5.499496 3.468029 
1 1 1   16   10    7 o 21.29981 3.618625  5.409804 1.262745   3.200000 2.300000   8.100000 2.800000   16.66974 5.331103   25.92988   4.894600 -9.260139 7.237249 
1 1 1   16   10    8 o 32.37214 3.275789  12.34412 1.698529   10.80000 3.500000   13.80000 3.300000   30.32883 5.039090   34.41545   4.186974 -4.086617 6.551578 
1 1 1   16   10    9 o 15.73539 4.309567  1.629231 1.606154   3.900000 3.600000 -0.2000000 2.900000   18.86826 6.672060   12.60251   5.456474 6.265750 8.619135 
1 1 1   16   10   10 o 15.18347 3.910656  1.992453 1.320755  0.2000000 2.500000   4.000000 2.800000   12.10395 5.149990   18.26300   5.886470 -6.159056 7.821312 
1 1 1   16   10   11 o 50.48935 2.352881  29.78182 1.909091   27.60000 3.500000   32.40000 4.200000   48.53325 3.148969   52.44545   3.496884 -3.912201 4.705762 
1 1 1   16   10   12 o 17.12509 4.030612  2.500000 1.600000   6.700000 3.200000  -1.700000 3.200000   22.63697 6.054708   11.61321   5.322017 11.02376 8.061225 
1 1 1   16   10   13 o 19.69764 4.695044  5.130986 1.771831   5.600000 3.700000   4.700000 3.400000   20.39913 6.778375   18.99614   6.498260 1.402985 9.390088 
1 1 1   16   10   14 o 26.25035 4.109187  9.357353 1.663235   9.300000 3.900000   9.400000 2.900000   25.58078 6.609838   26.91992   4.883822 -1.339134 8.218374 
1 1 1   16   10   15 o 15.12603 4.118827  2.465517 1.422414   1.000000 2.500000   4.400000 3.300000   12.43343 5.212643   17.81862   6.378661 -5.385193 8.237655 
1 1 1   16   12    0 o 16.95022 4.491364  1.355844 1.922078  -2.800000 4.000000   5.200000 3.700000   12.84549 5.910080   21.05495   6.764641 -8.209467 8.982728 
1 1 1   16   12    1 o 21.37399 3.394594  5.067857 1.392857  0.1000000 2.600000   10.80000 3.000000   12.32773 5.248753   30.42026   4.306238 -18.09253 6.789189 
1 1 1   16   12    2 o 47.91235 2.448949  26.60000 1.894737   23.90000 3.600000   29.60000 4.000000   45.35216 3.466125   50.47253   3.460546 -5.120369 4.897897 
1 1 1   16   12    3 o 49.86382 2.198388  28.83521 1.774648   27.80000 3.500000   29.90000 3.600000   48.95346 3.121939   50.77419   3.095987 -1.820736 4.396776 
1 1 1   16   12    4 o 16.42635 4.406967  2.267164 1.671642   3.700000 3.200000  0.7000000 3.500000   18.15883 6.299674   14.69387   6.164376 3.464965 8.813933 
1 1 1   16   12    5 o 22.47497 4.556473  6.357143 1.714286   6.100000 3.000000   6.700000 4.000000   21.99446 5.853017   22.95548   6.984840 -0.9610214 9.112947 
1 1 1   16   12    6 o 28.49175 4.019456  10.19861 1.765278   9.800000 4.100000   10.50000 3.100000   27.41052 6.608534   29.57298   4.577268 -2.162464 8.038912 
1 1 1   16   12    7 f 22.00900 4.236250  6.214063 1.523438   6.800000 2.500000   5.300000 3.900000   23.36842 4.831039   20.64957   6.960195 2.718855 8.472500 
1 1 1   16   12    8 o 26.76639 3.206576  8.922222 1.348148   9.500000 2.600000   8.300000 2.800000   28.02208 4.051471   25.51070   4.971327 2.511377 6.413151 
1 1 1   16   12    9 o 19.70551 5.007741  5.022892 2.038554   5.500000 3.600000   4.400000 4.700000   20.21071 6.684731   19.20032   7.458167 1.010389 10.01548 
1 1 1   16   12   10 o 20.35278 5.025516  5.516470 2.101177   2.700000 3.800000   9.000000 4.700000   16.28200 6.581899   24.42356   7.596173 -8.141567 10.05103 
1 1 1   16   12   11 o 16.69241 4.656395  2.913158 1.878947   5.400000 4.200000  0.9000000 3.400000   19.57580 7.169542   13.80901   5.943545 5.766787 9.312790 
1 1 1   16   14    0 o 15.11216 4.332056 -2.169879 2.067470   6.100000 4.400000  -9.500000 3.900000   21.15730 7.384351   9.067022   4.531909 12.09028 8.664112 
1 1 1   16   14    1 o 13.17291 4.136492 -0.8375001 1.787500   1.600000 3.900000  -2.900000 3.300000   15.52366 6.509517   10.82217   5.105727 4.701490 8.272984 
1 1 1   16   14    2 o 24.10649 4.102376  8.073529 1.676471   10.50000 3.000000   5.000000 3.800000   28.99296 4.518230   19.22002   6.848617 9.772942 8.204752 
1 1 1   16   14    3 o 20.18240 4.609851  4.872727 1.870130  0.8000000 3.200000   10.60000 4.500000   13.49814 5.786838   26.86665   7.177424 -13.36851 9.219702 
1 1 1   16   14    4 o 23.49689 5.063281  8.075862 2.174713   5.800000 4.400000   10.30000 4.300000   20.30701 7.353279   26.68678   6.962509 -6.379774 10.12656 
1 1 1   16   14    5 o 24.82479 4.333407  8.847368 1.878947   5.200000 4.200000   11.80000 3.400000   19.31183 7.153014   30.33775   4.893676 -11.02592 8.666815 
1 1 1   16   14    6 o 14.49315 4.364592  1.020513 1.917949   3.200000 3.400000  -1.800000 4.400000   16.08745 6.316696   12.89885   6.024783 3.188601 8.729184 
1 1 1   17    1    0 o 234.1007 2.527373  626.5019 9.144179   619.9000 15.50000   636.0000 22.30000   232.6247 2.909481   235.5766   4.133447 -2.951920 5.054747 
1 1 1   17    1    1 o 188.5106 1.769016  406.8736 5.395833   400.7000 10.50000   413.4000 11.10000   187.0411 2.451274   189.9800   2.551260 -2.938889 3.538033 
1 1 1   17    1    2 o 412.8359 3.417938  1952.932 22.83906   1981.800 46.70000   1925.300 44.70000   415.8152 4.904065   409.8565   4.762285 5.958679 6.835877 
1 1 1   17    1    3 o 444.1545 3.621856  2261.927 26.04914   2292.200 52.40000   2232.000 51.80000   447.1102 5.117484   441.1988   5.126667 5.911346 7.243711 
1 1 1   17    1    4 o 472.2546 3.948898  2556.460 30.19594   2599.200 61.10000   2514.700 59.70000   476.1547 5.603158   468.3545   5.565950 7.800201 7.897796 
1 1 1   17    1    5 o 459.8671 3.867497  2423.974 28.79861   2420.500 58.00000   2427.400 57.20000   459.5364 5.511221   460.1979   5.427392 -0.6614990 7.734994 
1 1 1   17    1    6 o 143.6829 1.526318  236.4986 3.549296   233.0000 7.200000   239.9000 7.000000   142.6341 2.204189   144.7317   2.111903 -2.097641 3.052636 
1 1 1   17    1    7 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   17    1    8 o 325.1837 2.796774  1212.001 14.72496   1241.000 29.50000   1183.100 29.40000   329.0706 3.914467   321.2968   3.995588 7.773834 5.593548 
1 1 1   17    1    9 o 174.2803 1.789267  347.8594 5.048020   340.9000 9.900000   355.1000 10.30000   172.5031 2.505982   176.0576   2.554596 -3.554489 3.578534 
1 1 1   17    1   10 o 184.0967 1.856311  388.3118 5.505882   387.7000 10.40000   389.0000 11.70000   183.9500 2.468727   184.2435   2.772896 -0.2934113 3.712622 
1 1 1   17    1   11 o 192.6134 1.907716  425.1160 5.948319   442.3000 12.10000   408.5000 11.70000   196.4415 2.689626   188.7853   2.706184 7.656174 3.815432 
1 1 1   17    1   12 o 70.70552 1.556177  57.37042 1.766197   58.30000 3.300000   56.30000 3.800000   71.32747 2.020211   70.08356   2.367593 1.243904 3.112355 
1 1 1   17    1   13 o 160.8828 1.765608  296.7266 4.595109   290.1000 8.900000   303.8000 9.500000   159.0330 2.443669   162.7326   2.549111 -3.699600 3.531215 
1 1 1   17    1   14 o 139.7821 1.623536  224.2388 3.673469   221.3000 7.200000   227.3000 7.500000   138.8520 2.264227   140.7122   2.327391 -1.860153 3.247072 
1 1 1   17    1   15 o 90.50826 1.653732  93.76316 2.258947   92.40000 3.700000   95.90000 5.800000   89.73357 1.800472   91.28293   2.774458 -1.549355 3.307464 
1 1 1   17    1   16 o 92.03983 1.617139  97.37500 2.373958   98.70000 5.300000   96.30000 4.300000   92.56077 2.500280   91.51888   2.051622 1.041885 3.234278 
1 1 1   17    1   17 o 32.21017 2.683327  12.43889 1.342593   9.700000 2.900000   14.80000 2.500000   28.70742 4.411066   35.71291   3.056712 -7.005489 5.366655 
1 1 1   17    1   18 o 12.95413 4.217880 -1.406579 1.677632 -0.4000000 5.100000  -1.900000 2.500000   15.98536 7.069164   9.922897   4.603148 6.062462 8.435760 
1 1 1   17    1   19 o 36.22861 3.685180  17.29610 1.831169   14.00000 4.700000   19.40000 3.000000   32.07417 6.618127   40.38306   3.243857 -8.308895 7.370361 
1 1 1   17    1   20 o 12.86520 4.010940 -0.1000000 1.650000  -1.200000 3.300000   1.000000 3.300000   11.87337 5.427636   13.85704   5.906888 -1.983668 8.021880 
1 1 1   17    1   21 o 44.70097 2.450779  24.17747 1.732394   27.70000 4.100000   21.60000 3.000000   47.17803 3.794755   42.22390   3.102434 4.954128 4.901557 
1 1 1   17    3    0 o 411.9407 3.534192  1945.126 23.57370   1948.600 46.80000   1941.600 47.50000   412.3148 4.956289   411.5666   5.039567 0.7482300 7.068383 
1 1 1   17    3    1 o 234.2927 2.168374  628.7556 8.218845   625.4000 16.00000   632.3000 16.90000   233.6526 2.990123   234.9328   3.141107 -1.280197 4.336748 
1 1 1   17    3    2 o 194.8344 1.766752  434.4511 5.569507   449.2000 11.50000   420.6000 10.80000   198.0378 2.535651   191.6311   2.460919 6.406631 3.533504 
1 1 1   17    3    3 o 53.58513 1.153319  32.90000 1.000000   34.40000 2.000000   31.40000 2.000000   54.80745 1.593419   52.36280   1.667811 2.444653 2.306638 
1 1 1   17    3    4 o 358.5906 3.437215  1458.295 17.79948   1418.800 27.70000   1529.300 49.80000   351.9357 3.436815   365.2455   5.953662 -13.30978 6.874430 
1 1 1   17    3    5 o 526.8256 4.912972  3176.101 37.52560   3155.500 59.00000   3212.100 103.1000   524.7183 4.909820   528.9329   8.511336 -4.214661 9.825944 
1 1 1   17    3    6 o 306.4620 3.053269  1073.633 13.55785   1066.400 21.30000   1086.300 37.30000   305.1091 3.048345   307.8149   5.291258 -2.705750 6.106539 
1 1 1   17    3    7 o 272.6287 3.052312  837.4957 12.44218   790.8000 19.90000   915.4000 33.20000   262.7176 3.307529   282.5399   5.130953 -19.82236 6.104623 
1 1 1   17    3    8 o 554.6626 9.013974  0.000000 0.000000          ?        ?   3543.100 114.5000          ?        ?   554.6626   9.013974       ?       ? 
1 1 1   17    3    9 o 181.1736 2.083452  377.3544 5.582278   381.0000 9.000000   371.4000 14.70000   182.3665 2.154950   179.9807   3.566409 2.385849 4.166903 
1 1 1   17    3   10 o 129.0345 1.872099  190.1595 3.624837   188.0000 5.900000   193.6000 9.400000   128.1073 2.011027   129.9618   3.158288 -1.854538 3.744197 
1 1 1   17    3   11 o 153.1686 2.119480  265.7827 4.586207   258.3000 7.000000   280.0000 13.30000   150.1409 2.035816   156.1964   3.718095 -6.055405 4.238960 
1 1 1   17    3   12 o 188.8152 2.508625  407.3929 6.703729   402.4000 10.30000   416.7000 19.20000   187.3273 2.400909   190.3031   4.405500 -2.975708 5.017250 
1 1 1   17    3   13 o 102.1607 1.845633  119.8051 2.663248   119.7000 4.100000   120.0000 7.600000   102.1768 1.752150   102.1447   3.248909 0.3214264E-01 3.691265 
1 1 1   17    3   14 o 72.23415 1.650952  61.00933 1.834667   66.30000 3.200000   53.90000 4.300000   76.01494 1.838191   68.45337   2.742921 7.561569 3.301903 
1 1 1   17    3   15 o 85.64111 1.861729  84.81200 2.356000   85.80000 3.800000   83.20000 6.200000   86.42181 1.919994   84.86042   3.190261 1.561386 3.723458 
1 1 1   17    3   16 o 71.55286 1.608790  59.25676 1.837838   61.60000 3.400000   56.50000 4.000000   73.14791 2.029629   69.95780   2.496684 3.190109 3.217581 
1 1 1   17    3   17 o 30.14407 3.609211  10.91818 1.498485   10.50000 2.300000   11.70000 4.300000   29.96267 3.351868   30.32546   6.393012 -0.3627911 7.218422 
1 1 1   17    3   18 o 19.69039 3.742810  4.900000 1.250000   6.300000 2.500000   3.500000 2.500000   22.38202 5.003050   16.99875   5.568123 5.383272 7.485620 
1 1 1   17    3   19 o 19.42109 4.547058  4.308000 1.858667   8.900000 4.100000  0.5000000 3.400000   25.15734 6.906256   13.68483   5.916634 11.47251 9.094115 
1 1 1   17    3   20 f 12.74594 4.157421 -1.480488 1.902439 -0.2000000 3.000000  -3.700000 5.200000   12.16215 5.397957   13.32972   6.324450 -1.167569 8.314842 
1 1 1   17    5    0 o 100.5894 1.198235  115.6231 1.938461   119.5000 4.200000   112.3000 3.600000   102.1513 1.795333   99.02740   1.587402 3.123932 2.396469 
1 1 1   17    5    1 f 83.49545 1.165818  79.88412 1.574603   77.70000 3.200000   82.00000 3.100000   82.37093 1.696351   84.61996   1.599663 -2.249023 2.331637 
1 1 1   17    5    2 o 72.50337 1.746544  60.20000 2.900000   60.20000 2.900000          ?        ?   72.50337 1.746544          ?          ?       ?       ? 
1 1 1   17    5    3 o 678.3611 11.11658  0.000000 0.000000          ?        ?   5295.300 172.7000          ?        ?   678.3611   11.11658       ?       ? 
1 1 1   17    5    4 o 238.3628 2.221519  650.8948 8.574927   649.1000 17.10000   652.7000 17.20000   238.0334 3.136880   238.6922   3.146516 -0.6588287 4.443038 
1 1 1   17    5    5 o 229.9232 2.994614  605.8578 11.14798   612.8000 22.60000   599.1000 22.00000   231.2211 4.267964   228.6253   4.201826 2.595749 5.989229 
1 1 1   17    5    6 o 180.0141 1.822283  371.8472 5.295755   387.2000 10.30000   355.6000 10.90000   183.8491 2.446332   176.1792   2.701541 7.669861 3.644567 
1 1 1   17    5    7 o 176.5121 1.811014  357.0551 5.173913   360.8000 10.20000   353.2000 10.50000   177.4538 2.509889   175.5705   2.611425 1.883347 3.622028 
1 1 1   17    5    8 o 331.9826 3.046044  1264.174 16.37466   1259.000 32.90000   1269.300 32.60000   331.3026 4.336215   332.6625   4.279109 -1.359924 6.092088 
1 1 1   17    5    9 f 46.40559 2.262470  24.60299 1.611940   24.20000 2.700000   25.20000 4.000000   45.94879 2.565839   46.86238   3.727137 -0.9135933 4.524940 
1 1 1   17    5   10 o 72.16334 2.420377  0.000000 0.000000          ?        ?   59.70000 4.000000          ?        ?   72.16334   2.420377       ?       ? 
1 1 1   17    5   11 o 89.08388 2.048262  91.51786 2.510714   92.40000 3.800000   89.80000 7.400000   89.78469 1.848081   88.38306   3.655968 1.401634 4.096524 
1 1 1   17    5   12 o 59.00499 2.500098  40.36667 2.000000   40.90000 3.000000   39.30000 6.000000   59.69827 2.194316   58.31172   4.492986 1.386551 5.000195 
1 1 1   17    5   13 o 38.95285 2.459136  18.63158 1.389474   22.80000 2.400000   12.90000 3.300000   44.54245 2.352756   33.36325   4.319020 11.17920 4.918272 
1 1 1   17    5   14 o 58.09723 2.236725  38.88572 2.080952   40.20000 4.600000   37.80000 3.800000   58.95057 3.407293   57.24390   2.898639 1.706673 4.473450 
1 1 1   17    5   15 f 32.72075 4.002388  12.62317 1.928049   14.80000 5.100000   11.30000 3.100000   34.42149 6.710749   31.02001   4.363746 3.401484 8.004775 
1 1 1   17    5   16 o 58.69395 2.312996  41.63086 1.832099   44.50000 2.800000   36.20000 5.300000   62.10403 1.968693   55.28386   4.186173 6.820175 4.625992 
1 1 1   17    5   17 f 12.00992 3.765937 -1.426471 1.488235   1.000000 2.200000  -6.500000 4.600000   12.40388 5.010220   11.61596   5.623773 0.7879210 7.531874 
1 1 1   17    5   18 o 20.99957 4.697782  5.811111 1.731945   4.200000 2.900000   8.200000 4.300000   18.00083 6.001936   23.99832   7.228650 -5.997490 9.395564 
1 1 1   17    5   19 o 15.57310 4.304418  2.200000 1.600000   3.500000 2.400000 -0.4000000 4.800000   16.42655 5.459259   14.71966   6.656467 1.706882 8.608836 
1 1 1   17    7    0 o 317.7522 2.978379  1157.247 15.32398   1156.900 30.40000   1157.600 30.90000   317.7066 4.178178   317.7978   4.245680 -0.9118652E-01 5.956758 
1 1 1   17    7    1 o 135.9717 1.950058  210.6588 4.117647   205.1000 7.000000   218.6000 10.00000   133.8143 2.284206   138.1291   3.161220 -4.314789 3.900116 
1 1 1   17    7    2 o 161.6997 1.815331  299.3316 4.736842   295.4000 9.000000   303.7000 10.00000   160.5830 2.447275   162.8165   2.681892 -2.233551 3.630661 
1 1 1   17    7    3 o 234.5924 2.436359  630.8422 9.240271   632.1000 17.90000   629.5000 19.10000   234.8420 3.328258   234.3429   3.558945 0.4990997 4.872719 
1 1 1   17    7    4 o 270.6808 2.515222  840.0258 11.02449   836.5000 21.90000   843.6000 22.20000   270.1105 3.540318   271.2512   3.573725 -1.140625 5.030444 
1 1 1   17    7    5 o 242.1271 2.291768  671.8151 8.949861   669.4000 17.00000   674.5000 18.90000   241.6795 3.071488   242.5746   3.402171 -0.8951111 4.583536 
1 1 1   17    7    6 o 191.2203 2.831570  0.000000 0.000000          ?        ?   419.2000 12.40000          ?        ?   191.2203   2.831570       ?       ? 
1 1 1   17    7    7 o 70.37163 1.807591  56.41951 2.006098   54.20000 3.500000   59.40000 4.700000   68.76990 2.222334   71.97335   2.851450 -3.203453 3.615182 
1 1 1   17    7    8 o 143.4302 2.117595  237.5361 4.775773   225.4000 10.90000   247.0000 8.500000   140.1046 3.397141   146.7558   2.529084 -6.651199 4.235190 
1 1 1   17    7    9 o 90.33533 2.016232  93.54916 2.942373   97.70000 6.200000   89.80000 5.600000   92.23160 2.935294   88.43905   2.764927 3.792549 4.032465 
1 1 1   17    7   10 o 131.6139 1.822567  198.9787 3.855484   198.7000 7.200000   199.3000 8.300000   131.5448 2.390003   131.6831   2.752250 -0.1382599 3.645133 
1 1 1   17    7   11 o 33.51325 2.637377  13.01930 1.424561   11.90000 2.900000   14.10000 2.800000   32.07473 3.947977   34.95177   3.498071 -2.877033 5.274754 
1 1 1   17    7   12 o 62.19192 1.885222  44.24474 1.878947   40.80000 3.400000   48.50000 4.200000   59.52967 2.493935   64.85417   2.827816 -5.324501 3.770445 
1 1 1   17    7   13 o 54.14585 2.033234  34.04225 1.774648   37.00000 3.500000   31.00000 3.600000   56.57340 2.701441   51.71830   3.039470 4.855099 4.066468 
1 1 1   17    7   14 o 55.92960 1.848780  36.13582 1.665672   34.10000 3.100000   38.50000 3.600000   54.26405 2.494533   57.59514   2.729332 -3.331085 3.697559 
1 1 1   17    7   15 o 12.11093 3.732329 -0.2000000 1.374545 -0.2000000 2.700000 -0.2000000 2.800000   12.00407 5.230859   12.21780   5.325339 -0.2137280 7.464658 
1 1 1   17    7   16 o 24.46561 4.090385  7.921875 1.543750   7.800000 2.600000   8.100000 3.800000   24.73337 4.762986   24.19785   6.651239 0.5355186 8.180771 
1 1 1   17    7   17 o 25.25246 3.843650  8.645902 1.432787   9.400000 2.300000   7.400000 3.800000   27.82595 3.609254   22.67898   6.787331 5.146975 7.687300 
1 1 1   17    7   18 o 26.95969 4.372417  11.02625 1.898750   13.70000 3.100000   6.800000 4.900000   33.05354 4.095279   20.86585   7.726630 12.18769 8.744834 
1 1 1   17    9    0 o 38.41163 4.326880  18.25474 2.153684   14.60000 6.200000   20.20000 3.300000   34.85933 7.943326   41.96393   3.433820 -7.104603 8.653759 
1 1 1   17    9    1 o 56.55736 2.315165  36.22235 2.089412   41.70000 4.800000   32.00000 3.700000   60.28949 3.476477   52.82523   3.058440 7.464252 4.630329 
1 1 1   17    9    2 o 53.56085 2.067044  32.96338 1.746479   33.40000 3.100000   32.40000 4.000000   53.97840 2.507733   53.14331   3.286632 0.8350945 4.134088 
1 1 1   17    9    3 o 59.89549 2.041712  41.23544 1.974684   38.40000 4.000000   44.00000 3.900000   57.85285 3.019082   61.93813   2.749453 -4.085274 4.083424 
1 1 1   17    9    4 o 100.2047 1.864494  115.1008 3.019835   112.8000 5.800000   117.6000 6.300000   99.16645 2.553895   101.2429   2.717164 -2.076431 3.728988 
1 1 1   17    9    5 o 57.03332 1.989540  38.25352 1.746479   43.10000 3.100000   32.00000 4.000000   61.30060 2.208191   52.76604   3.310131 8.534554 3.979079 
1 1 1   17    9    6 o 52.52766 1.942028  31.16364 1.595455   28.30000 2.700000   35.30000 3.900000   49.65066 2.374535   55.40466   3.073675 -5.754005 3.884057 
1 1 1   17    9    7 o 23.25211 4.725832  6.496000 1.874667   6.200000 3.700000   6.800000 3.800000   22.76373 6.668558   23.74048   6.698080 -0.9767456 9.451663 
1 1 1   17    9    8 o 41.77955 2.268250  20.21639 1.521312   21.50000 2.900000   18.80000 3.200000   43.20477 2.930934   40.35432   3.462579 2.850452 4.536499 
1 1 1   17    9    9 o 30.13244 4.105104  10.86875 1.968750   4.700000 3.500000   18.80000 4.500000   20.16634 6.587448   40.09855   4.900310 -19.93221 8.210208 
1 1 1   17    9   10 o 63.86247 1.837254  47.10000 1.900000   46.80000 3.800000   47.40000 3.800000   63.65735 2.606602   64.06760   2.589911 -0.4102478 3.674509 
1 1 1   17    9   11 o 16.02260 3.642433  2.706383 1.174468   4.800000 2.400000  0.7000000 2.300000   19.70658 5.230782   12.33862   5.070324 7.367951 7.284865 
1 1 1   17    9   12 o 21.31790 3.773037  5.736538 1.298077   5.400000 2.500000   6.100000 2.700000   20.68589 5.264132   21.94990   5.406677 -1.264011 7.546075 
1 1 1   17    9   13 o 25.00311 4.543123  8.236486 1.844595   8.500000 3.900000   8.000000 3.500000   25.29334 6.646182   24.71287   6.195816 0.5804787 9.086246 
1 1 1   17    9   14 o 27.36960 3.853687  9.727273 1.643939   8.600000 3.100000   11.00000 3.500000   25.64917 5.445812   29.09003   5.454057 -3.440853 7.707374 
1 1 1   17    9   15 f 14.87985 4.030399  2.193104 1.422414   3.400000 2.500000  0.6000000 3.300000   16.29750 5.572226   13.46221   5.824667 2.835286 8.060798 
1 1 1   17    9   16 o 39.03645 3.095983  19.11282 1.917949   14.10000 3.400000   25.60000 4.400000   33.17092 4.475701   44.90197   4.278849 -11.73105 6.191967 
1 1 1   17   11    0 o 84.34582 1.942600  81.53396 2.626415   78.50000 4.800000   85.20000 5.800000   82.64585 2.536062   86.04578   2.943325 -3.399933 3.885199 
1 1 1   17   11    1 o 24.14965 4.372908  7.013043 1.707246   8.500000 3.800000   5.800000 3.100000   26.39399 6.361369   21.90531   6.001855 4.488682 8.745815 
1 1 1   17   11    2 o 17.30260 4.402697  2.695385 1.606154   1.000000 2.900000   4.800000 3.600000   14.12840 5.736361   20.47679   6.680503 -6.348387 8.805394 
1 1 1   17   11    3 o 93.51776 1.865497  100.6239 2.819469   97.90000 5.400000   103.6000 5.900000   92.21127 2.557110   94.82425   2.716892 -2.612976 3.730994 
1 1 1   17   11    4 o 65.38919 2.132917  48.71222 2.178889   45.30000 3.700000   53.60000 5.300000   62.71177 2.576276   68.06661   3.400020 -5.354847 4.265833 
1 1 1   17   11    5 f 52.84337 2.100477  32.01111 1.777778   28.90000 3.200000   35.90000 4.000000   50.01167 2.793948   55.67507   3.137176 -5.663403 4.200955 
1 1 1   17   11    6 o 46.23734 2.509730  24.83467 1.858667   24.20000 3.400000   25.60000 4.100000   45.64894 3.252280   46.82574   3.823304 -1.176807 5.019461 
1 1 1   17   11    7 o 12.71457 3.987654 -0.9897059 1.627941  0.4000000 2.700000  -3.100000 4.100000   12.77571 5.389757   12.65343   5.878441 0.1222763 7.975309 
1 1 1   17   11    8 o 50.98790 2.422983  30.55000 2.000000   29.70000 4.000000   31.40000 4.000000   50.25997 3.475182   51.71583   3.377351 -1.455864 4.845966 
1 1 1   17   11    9 o 15.88613 4.250053 0.6175678 1.844595   5.300000 3.500000  -4.600000 3.900000   20.50403 6.578394   11.26823   5.382987 9.235797 8.500107 
1 1 1   17   11   10 o 37.08781 3.404185  16.99383 2.009876   22.10000 4.400000   12.70000 3.700000   42.35231 4.536442   31.82331   5.076870 10.52899 6.808371 
1 1 1   17   11   11 o 13.89525 3.869667 -0.1500001 1.627941   3.900000 2.700000  -6.300000 4.100000   17.28989 5.791411   10.50061   5.133891 6.789283 7.739333 
1 1 1   17   11   12 o 16.33361 4.136906  3.317857 1.398214   3.800000 2.700000   2.800000 2.900000   17.06500 5.791039   15.60223   5.909301 1.462770 8.273812 
1 1 1   17   11   13 o 15.64184 4.090925  1.686301 1.747945   5.500000 2.900000  -4.100000 4.400000   19.58766 5.944547   11.69602   5.621835 7.891641 8.181849 
1 1 1   17   13    0 o 62.19395 2.290020  45.01739 2.260870   42.80000 4.000000   47.90000 5.200000   60.58883 2.882751   63.79908   3.559005 -3.210251 4.580041 
1 1 1   17   13    1 o 34.03616 2.922303  13.81875 1.585938   14.00000 2.900000   13.60000 3.500000   34.41988 3.678988   33.65244   4.541416 0.7674446 5.844605 
1 1 1   17   13    2 o 21.98768 4.460619  6.140298 1.656716   5.200000 3.000000   7.300000 3.700000   20.26417 6.023020   23.71119   6.581165 -3.447029 8.921239 
1 1 1   17   13    3 o 19.47559 4.641327  4.714286 1.714286   4.600000 4.000000   4.800000 3.000000   19.53746 7.019631   19.41371   6.073915 0.1237526 9.282654 
1 1 1   17   13    4 o 14.56526 4.209804  1.596825 1.574603   1.400000 3.100000   1.800000 3.200000   14.25583 5.875599   14.87470   6.030516 -0.6188784 8.419607 
1 1 1   17   13    5 o 24.19843 4.130022  7.793750 1.598437   7.600000 3.100000   8.000000 3.300000   23.93967 5.730567   24.45720   5.948860 -0.5175304 8.260044 
1 1 1   17   13    6 o 15.31196 4.317340 0.8232875 1.808219  -3.200000 3.300000   5.700000 4.000000   10.50585 5.000136   20.11807   7.039628 -9.612216 8.634681 
1 1 1   17   13    7 o 23.97038 4.654000  8.144000 1.872000   9.600000 3.900000   6.800000 3.600000   26.06173 6.543761   21.87903   6.619520 4.182701 9.308000 
1 1 1   17   13    8 o 38.71642 3.413573  19.30118 2.122353   20.70000 4.100000   17.80000 4.400000   40.51468 4.418869   36.91814   5.204183 3.596539 6.827146 
1 1 1   17   15    0 o 18.61695 4.972173  5.100000 2.050000   5.000000 4.100000   5.200000 4.100000   18.49494 7.021177   18.73896   7.042236 -0.2440186 9.944345 
1 1 1   18    0    0 o 194.1282 2.497676  431.8000 11.10000   431.8000 11.10000   431.8000 11.10000   194.1282 2.497676   194.1282   2.497676 0.000000 0.000000 
1 1 1   18    0    1 o 490.5338 5.707702  2758.300 64.10000   2758.300 64.10000   2758.300 64.10000   490.5338 5.707702   490.5338   5.707702 0.000000 0.000000 
1 1 1   18    0    2 o 22.43937 1.981477  5.900000 1.000000   5.900000 1.000000   5.900000 1.000000   22.43937 1.981477   22.43937   1.981477 0.000000 0.000000 
1 1 1   18    0    3 o 397.2724 4.705787  1808.700 42.80000   1808.700 42.80000   1808.700 42.80000   397.2724 4.705787   397.2724   4.705787 0.000000 0.000000 
1 1 1   18    0    4 o 94.94429 1.472504  103.3000 3.200000   103.3000 3.200000   103.3000 3.200000   94.94429 1.472504   94.94429   1.472504 0.000000 0.000000 
1 1 1   18    0    5 o 322.3242 3.889298  1190.500 28.70000   1190.500 28.70000   1190.500 28.70000   322.3242 3.889298   322.3242   3.889298 0.000000 0.000000 
1 1 1   18    0    6 o 223.6471 2.812507  573.1000 14.40000   573.1000 14.40000   573.1000 14.40000   223.6471 2.812507   223.6471   2.812507 0.000000 0.000000 
1 1 1   18    0    7 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   18    0    8 f 377.8233 4.612854  1636.400 39.90000   1636.400 39.90000   1636.400 39.90000   377.8233 4.612854   377.8233   4.612854 0.000000 0.000000 
1 1 1   18    0    9 o 117.4362 2.083694  158.1000 5.600000   158.1000 5.600000   158.1000 5.600000   117.4362 2.083694   117.4362   2.083694 0.000000 0.000000 
1 1 1   18    0   10 o 41.34143 2.557351  19.80000 2.400000   19.80000 2.400000   19.80000 2.400000   41.34143 2.557351   41.34143   2.557351 0.000000 0.000000 
1 1 1   18    0   11 f 110.5184 2.293800  140.1000 5.800000   140.1000 5.800000   140.1000 5.800000   110.5184 2.293800   110.5184   2.293800 0.000000 0.000000 
1 1 1   18    0   12 o 185.6053 3.767674  395.6000 16.00000   395.6000 16.00000   395.6000 16.00000   185.6053 3.767674   185.6053   3.767674 0.000000 0.000000 
1 1 1   18    0   13 o 87.02499 3.069392  87.20000 6.100000   87.20000 6.100000   87.20000 6.100000   87.02499 3.069392   87.02499   3.069392 0.000000 0.000000 
1 1 1   18    0   14 o 111.3704 2.236867  142.4000 5.700000   142.4000 5.700000   142.4000 5.700000   111.3704 2.236867   111.3704   2.236867 0.000000 0.000000 
1 1 1   18    0   15 o 179.4402 2.605014  370.0000 10.70000   370.0000 10.70000   370.0000 10.70000   179.4402 2.605014   179.4402   2.605014 0.000000 0.000000 
1 1 1   18    0   16 o 135.2517 2.229010  210.3000 6.900000   210.3000 6.900000   210.3000 6.900000   135.2517 2.229010   135.2517   2.229010 0.000000 0.000000 
1 1 1   18    0   17 o 5.235855 3.751261 -3.300000 2.100000  -3.300000 2.100000  -3.300000 2.100000   5.235855 3.751261   5.235855   3.751261 0.000000 0.000000 
1 1 1   18    0   18 o 43.17694 3.069598  21.90000 3.000000   21.90000 3.000000   21.90000 3.000000   43.17694 3.069598   43.17694   3.069598 0.000000 0.000000 
1 1 1   18    0   19 o 11.56507 6.827868  2.100000 3.100000   2.100000 3.100000   2.100000 3.100000   11.56507 6.827868   11.56507   6.827868 0.000000 0.000000 
1 1 1   18    0   20 o 16.42133 8.055614  5.200000 3.600000   5.200000 3.600000   5.200000 3.600000   16.42133 8.055614   16.42133   8.055614 0.000000 0.000000 
1 1 1   18    2    0 o 111.4189 1.433968  143.1120 2.356000   146.0000 3.800000   138.4000 6.200000   112.9124 1.469541   109.9254   2.462824 2.987053 2.867935 
1 1 1   18    2    1 o 269.6303 2.782201  832.3307 10.76923   830.5000 16.80000   835.6000 30.00000   269.2664 2.724374   269.9942   4.851840 -0.7277832 5.564402 
1 1 1   18    2    2 o 171.5493 1.857780  338.3720 4.712000   342.4000 7.600000   331.8000 12.40000   172.9094 1.919264   170.1893   3.181480 2.720154 3.715560 
1 1 1   18    2    3 o 172.9892 2.108967  343.0545 5.515152   344.0000 9.100000   341.6000 14.00000   173.3059 2.292808   172.6724   3.540338 0.6334991 4.217933 
1 1 1   18    2    4 o 534.7709 5.282342  3268.432 43.25586   3218.000 72.20000   3343.800 107.9000   529.8207 5.950425   539.7212   8.729547 -9.900513 10.56468 
1 1 1   18    2    5 o 467.8735 4.380413  2501.875 29.68754   2479.700 46.60000   2540.800 81.80000   465.1915 4.374152   470.5554   7.590708 -5.363861 8.760825 
1 1 1   18    2    6 o 162.4159 1.801300  302.1000 6.700000   302.1000 6.700000          ?        ?   162.4159 1.801300          ?          ?       ?       ? 
1 1 1   18    2    7 o 374.2042 3.811759  1599.035 21.93458   1568.900 36.80000   1643.500 54.30000   369.9630 4.343394   378.4455   6.265218 -8.482544 7.623518 
1 1 1   18    2    8 o 267.2946 2.785978  809.6650 10.71197   785.9000 16.60000   852.9000 30.20000   261.9060 2.767594   272.6832   4.836023 -10.77716 5.571956 
1 1 1   18    2    9 f 141.3495 1.807384  227.9441 3.763975   225.0000 6.000000   232.9000 10.10000   140.1519 1.869355   142.5472   3.093873 -2.395248 3.614767 
1 1 1   18    2   10 o 179.1351 2.200361  372.3342 5.831301   386.7000 9.500000   349.5000 15.10000   183.7129 2.257999   174.5574   3.777273 9.155457 4.400722 
1 1 1   18    2   11 o 179.3842 2.108155  370.4000 5.643697   375.0000 9.200000   363.1000 14.60000   180.8910 2.220805   177.8773   3.584034 3.013748 4.216311 
1 1 1   18    2   12 o 136.8499 1.951023  211.6940 3.677711   205.2000 5.500000   224.8000 11.10000   133.8094 1.794798   139.8904   3.464774 -6.080917 3.902046 
1 1 1   18    2   13 o 149.8473 1.963129  257.4157 4.326487   255.7000 6.900000   260.3000 11.60000   149.2997 2.018041   150.3950   3.367939 -1.095352 3.926259 
1 1 1   18    2   14 o 164.6615 2.178709  317.8987 5.157466   333.0000 8.200000   292.3000 13.90000   170.2915 2.102619   159.0314   3.816554 11.26007 4.357418 
1 1 1   18    2   15 o 30.28142 2.538200  10.37400 1.218000   8.400000 2.100000   13.10000 2.900000   26.94804 3.402764   33.61480   3.767100 -6.666763 5.076400 
1 1 1   18    2   16 o 59.83247 2.201650  41.95663 2.007229   43.80000 3.400000   39.30000 4.900000   61.60771 2.409814   58.05722   3.685357 3.550484 4.403301 
1 1 1   18    2   17 o 39.81010 5.045501  0.000000 0.000000          ?        ?   19.10000 4.600000          ?        ?   39.81010   5.045501       ?       ? 
1 1 1   18    2   18 o 23.74357 4.555506  7.306945 1.731945   6.300000 2.900000   8.800000 4.300000   22.03217 5.703131   25.45497   7.105269 -3.422800 9.111012 
1 1 1   18    2   19 o 43.42714 3.160283  23.45349 2.033721   23.30000 3.300000   23.70000 5.300000   44.06916 3.269783   42.78512   5.409073 1.284035 6.320566 
1 1 1   18    2   20 o 39.46666 3.430515  18.99524 1.795238   17.20000 2.600000   23.00000 5.800000   37.90435 2.995187   41.02896   6.172728 -3.124615 6.861029 
1 1 1   18    4    0 o 329.3943 3.458050  1237.358 17.45199   1211.300 29.10000   1276.400 43.60000   325.1424 3.908040   333.6462   5.706109 -8.503754 6.916101 
1 1 1   18    4    1 f 231.8077 2.044703  615.5059 7.674267   616.1000 15.20000   614.9000 15.50000   231.9215 2.861820   231.6940   2.921169 0.2275238 4.089406 
1 1 1   18    4    2 o 624.1237 7.131276  4476.031 72.07353   4502.600 144.8000   4449.700 143.5000   625.9642 10.10087   622.2831   10.06940 3.681152 14.26255 
1 1 1   18    4    3 o 378.3791 3.318782  1639.826 20.28290   1619.400 38.80000   1662.200 42.50000   375.9235 4.506838   380.8347   4.872952 -4.911255 6.637563 
1 1 1   18    4    4 o 109.6525 1.338125  137.6937 2.372632   137.5000 4.600000   137.9000 4.900000   109.5734 1.833126   109.7316   1.949862 -0.1582260 2.676250 
1 1 1   18    4    5 f 290.4428 2.567282  966.5201 12.07371   954.1000 23.90000   979.2000 24.40000   288.5581 3.616632   292.3275   3.644684 -3.769409 5.134564 
1 1 1   18    4    6 o 34.06604 2.479296  13.24444 1.303704   13.00000 2.200000   13.60000 3.200000   33.68605 2.851755   34.44603   4.056491 -0.7599716 4.958591 
1 1 1   18    4    7 o 148.4441 2.101866  254.5589 4.361979   259.2000 6.700000   245.9000 12.50000   150.4299 1.944824   146.4583   3.726798 3.971649 4.203732 
1 1 1   18    4    8 o 100.7827 1.688317  114.2029 2.262857   110.4000 3.300000   122.5000 7.200000   98.18021 1.467674   103.3851   3.040984 -5.204903 3.376633 
1 1 1   18    4    9 o 26.42630 4.023517  7.898508 1.510448   6.800000 2.300000   10.00000 4.400000   23.96855 4.350335   28.88405   6.769736 -4.915506 8.047033 
1 1 1   18    4   10 o 175.5567 1.991157  354.7383 5.369820   360.6000 9.100000   346.3000 13.10000   177.3786 2.240165   173.7348   3.292489 3.643814 3.982313 
1 1 1   18    4   11 o 46.57989 2.756423  25.03049 2.006098   24.40000 4.700000   25.50000 3.500000   46.03682 4.457920   47.12296   3.243211 -1.086140 5.512846 
1 1 1   18    4   12 o 116.4308 2.108323  155.8321 3.974843   158.7000 8.000000   153.0000 7.900000   117.4968 2.973060   115.3648   2.990153 2.131935 4.216646 
1 1 1   18    4   13 o 103.0467 1.717231  121.5973 2.649107   120.1000 4.300000   124.0000 6.900000   102.3051 1.835317   103.7884   2.902954 -1.483292 3.434462 
1 1 1   18    4   14 o 37.97973 2.826119  17.98889 1.555556   23.50000 2.800000   11.10000 3.500000   45.15665 2.707547   30.80280   4.961552 14.35385 5.652239 
1 1 1   18    4   15 o 70.54065 1.542062  57.11428 1.714286   55.70000 3.000000   59.00000 4.000000   69.58189 1.882629   71.49942   2.442852 -1.917534 3.084124 
1 1 1   18    4   16 o 34.25816 3.147124  13.77761 1.510448   13.40000 2.300000   14.50000 4.400000   33.92818 2.960104   34.58814   5.554758 -0.6599579 6.294247 
1 1 1   18    4   17 o 48.88791 1.994745  27.77778 1.555556   26.80000 2.800000   29.00000 3.500000   48.00810 2.546732   49.76772   3.070860 -1.759613 3.989489 
1 1 1   18    4   18 o 34.24996 3.179332  13.83803 1.673239   11.10000 2.700000   18.30000 4.400000   30.28852 3.892472   38.21141   5.028047 -7.922890 6.358663 
1 1 1   18    4   19 o 14.63769 3.917917  1.493103 1.448276   4.700000 3.000000  -1.500000 2.800000   18.61627 6.099652   10.65912   4.918794 7.957147 7.835834 
1 1 1   18    6    0 o 53.84146 1.515256  32.69057 1.301887   27.70000 2.300000   39.20000 3.000000   49.17962 2.042125   58.50330   2.239137 -9.323673 3.030513 
1 1 1   18    6    1 o 247.4176 2.203941  700.6691 8.799434   688.7000 16.70000   714.0000 18.60000   245.1915 2.974068   249.6438   3.253358 -4.452347 4.407881 
1 1 1   18    6    2 o 170.1723 1.814121  331.1775 4.987500   318.4000 9.500000   345.3000 10.50000   166.7241 2.488084   173.6205   2.640755 -6.896362 3.628243 
1 1 1   18    6    3 o 256.1992 2.386198  752.0129 9.897727   743.1000 19.50000   761.2000 20.10000   254.6594 3.343602   257.7389   3.405303 -3.079483 4.772396 
1 1 1   18    6    4 o 392.6677 4.859549  1768.800 43.70000   1768.800 43.70000          ?        ?   392.6677 4.859549          ?          ?       ?       ? 
1 1 1   18    6    5 f 46.73160 2.457401  25.22329 1.783562   23.90000 4.200000   26.20000 3.100000   45.64874 4.017540   47.81445   2.831016 -2.165707 4.914802 
1 1 1   18    6    6 o 56.97054 2.046789  37.05333 1.834667   38.20000 4.300000   36.20000 3.200000   57.73069 3.252382   56.21038   2.485840 1.520306 4.093578 
1 1 1   18    6    7 o 142.2005 1.835828  231.5763 4.213017   227.6000 8.000000   236.0000 8.900000   140.9185 2.478915   143.4824   2.708513 -2.563873 3.671657 
1 1 1   18    6    8 o 191.1351 2.082495  418.6510 6.373541   415.1000 11.70000   422.9000 14.00000   190.2713 2.685050   191.9990   3.183969 -1.727661 4.164991 
1 1 1   18    6    9 o 127.3407 1.774825  184.6637 3.581507   175.3000 6.300000   197.0000 8.300000   123.6492 2.224790   131.0322   2.765920 -7.383080 3.549649 
1 1 1   18    6   10 o 80.13612 1.648202  73.76353 2.101177   74.30000 3.800000   73.10000 4.700000   80.48186 2.061699   79.79037   2.572095 0.6914902 3.296403 
1 1 1   18    6   11 o 60.35140 1.739581  41.85000 1.700000   41.30000 3.400000   42.40000 3.400000   59.95346 2.476306   60.74934   2.443864 -0.7958755 3.479162 
1 1 1   18    6   12 o 28.00854 3.135795  9.243636 1.352727   9.200000 2.400000   9.300000 3.100000   28.19646 3.716690   27.82062   5.051639 0.3758411 6.271590 
1 1 1   18    6   13 f 18.64978 4.415307  3.512329 1.673972   5.400000 2.600000  0.1000000 4.700000   20.99971 5.381643   16.29985   7.001260 4.699862 8.830613 
1 1 1   18    6   14 o 39.57658 2.859922  17.18919 1.686486   13.50000 2.600000   24.00000 4.800000   34.06565 3.332701   45.08752   4.648625 -11.02188 5.719844 
1 1 1   18    6   15 o 22.34639 4.312813  6.446269 1.591045   7.300000 2.600000   5.100000 4.100000   24.22441 4.855719   20.46837   7.129055 3.756037 8.625626 
1 1 1   18    6   16 o 31.02027 4.039046  11.27342 1.708861   8.900000 2.500000   16.40000 5.400000   27.19995 4.013391   34.84058   7.010582 -7.640621 8.078093 
1 1 1   18    6   17 o 20.77425 3.609467  5.132051 1.698718   10.10000 2.500000  -5.400000 5.300000   28.78774 3.792033   12.76076   6.142760 16.02699 7.218935 
1 1 1   18    6   18 o 17.25976 4.047346  2.618750 1.560938  -1.600000 2.700000   8.400000 3.700000   10.32472 4.787491   24.19481   6.527170 -13.87009 8.094691 
1 1 1   18    8    0 o 61.75054 2.006258  43.79873 1.921519   44.30000 3.300000   43.10000 4.600000   62.18276 2.317307   61.31833   3.275723 0.8644295 4.012515 
1 1 1   18    8    1 f 138.8123 1.669718  219.2360 3.696000   206.3000 6.600000   235.7000 8.400000   134.1968 2.147542   143.4279   2.557322 -9.231110 3.339436 
1 1 1   18    8    2 o 252.4204 2.482941  729.5093 10.12537   704.6000 19.30000   757.0000 21.30000   247.9047 3.399477   256.9361   3.619880 -9.031357 4.965881 
1 1 1   18    8    3 o 136.6341 1.627519  213.9827 3.599306   216.3000 7.100000   211.6000 7.300000   137.3866 2.256595   135.8815   2.345860 1.505081 3.255039 
1 1 1   18    8    4 o 107.9477 1.618761  133.7150 2.824779   141.0000 5.600000   126.3000 5.700000   110.9217 2.204506   104.9738   2.371012 5.947937 3.237521 
1 1 1   18    8    5 o 51.68499 2.120719  30.64507 1.774648   30.30000 3.500000   31.00000 3.600000   51.39073 2.973877   51.97924   3.024212 -0.5885124 4.241439 
1 1 1   18    8    6 o 50.73489 2.023331  29.63636 1.636364   30.50000 3.000000   28.60000 3.600000   51.56304 2.540519   49.90673   3.149801 1.656311 4.046663 
1 1 1   18    8    7 o 63.32722 1.849387  45.61316 1.878947   40.20000 3.400000   52.30000 4.200000   59.17449 2.508904   67.47995   2.717779 -8.305462 3.698774 
1 1 1   18    8    8 o 45.36011 2.363788  23.64783 1.695652   24.10000 3.900000   23.30000 3.000000   45.71099 3.725492   45.00923   2.910444 0.7017593 4.727577 
1 1 1   18    8    9 o 15.12123 4.173433  1.498361 1.514754  0.2000000 3.300000   2.600000 2.800000   14.00397 5.935998   16.23849   5.868058 -2.234516 8.346867 
1 1 1   18    8   10 o 32.04579 3.038540  11.92097 1.491935   11.80000 2.500000   12.10000 3.700000   31.93842 3.417955   32.15317   5.024787 -0.2147522 6.077080 
1 1 1   18    8   11 o 53.07029 2.342512  32.74000 1.980000   33.10000 3.600000   32.30000 4.400000   53.47238 2.939765   52.66821   3.647908 0.8041763 4.685025 
1 1 1   18    8   12 o 31.93665 3.576322  12.13513 1.844595   11.00000 3.500000   13.40000 3.900000   30.36856 5.032497   33.50473   5.082743 -3.136173 7.152643 
1 1 1   18    8   13 o 26.41912 3.970974  8.857575 1.648485   10.30000 3.400000   7.500000 3.200000   28.64489 5.380453   24.19336   5.841684 4.451527 7.941948 
1 1 1   18    8   14 o 19.46820 4.317970  4.887097 1.548387   3.700000 3.200000   6.000000 3.000000   17.57889 6.282498   21.35752   5.925343 -3.778624 8.635941 
1 1 1   18    8   15 o 29.15419 4.242741  12.18947 1.768421   14.40000 2.800000   8.400000 4.800000   34.54367 3.539397   23.76470   7.712073 10.77897 8.485481 
1 1 1   18    8   16 o 17.18800 4.660015  3.402631 1.878947   4.700000 3.400000   1.800000 4.200000   18.62749 6.491781   15.74851   6.687280 2.878975 9.320029 
1 1 1   18   10    0 o 43.70654 2.263184  21.93125 1.598437   19.80000 3.100000   24.20000 3.300000   41.51304 3.260745   45.90005   3.139356 -4.387005 4.526368 
1 1 1   18   10    1 o 59.61913 2.334459  40.67778 2.222222   38.90000 4.000000   42.90000 5.000000   58.18256 3.001974   61.05570   3.575884 -2.873138 4.668918 
1 1 1   18   10    2 o 102.2784 1.827017  120.0777 3.019835   118.4000 5.800000   121.9000 6.300000   101.5440 2.494098   103.0129   2.670476 -1.468887 3.654035 
1 1 1   18   10    3 o 45.35432 2.577656  23.84400 1.874667   28.10000 3.800000   19.70000 3.700000   49.39386 3.359312   41.31478   3.910533 8.079082 5.155312 
1 1 1   18   10    4 o 35.54019 3.231156  14.70000 1.850000   16.40000 3.700000   13.00000 3.700000   37.62886 4.293589   33.45153   4.829759 4.177330 6.462312 
1 1 1   18   10    5 o 34.65580 3.061071  13.45217 1.663768   9.800000 2.800000   18.80000 4.100000   29.07330 4.205363   40.23831   4.449220 -11.16501 6.122143 
1 1 1   18   10    6 o 51.66154 2.183340  30.82192 1.824658   28.80000 3.600000   32.90000 3.700000   49.93473 3.148034   53.38835   3.026181 -3.453617 4.366680 
1 1 1   18   10    7 o 36.89566 3.045774  16.14648 1.746479   17.50000 3.100000   14.40000 4.000000   38.82449 3.486548   34.96683   4.995091 3.857658 6.091547 
1 1 1   18   10    8 o 72.22915 1.842577  59.56977 2.093023   55.30000 3.600000   65.50000 5.000000   69.25335 2.269872   75.20495   2.903108 -5.951599 3.685154 
1 1 1   18   10    9 o 49.57179 2.226614  26.56667 1.600000   21.20000 2.400000   37.30000 4.800000   42.79005 2.449109   56.35353   3.719288 -13.56348 4.453228 
1 1 1   18   10   10 o 13.95512 3.890077 0.9210526 1.421053   3.100000 2.700000  -1.500000 3.000000   16.48261 5.782739   11.42764   5.204875 5.054975 7.780153 
1 1 1   18   10   11 o 25.17140 3.993311  8.166667 1.648485   11.00000 3.400000   5.500000 3.200000   29.86798 4.970645   20.47482   6.251306 9.393162 7.986623 
1 1 1   18   10   12 f 16.84444 4.503001  2.660000 1.680000   6.200000 4.200000  0.3000000 2.800000   21.22147 7.222592   12.46742   5.379798 8.754043 9.006001 
1 1 1   18   10   13 o 44.76498 2.494003  24.68696 1.721739   34.60000 3.600000   15.60000 3.300000   53.93076 2.914779   35.59921   4.047747 18.33155 4.988005 
1 1 1   18   10   14 o 22.73091 4.178184  7.438461 1.624615   9.900000 3.200000   4.900000 3.300000   26.94432 5.374327   18.51749   6.398865 8.426832 8.356367 
1 1 1   18   12    0 o 58.18051 2.521986  39.57021 2.323404   41.00000 4.200000   37.80000 5.200000   59.47933 3.083351   56.88169   3.991816 2.597633 5.043971 
1 1 1   18   12    1 o 11.86954 3.920886 -3.089189 1.816216  -2.700000 3.200000  -3.600000 4.200000   11.11537 5.173678   12.62372   5.892914 -1.508357 7.841772 
1 1 1   18   12    2 o 13.28014 3.865867      0.05 1.450000   2.400000 2.900000  -2.300000 2.900000   15.86164 5.930153   10.69865   4.961149 5.162984 7.731734 
1 1 1   18   12    3 o 41.48861 2.865350  20.24156 1.916883   21.20000 4.100000   19.40000 3.600000   42.35671 4.226699   40.62051   3.869874 1.736202 5.730699 
1 1 1   18   12    4 o 27.37329 4.424350  9.280519 1.831169   7.800000 3.000000   11.60000 4.700000   24.92418 5.410985   29.82240   7.001480 -4.898220 8.848700 
1 1 1   18   12    5 o 16.54029 4.795579  1.754217 2.067470   2.600000 3.900000  0.8000000 4.400000   17.12260 6.751791   15.95798   6.812021 1.164615 9.591158 
1 1 1   18   12    6 o 14.25726 4.068065  1.018033 1.524590   3.000000 3.100000 -0.9000000 3.000000   16.62413 6.147747   11.89039   5.329337 4.733740 8.136130 
1 1 1   18   12    7 o 16.79011 3.869761  1.333333 1.750000   7.000000 3.000000  -6.600000 4.200000   22.93237 5.728919   10.64785   5.203816 12.28453 7.739522 
1 1 1   18   12    8 o 13.04507 4.068228 -1.034247 1.816438  -4.400000 3.900000   1.900000 3.400000   11.03097 5.299712   15.05916   6.173731 -4.028185 8.136456 
1 1 1   18   12    9 o 15.62419 4.636708  1.934177 1.921519   2.400000 4.600000   1.600000 3.300000   16.73573 7.046346   14.51265   6.028704 2.223080 9.273417 
1 1 1   18   12   10 o 15.06220 4.594743 0.4597701 2.174713  -3.000000 4.300000   4.000000 4.400000   12.25140 5.794737   17.87300   7.132157 -5.621599 9.189486 
1 1 1   18   14    0 o 15.73475 4.621711  1.530380 1.903798 -0.9000000 3.200000   5.100000 4.700000   11.93495 5.412579   19.53455   7.492986 -7.599595 9.243422 
1 1 1   18   14    1 o 16.74012 4.606716  3.040000 1.858667   4.400000 3.400000   1.400000 4.100000   18.19916 6.478858   15.28107   6.550704 2.918086 9.213432 
1 1 1   18   14    2 o 16.19832 4.573339  2.064286 1.928571   4.100000 3.000000  -1.600000 5.400000   17.64789 6.100924   14.74875   6.814722 2.899136 9.146677 
1 1 1   18   14    3 o 17.31503 4.585838  3.716901 1.766197   2.700000 3.800000   4.600000 3.300000   16.21714 6.572708   18.41293   6.396809 -2.195793 9.171677 
1 1 1   18   14    4 o 15.69517 4.731823 0.6252747 2.252747  -3.700000 4.100000   5.900000 5.000000   11.49238 5.498104   19.89796   7.702693 -8.405585 9.463647 
1 1 1   19    1    0 o 164.8611 1.564682  311.3880 4.173653   316.2000 8.200000   306.4000 8.500000   166.1596 2.154905   163.5627   2.269208 2.596817 3.129364 
1 1 1   19    1    1 o 183.0858 1.728622  383.9507 5.124878   384.1000 10.20000   383.8000 10.30000   183.1218 2.432203   183.0497   2.457016 0.7209778E-01 3.457244 
1 1 1   19    1    2 o 519.3431 5.215654  3095.479 41.89792   3099.900 71.40000   3089.200 101.4000   519.9660 5.996018   518.7203   8.535804 1.245667 10.43131 
1 1 1   19    1    3 o 415.6472 4.131018  1989.934 26.76840   2039.300 46.60000   1923.300 62.90000   421.8205 4.823896   409.4739   6.707553 12.34659 8.262036 
1 1 1   19    1    4 f 116.3061 1.570539  153.6436 2.811966   148.1000 4.700000   161.9000 7.000000   113.7197 1.804687   118.8924   2.570890 -5.172722 3.141078 
1 1 1   19    1    5 o 331.4234 2.799631  1257.552 15.00300   1228.700 28.90000   1288.700 31.20000   327.4786 3.853494   335.3683   4.062304 -7.889679 5.599261 
1 1 1   19    1    6 o 252.3185 2.343502  729.4118 9.574412   730.9000 19.00000   727.9000 19.30000   252.5792 3.284700   252.0578   3.343465 0.5213470 4.687005 
1 1 1   19    1    7 o 229.1526 2.196316  601.2565 8.145092   632.3000 16.70000   571.7000 15.90000   234.9232 3.104062   223.3819   3.108056 11.54123 4.392631 
1 1 1   19    1    8 o 63.50645 1.555859  46.23492 1.526984   46.00000 3.700000   46.40000 2.600000   63.36462 2.549732   63.64827   1.783719 -0.2836494 3.111718 
1 1 1   19    1    9 o 137.5316 1.914352  216.4629 4.212353   219.8000 9.300000   213.7000 7.700000   138.4910 2.932250   136.5722   2.461887 1.918854 3.828705 
1 1 1   19    1   10 o 158.4751 2.075794  288.5736 5.269811   280.4000 11.40000   295.6000 9.800000   156.3656 3.183490   160.5846   2.664783 -4.219040 4.151587 
1 1 1   19    1   11 o 42.99162 1.768655  21.25510 1.220408   20.30000 2.600000   22.10000 2.300000   42.07425 2.698340   43.90899   2.287252 -1.834747 3.537310 
1 1 1   19    1   12 o 251.2025 2.403134  724.9785 9.769821   717.7000 19.10000   732.6000 20.00000   249.9280 3.337015   252.4770   3.458979 -2.549011 4.806267 
1 1 1   19    1   13 o 95.28242 1.491805  104.0370 2.290217   101.7000 4.300000   106.7000 4.900000   94.15029 1.994282   96.41456   2.219183 -2.264267 2.983611 
1 1 1   19    1   14 o 109.0288 1.970836  134.6874 3.063704   144.4000 8.800000   129.5000 4.700000   111.8472 3.435557   106.2103   1.932283 5.636871 3.941671 
1 1 1   19    1   15 o 116.4979 1.980584  154.3342 3.376028   165.8000 9.300000   147.8000 5.300000   119.6263 3.394658   113.3695   2.041358 6.256767 3.961167 
1 1 1   19    1   16 o 45.80328 2.354237  24.13286 1.727143   20.90000 3.100000   28.20000 3.900000   42.40864 3.191884   49.19791   3.461447 -6.789268 4.708475 
1 1 1   19    1   17 o 21.00408 3.668131  5.161539 1.230769   2.700000 2.000000   9.100000 3.200000   15.12648 4.981514   26.88167   5.385653 -11.75519 7.336262 
1 1 1   19    1   18 o 34.44133 3.127120  14.76765 1.686765   12.70000 3.700000   16.50000 3.100000   31.82405 5.076752   37.05860   3.652686 -5.234550 6.254241 
1 1 1   19    1   19 o 15.77619 4.881001 0.5574467 2.221277  -2.200000 3.600000   5.000000 5.800000   11.70123 5.460099   19.85114   8.092217 -8.149915 9.762001 
1 1 1   19    1   20 o 9.108236 3.146683 -4.521311 1.514754  -4.200000 2.800000  -4.900000 3.300000   8.771461 4.278514   9.445012   4.615276 -0.6735516 6.293366 
1 1 1   19    3    0 o 316.7180 2.749972  1149.231 14.09131   1148.500 27.50000   1150.000 28.90000   316.6189 3.792587   316.8170   3.983172 -0.1981506 5.499943 
1 1 1   19    3    1 o 325.4638 2.803788  1213.898 14.77394   1225.400 29.30000   1202.200 29.80000   327.0220 3.912284   323.9056   4.017330 3.116425 5.607576 
1 1 1   19    3    2 o 527.5087 4.378688  3189.817 37.38289   3170.000 73.20000   3210.500 76.40000   525.8462 6.078439   529.1711   6.304302 -3.324890 8.757377 
1 1 1   19    3    3 o 264.2832 2.754357  793.4925 10.27071   778.0000 15.70000   822.8000 29.70000   260.6259 2.630400   267.9406   4.840137 -7.314758 5.508714 
1 1 1   19    3    4 o 260.9076 2.585946  779.9834 9.712114   780.2000 15.20000   779.6000 26.90000   260.9943 2.543035   260.8210   4.503492 0.1732788 5.171892 
1 1 1   19    3    5 o 126.1596 1.450427  182.9339 2.716522   185.0000 4.400000   179.6000 7.100000   127.1000 1.511634   125.2192   2.475867 1.880859 2.900854 
1 1 1   19    3    6 o 403.7780 4.280830  1847.075 26.22226   1759.500 42.80000   1985.600 67.70000   391.7386 4.770755   415.8173   7.109283 -24.07867 8.561660 
1 1 1   19    3    7 o 51.73692 1.666320  30.00000 1.200000   28.60000 1.800000   32.80000 3.600000   49.97175 1.572851   53.50209   2.938133 -3.530334 3.332639 
1 1 1   19    3    8 o 432.4268 4.547220  2157.695 30.75510   2202.500 53.80000   2097.900 71.80000   437.9536 5.364064   426.9001   7.344089 11.05344 9.094440 
1 1 1   19    3    9 o 90.63956 2.110919  93.77581 3.079839   87.80000 5.700000   100.8000 6.700000   87.51707 2.843949   93.76205   3.120236 -6.244972 4.221838 
1 1 1   19    3   10 o 113.3696 1.787809  147.6761 3.200769   150.0000 5.700000   144.7000 7.300000   114.4058 2.175538   112.3333   2.837618 2.072433 3.575617 
1 1 1   19    3   11 o 141.2491 1.879549  229.5072 3.947305   231.5000 6.400000   226.3000 10.30000   142.1125 1.966470   140.3856   3.203719 1.726929 3.759098 
1 1 1   19    3   12 o 93.46364 1.661159  101.5948 2.311340   106.1000 3.800000   94.60000 5.900000   96.19597 1.724910   90.73132   2.839452 5.464653 3.322319 
1 1 1   19    3   13 o 91.63942 1.836554  97.93365 2.669159   112.9000 5.100000   81.50000 5.600000   99.13798 2.246311   84.14087   2.906168 14.99711 3.673108 
1 1 1   19    3   14 o 73.19260 2.119192  62.78144 2.331959   66.40000 3.900000   57.40000 5.800000   75.98255 2.241251   70.40266   3.597317 5.579895 4.238383 
1 1 1   19    3   15 o 26.41427 3.202764  9.658333 1.166667   13.70000 2.000000   4.000000 2.800000   34.44240 2.535574   18.38614   5.882317 16.05626 6.405528 
1 1 1   19    3   16 o 75.50108 1.860596  65.91724 1.965517   65.40000 3.000000   66.90000 5.700000   75.35425 1.738414   75.64791   3.290164 -0.2936630 3.721191 
1 1 1   19    3   17 f 14.05524 3.751426  1.100000 1.342593   3.600000 2.500000  -1.800000 2.900000   17.17303 5.565022   10.93746   5.032229 6.235569 7.502852 
1 1 1   19    3   18 o 24.54293 4.140701  7.947692 1.578462   7.200000 2.700000   9.000000 3.800000   23.51759 5.155326   25.56826   6.481067 -2.050676 8.281402 
1 1 1   19    3   19 o 18.31941 4.447340  4.054430 1.708861   5.700000 2.500000  0.5000000 5.400000   20.63119 5.271700   16.00762   7.164114 4.623573 8.894681 
1 1 1   19    5    0 o 64.29809 1.248721  47.35000 1.300000   46.40000 2.600000   48.30000 2.600000   63.65294 1.783588   64.94324   1.748151 -1.290310 2.497443 
1 1 1   19    5    1 o 188.7269 2.952978  408.0801 9.023269   413.2000 18.30000   403.1000 17.80000   189.8935 4.208047   187.5604   4.143989 2.333160 5.905955 
1 1 1   19    5    2 o 443.4863 4.425169  2258.379 30.24648   2244.700 73.70000   2267.900 51.30000   442.2017 7.277575   444.7708   5.036407 -2.569092 8.850339 
1 1 1   19    5    3 o 450.5803 4.690968  2333.137 33.03048   2311.500 77.80000   2349.100 57.40000   448.6007 7.572850   452.5598   5.538289 -3.959137 9.381935 
1 1 1   19    5    4 o 392.2307 3.417465  1764.341 21.69067   1771.000 42.50000   1757.400 44.30000   392.9995 4.722116   391.4618   4.941446 1.537750 6.834930 
1 1 1   19    5    5 o 131.2682 2.361774  0.000000 0.000000          ?        ?   197.4000 7.100000          ?        ?   131.2682   2.361774       ?       ? 
1 1 1   19    5    6 o 247.4687 2.439197  702.0455 9.774425   695.0000 19.40000   709.2000 19.70000   246.2182 3.440498   248.7192   3.458570 -2.501038 4.878395 
1 1 1   19    5    7 o 228.8813 2.253199  600.1961 8.339222   590.7000 16.10000   610.4000 17.30000   227.0110 3.096839   230.7516   3.273716 -3.740570 4.506399 
1 1 1   19    5    8 o 97.83669 1.609602  109.6549 2.549020   104.9000 5.000000   114.6000 5.200000   95.67366 2.282009   99.99972   2.270619 -4.326057 3.219204 
1 1 1   19    5    9 o 98.08103 1.932709  109.1967 2.950820   103.5000 5.000000   117.4000 7.200000   95.01620 2.297799   101.1459   3.108308 -6.129669 3.865418 
1 1 1   19    5   10 o 108.3577 1.699432  133.3845 2.679310   129.8000 4.200000   139.7000 7.400000   106.4167 1.723372   110.2987   2.929550 -3.881981 3.398864 
1 1 1   19    5   11 o 16.18315 3.968179  2.420690 1.277586   3.600000 1.900000   0.000000 3.900000   17.34720 4.676314   15.01909   6.412321 2.328118 7.936357 
1 1 1   19    5   12 o 12.02974 3.842095 -1.528788 1.498485 -0.1000000 2.300000  -4.200000 4.300000   11.43526 4.904339   12.62421   5.915593 -1.188949 7.684190 
1 1 1   19    5   13 o 18.50042 4.492064  3.649254 1.540299   3.900000 2.400000   3.200000 4.300000   18.08746 5.389685   18.91338   7.187897 -0.8259163 8.984128 
1 1 1   19    5   14 o 46.99166 2.677191  27.08919 1.686486   29.90000 2.600000   21.90000 4.800000   50.93031 2.229137   43.05301   4.868300 7.877293 5.354382 
1 1 1   19    5   15 o 49.29241 2.209699  27.61304 1.565217   25.70000 2.400000   31.20000 4.500000   47.14000 2.223112   51.44482   3.819535 -4.304825 4.419398 
1 1 1   19    5   16 o 25.64711 4.220076  8.298551 1.663768   7.000000 2.800000   10.20000 4.100000   23.45141 5.333896   27.84280   6.541078 -4.391386 8.440151 
1 1 1   19    5   17 o 30.03174 3.730029  12.27273 1.612121   15.20000 2.800000   8.300000 3.800000   35.62146 3.432307   24.44202   6.623575 11.17943 7.460058 
1 1 1   19    5   18 o 23.41354 5.414591  8.068421 2.258947   6.900000 3.700000   9.900000 5.800000   21.94722 6.725646   24.87986   8.487455 -2.932640 10.82918 
1 1 1   19    7    0 o 80.34953 1.423169  73.90945 1.844595   74.70000 3.900000   73.20000 3.500000   80.75581 2.108776   79.94324   1.911728 0.8125763 2.846338 
1 1 1   19    7    1 o 192.6328 3.694851  0.000000 0.000000          ?        ?   425.4000 16.30000          ?        ?   192.6328   3.694851       ?       ? 
1 1 1   19    7    2 o 212.0183 3.006902  0.000000 0.000000          ?        ?   515.2000 14.60000          ?        ?   212.0183   3.006902       ?       ? 
1 1 1   19    7    3 o 103.7907 1.636145  123.3727 2.749091   119.2000 5.400000   127.7000 5.600000   102.0036 2.311627   105.5778   2.316088 -3.574158 3.272291 
1 1 1   19    7    4 o 153.8029 1.802793  271.2888 4.451397   273.7000 8.300000   268.5000 9.600000   154.5502 2.345029   153.0555   2.738811 1.494751 3.605585 
1 1 1   19    7    5 o 244.9944 2.364547  687.3467 9.333333   669.1000 17.50000   708.2000 20.00000   241.5388 3.163668   248.4500   3.515044 -6.911148 4.729094 
1 1 1   19    7    6 o 95.16348 1.720214  103.1292 2.616038   96.70000 4.700000   111.2000 5.900000   91.84976 2.234393   98.47720   2.616110 -6.627434 3.440428 
1 1 1   19    7    7 o 34.80521 3.215009  13.95555 1.777778   14.00000 3.200000   13.90000 4.000000   34.88958 4.004922   34.72084   5.030480 0.1687355 6.430018 
1 1 1   19    7    8 o 159.1559 1.884463  290.9206 4.837113   291.3000 9.200000   290.5000 10.20000   159.2896 2.521971   159.0223   2.800798 0.2672882 3.768927 
1 1 1   19    7    9 o 128.7222 1.727655  190.3854 3.599306   192.9000 7.100000   187.8000 7.300000   129.5930 2.392305   127.8514   2.493200 1.741539 3.455310 
1 1 1   19    7   10 o 73.82974 1.653621  62.66709 1.972152   63.10000 3.800000   62.20000 4.100000   74.10636 2.239071   73.55312   2.434011 0.5532455 3.307241 
1 1 1   19    7   11 o 15.68446 3.929975  2.540000 1.248000   2.300000 2.400000   2.800000 2.600000   15.12613 5.437098   16.24280   5.675984 -1.116670 7.859951 
1 1 1   19    7   12 o 29.04937 3.060337  10.27778 1.333333   11.70000 2.400000   8.500000 3.000000   31.73387 3.302387   26.36488   5.153337 5.368988 6.120673 
1 1 1   19    7   13 o 25.17845 3.932392  7.823810 1.485714   7.900000 2.400000   7.700000 3.900000   25.87002 4.050925   24.48689   6.741279 1.383133 7.864784 
1 1 1   19    7   14 o 26.41083 4.394734  8.760000 1.834667   6.200000 3.200000   12.20000 4.300000   21.98884 6.126501   30.83282   6.302441 -8.843981 8.789469 
1 1 1   19    7   15 o 40.82716 2.576882  20.03235 1.698529   17.80000 3.300000   22.40000 3.500000   38.42681 3.749897   43.22751   3.535473 -4.800701 5.153765 
1 1 1   19    7   16 o 17.31002 4.230541  3.556522 1.498551   4.800000 2.200000  0.9000000 4.700000   19.05996 4.983773   15.56008   6.837537 3.499877 8.461082 
1 1 1   19    7   17 o 26.13351 4.669709  9.932529 1.821687   9.900000 2.700000   10.00000 5.600000   28.02212 4.207290   24.24490   8.338071 3.777220 9.339417 
1 1 1   19    9    0 o 50.79536 2.081836  29.68824 1.686765   30.60000 3.100000   28.60000 3.700000   51.66204 2.620172   49.92869   3.235872 1.733356 4.163672 
1 1 1   19    9    1 o 135.0935 1.956987  209.0117 4.250292   204.9000 7.900000   213.8000 9.200000   133.6723 2.580629   136.5148   2.942712 -2.842560 3.913975 
1 1 1   19    9    2 o 120.3082 1.740193  165.7537 3.259701   164.5000 5.600000   167.5000 7.800000   119.7939 2.041235   120.8225   2.818944 -1.028618 3.480386 
1 1 1   19    9    3 o 60.36156 2.122404  41.55301 2.050602   38.70000 3.700000   45.10000 4.600000   58.06512 2.782442   62.65801   3.205686 -4.592884 4.244809 
1 1 1   19    9    4 o 133.0691 1.763519  203.3000 3.800000   201.1000 7.600000   205.5000 7.600000   132.3472 2.507486   133.7910   2.480426 -1.443832 3.527038 
1 1 1   19    9    5 o 52.86552 1.965575  32.22836 1.671642   33.90000 3.200000   30.40000 3.500000   54.32013 2.572343   51.41092   2.972709 2.909206 3.931151 
1 1 1   19    9    6 o 69.75871 1.969596  55.99101 2.224719   56.80000 4.500000   55.20000 4.400000   70.25561 2.796863   69.26182   2.773949 0.9937897 3.939193 
1 1 1   19    9    7 o 14.81903 4.338976 0.9161765 1.580882   1.100000 2.500000  0.6000000 4.300000   13.44546 5.372495   16.19260   6.814921 -2.747141 8.677952 
1 1 1   19    9    8 o 74.15659 1.897235  63.39450 2.268132   63.30000 4.300000   63.50000 4.800000   74.12548 2.533032   74.18770   2.825199 -0.6221771E-01 3.794470 
1 1 1   19    9    9 o 40.21861 2.694212  19.14706 1.647059   20.30000 2.800000   17.50000 4.000000   41.86756 2.920250   38.56967   4.528494 3.297890 5.388424 
1 1 1   19    9   10 o 19.59833 3.815844  4.583333 1.458333   7.500000 2.500000  0.5000000 3.500000   24.78914 4.572154   14.40753   6.110489 10.38161 7.631689 
1 1 1   19    9   11 o 19.83306 3.676371  4.950000 1.250000   3.000000 2.500000   6.900000 2.500000   16.12641 5.569674   23.53971   4.800161 -7.413292 7.352743 
1 1 1   19    9   12 o 53.17743 2.380343  33.47073 2.048780   32.30000 4.000000   34.70000 4.200000   52.23647 3.343689   54.11838   3.388787 -1.881905 4.760686 
1 1 1   19    9   13 f 12.22088 3.939710 -1.305797 1.724638  -1.700000 3.400000 -0.9000000 3.500000   11.82117 5.442516   12.62059   5.697745 -0.7994118 7.879421 
1 1 1   19    9   14 o 19.75477 4.316866  5.325397 1.574603   6.900000 3.100000   3.700000 3.200000   22.38841 5.945926   17.12114   6.259976 5.267269 8.633733 
1 1 1   19    9   15 o 12.05475 3.827642 -0.3365079 1.565079  0.4000000 2.900000  -1.200000 3.400000   12.32810 5.395220   11.78140   5.430927 0.5467014 7.655283 
1 1 1   19   11    0 o 37.34806 3.143539  16.33243 1.783784   16.90000 3.000000   15.50000 4.400000   38.25967 3.423889   36.43645   5.272982 1.823219 6.287079 
1 1 1   19   11    1 o 69.35481 1.870700  55.15952 2.080952   52.40000 3.800000   58.50000 4.600000   67.47386 2.459165   71.23577   2.819677 -3.761909 3.741400 
1 1 1   19   11    2 o 27.66180 4.065091  9.001315 1.867105   3.400000 3.300000   16.30000 4.300000   18.00932 6.385898   37.31428   5.031913 -19.30496 8.130181 
1 1 1   19   11    3 o 34.97154 3.829314  14.70476 2.095238   15.80000 4.000000   13.50000 4.400000   36.70108 4.759057   33.24201   6.000496 3.459072 7.658628 
1 1 1   19   11    4 o 66.55896 1.774175  51.18684 1.878947   51.50000 3.400000   50.80000 4.200000   66.84617 2.220967   66.27176   2.767327 0.5744095 3.548351 
1 1 1   19   11    5 o 15.61930 4.105441  1.041539 1.624615   4.900000 3.300000  -2.700000 3.200000   20.13939 6.379923   11.09922   5.168671 9.040168 8.210881 
1 1 1   19   11    6 o 37.07207 2.549535  16.34833 1.498333   19.20000 2.900000   13.30000 3.100000   40.57596 3.120821   33.56819   4.032492 7.007771 5.099070 
1 1 1   19   11    7 o 24.33974 4.251341  7.532836 1.656716   6.100000 3.000000   9.300000 3.700000   21.82001 5.873564   26.85947   6.147914 -5.039459 8.502682 
1 1 1   19   11    8 o 25.99976 3.462871  8.352632 1.421053   10.30000 3.000000   6.600000 2.700000   29.22525 4.482319   22.77427   5.279652 6.450975 6.925743 
1 1 1   19   11    9 o 40.96381 3.025951  20.41875 1.968750   19.50000 3.500000   21.60000 4.500000   40.19317 3.802380   41.73445   4.708229 -1.541279 6.051901 
1 1 1   19   11   10 o 22.42408 4.728311  6.726667 1.754667   4.300000 2.800000   10.80000 4.700000   17.92124 5.893836   26.92692   7.395294 -9.005682 9.456621 
1 1 1   19   11   11 o 17.14694 4.361520  3.626984 1.565079   2.200000 2.900000   5.300000 3.400000   14.74549 5.819721   19.54839   6.497867 -4.802906 8.723040 
1 1 1   19   11   12 o 10.54985 3.557469 -2.354546 1.527273  -1.700000 2.400000  -3.500000 4.200000   9.448452 4.424911   11.65126   5.571581 -2.202804 7.114939 
1 1 1   19   13    0 o 16.07425 4.310809  2.322222 1.555556   4.100000 3.500000  0.9000000 2.800000   18.69203 6.582067   13.45647   5.568544 5.235556 8.621617 
1 1 1   19   13    1 f 31.28330 4.081430  12.45000 1.980000   12.90000 3.600000   11.90000 4.400000   32.53351 4.831825   30.03309   6.579191 2.500425 8.162860 
1 1 1   19   13    2 o 14.38711 4.255092 0.1840001 1.834667   3.000000 3.200000  -3.600000 4.300000   16.46261 6.214114   12.31161   5.814466 4.150994 8.510184 
1 1 1   19   13    3 o 12.94700 4.090131 -0.6400000 1.737143  0.5000000 3.800000  -1.600000 3.200000   14.35377 6.230360   11.54024   5.300878 2.813524 8.180263 
1 1 1   19   13    4 o 20.94971 4.810435  5.672000 1.698667   3.800000 2.600000   9.200000 4.900000   17.11240 5.681937   24.78701   7.763810 -7.674603 9.620871 
1 1 1   19   13    5 o 18.21608 4.598524  3.873077 1.929487   6.700000 3.500000  0.4000000 4.300000   21.75139 6.514849   14.68077   6.491719 7.070612 9.197047 
1 1 1   19   13    6 o 20.95098 4.955554  6.285000 1.980000   6.600000 3.600000   5.900000 4.400000   21.52052 6.640676   20.38143   7.357411 1.139090 9.911108 
1 1 1   19   13    7 o 18.70977 4.661414  4.832394 1.732394   3.100000 3.000000   7.200000 4.100000   15.78962 6.003086   21.62992   7.132887 -5.840297 9.322827 
1 1 1   20    0    0 o 550.1533 8.982137  3475.800 113.1000   3475.800 113.1000   3475.800 113.1000   550.1533 8.982137   550.1533   8.982137 0.000000 0.000000 
1 1 1   20    0    1 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   20    0    2 o 151.6442 2.131764  263.5000 7.400000   263.5000 7.400000   263.5000 7.400000   151.6442 2.131764   151.6442   2.131764 0.000000 0.000000 
1 1 1   20    0    3 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   20    0    4 o 304.7389 3.669388  1064.100 25.60000   1064.100 25.60000   1064.100 25.60000   304.7389 3.669388   304.7389   3.669388 0.000000 0.000000 
1 1 1   20    0    5 o 103.3797 1.817505  122.5000 4.300000   122.5000 4.300000   122.5000 4.300000   103.3797 1.817505   103.3797   1.817505 0.000000 0.000000 
1 1 1   20    0    6 o 285.5315 3.533845  934.3000 23.10000   934.3000 23.10000   934.3000 23.10000   285.5315 3.533845   285.5315   3.533845 0.000000 0.000000 
1 1 1   20    0    7 o 177.9262 2.504344  362.8000 10.20000   362.8000 10.20000   362.8000 10.20000   177.9262 2.504344   177.9262   2.504344 0.000000 0.000000 
1 1 1   20    0    8 o 241.0894 3.297738  666.3000 18.20000   666.3000 18.20000   666.3000 18.20000   241.0894 3.297738   241.0894   3.297738 0.000000 0.000000 
1 1 1   20    0    9 o 81.86084 2.083360  76.90000 3.900000   76.90000 3.900000   76.90000 3.900000   81.86084 2.083360   81.86084   2.083360 0.000000 0.000000 
1 1 1   20    0   10 o 170.6076 2.560718  333.7000 10.00000   333.7000 10.00000   333.7000 10.00000   170.6076 2.560718   170.6076   2.560718 0.000000 0.000000 
1 1 1   20    0   11 o 86.07439 2.847950  85.20000 5.600000   85.20000 5.600000   85.20000 5.600000   86.07439 2.847950   86.07439   2.847950 0.000000 0.000000 
1 1 1   20    0   12 o 97.32768 3.328803  109.1000 7.400000   109.1000 7.400000   109.1000 7.400000   97.32768 3.328803   97.32768   3.328803 0.000000 0.000000 
1 1 1   20    0   13 o 50.32351 3.062936  29.40000 3.500000   29.40000 3.500000   29.40000 3.500000   50.32351 3.062936   50.32351   3.062936 0.000000 0.000000 
1 1 1   20    0   14 o 33.42150 4.875929  13.70000 3.500000   13.70000 3.500000   13.70000 3.500000   33.42150 4.875929   33.42150   4.875929 0.000000 0.000000 
1 1 1   20    0   15 o 58.33103 3.012678  39.50000 4.000000   39.50000 4.000000   39.50000 4.000000   58.33103 3.012678   58.33103   3.012678 0.000000 0.000000 
1 1 1   20    0   16 o 81.39469 2.257090  76.40000 4.200000   76.40000 4.200000   76.40000 4.200000   81.39469 2.257090   81.39469   2.257090 0.000000 0.000000 
1 1 1   20    0   17 o 15.71942 6.461297  4.100000 2.300000   4.100000 2.300000   4.100000 2.300000   15.71942 6.461297   15.71942   6.461297 0.000000 0.000000 
1 1 1   20    0   18 o 11.36622 6.449085  2.200000 2.600000   2.200000 2.600000   2.200000 2.600000   11.36622 6.449085   11.36622   6.449085 0.000000 0.000000 
1 1 1   20    0   19 o 14.85488 7.948438  4.300000 3.700000   4.300000 3.700000   4.300000 3.700000   14.85488 7.948438   14.85488   7.948438 0.000000 0.000000 
1 1 1   20    2    0 o 60.03229 1.151340  41.60000 1.079545   43.50000 1.900000   39.10000 2.500000   61.63326 1.346103   58.43132   1.868246 3.201942 2.302680 
1 1 1   20    2    1 o 64.08555 1.250644  47.70625 1.031250   48.80000 1.500000   45.30000 3.300000   65.28075 1.003335   62.89034   2.291235 2.390415 2.501288 
1 1 1   20    2    2 o 286.6620 2.783713  948.5626 11.99044   974.2000 19.80000   909.2000 30.40000   291.6407 2.964536   281.6832   4.712510 9.957458 5.567425 
1 1 1   20    2    3 o 335.9065 3.182447  1293.370 15.77485   1294.500 25.30000   1291.500 41.90000   336.1611 3.286341   335.6518   5.450856 0.5093079 6.364894 
1 1 1   20    2    4 o 147.7857 1.696949  250.2739 3.956522   251.1000 7.000000   249.2000 9.100000   148.0709 2.064277   147.5005   2.693939 0.5704498 3.393899 
1 1 1   20    2    5 o 178.3006 3.795934  0.000000 0.000000          ?        ?   364.3000 15.50000          ?        ?   178.3006   3.795934       ?       ? 
1 1 1   20    2    6 o 358.9590 6.155246  0.000000 0.000000          ?        ?   1478.800 50.60000          ?        ?   358.9590   6.155246       ?       ? 
1 1 1   20    2    7 o 159.1070 2.150300  287.8440 5.185780   279.5000 8.500000   300.9000 13.30000   156.1969 2.376218   162.0171   3.584516 -5.820190 4.300601 
1 1 1   20    2    8 f 102.5189 1.397323  119.8933 2.090000   118.5000 3.300000   122.3000 5.700000   101.7191 1.416612   103.3186   2.408996 -1.599449 2.794647 
1 1 1   20    2    9 o 95.60711 1.587711  105.0313 2.295833   106.1000 3.800000   103.4000 5.800000   96.23795 1.724158   94.97627   2.666568 1.261673 3.175421 
1 1 1   20    2   10 o 50.54297 2.027085  28.63385 1.486154   26.90000 2.300000   31.80000 4.200000   48.44869 2.072934   52.63725   3.484141 -4.188564 4.054170 
1 1 1   20    2   11 o 67.59457 1.416893  52.40000 1.550000   54.50000 3.100000   50.30000 3.100000   68.95116 1.963179   66.23798   2.043592 2.713173 2.833786 
1 1 1   20    2   12 o 122.4124 1.692762  172.7419 2.987597   174.6000 4.700000   169.5000 8.200000   123.4037 1.663066   121.4211   2.948897 1.982628 3.385525 
1 1 1   20    2   13 o 180.6103 2.064431  376.5153 5.655932   380.1000 9.400000   371.1000 14.20000   181.8928 2.256587   179.3278   3.457646 2.565002 4.128862 
1 1 1   20    2   14 o 31.32935 3.334941  11.88361 1.377049   12.40000 2.100000   10.90000 4.000000   32.79254 2.796301   29.86616   6.055412 2.926382 6.669881 
1 1 1   20    2   15 o 93.02008 1.753732  99.77723 2.287129   99.50000 3.500000   100.3000 6.600000   93.04839 1.642475   92.99176   3.099126 0.5663300E-01 3.507464 
1 1 1   20    2   16 o 67.58949 1.615104  52.60000 2.500000   52.60000 2.500000          ?        ?   67.58949 1.615104          ?          ?       ?       ? 
1 1 1   20    2   17 o 24.42748 3.971572  8.384507 1.647887   11.90000 2.600000   2.300000 4.500000   31.63425 3.588852   17.22071   7.086161 14.41354 7.943143 
1 1 1   20    2   18 o 11.43880 3.850411 -2.251351 1.621622  -1.700000 2.400000  -3.400000 5.000000   9.613672 4.476655   13.26392   6.265958 -3.650252 7.700823 
1 1 1   20    2   19 o 36.93694 3.019692  17.47971 1.707246   20.40000 3.100000   13.90000 3.800000   41.09463 3.293945   32.77925   5.062025 8.315380 6.039385 
1 1 1   20    4    0 o 194.4583 1.897233  432.5389 5.962343   448.7000 12.50000   417.8000 11.40000   197.9251 2.757711   190.9914   2.606338 6.933762 3.794466 
1 1 1   20    4    1 o 547.1844 4.553734  3433.249 40.34498   3353.400 79.80000   3514.900 81.60000   540.7498 6.443862   553.6190   6.436042 -12.86920 9.107469 
1 1 1   20    4    2 o 292.1324 2.515608  977.3235 11.88971   961.6000 23.10000   994.0000 24.50000   289.7155 3.481608   294.5493   3.632016 -4.833801 5.031216 
1 1 1   20    4    3 o 479.6524 4.946526  2628.487 36.21104   2579.000 60.10000   2703.500 91.10000   474.2183 5.533958   485.0865   8.200474 -10.86816 9.893051 
1 1 1   20    4    4 o 164.8355 1.649365  310.8835 4.385796   304.8000 8.300000   317.7000 9.300000   163.1297 2.221697   166.5413   2.438376 -3.411652 3.298730 
1 1 1   20    4    5 o 235.2528 2.265454  634.1510 8.612754   632.9000 16.60000   635.5000 17.90000   235.0181 3.084228   235.4874   3.319136 -0.4692841 4.530908 
1 1 1   20    4    6 o 132.0042 1.834883  193.0788 3.237086   181.5000 4.700000   218.7000 10.40000   125.8826 1.630317   138.1259   3.287743 -12.24335 3.669766 
1 1 1   20    4    7 o 197.4917 2.420367  445.9619 6.898997   443.0000 10.80000   451.2000 19.10000   196.6401 2.398233   198.3432   4.204900 -1.703094 4.840734 
1 1 1   20    4    8 o 236.4137 2.682793  636.5371 9.230577   623.2000 14.50000   659.9000 25.40000   233.1592 2.715533   239.6682   4.627677 -6.508957 5.365586 
1 1 1   20    4    9 o 139.7856 1.799928  222.5250 3.797500   217.1000 6.200000   231.1000 9.800000   137.6393 1.966930   141.9319   3.014988 -4.292648 3.599857 
1 1 1   20    4   10 o 78.13712 2.118876  71.70194 2.487379   77.90000 4.200000   62.70000 6.100000   82.41994 2.225137   73.85428   3.606566 8.565666 4.237753 
1 1 1   20    4   11 o 10.86653 3.534240 -2.178182 1.298182  -3.400000 2.100000 -0.2000000 3.400000   7.887371 3.814042   13.84568   5.951175 -5.958313 7.068480 
1 1 1   20    4   12 o 69.51521 1.819606  54.84051 1.777215   53.20000 2.700000   58.00000 5.200000   68.09554 1.731350   70.93487   3.200982 -2.839325 3.639211 
1 1 1   20    4   13 o 61.58301 2.102318  44.47500 1.875000   46.50000 3.000000   41.10000 5.000000   63.60652 2.059488   59.55949   3.665715 4.047031 4.204636 
1 1 1   20    4   14 o 25.45657 3.900088  7.901587 1.507936   8.100000 2.500000   7.600000 3.800000   26.29433 4.151619   24.61880   6.603545 1.675531 7.800177 
1 1 1   20    4   15 o 23.89451 3.819274  6.269697 1.553030   1.800000 2.500000   13.60000 4.100000   14.24505 5.464641   33.54397   5.337146 -19.29892 7.638549 
1 1 1   20    4   16 o 69.79753 1.805224  56.87284 2.009876   58.70000 3.700000   54.70000 4.400000   71.14481 2.270901   68.45026   2.806838 2.694557 3.610447 
1 1 1   20    4   17 o 18.01580 4.688694  2.984210 1.740790   0.000000 2.700000   8.400000 4.900000   11.95822 5.220308   24.07338   7.789980 -12.11517 9.377388 
1 1 1   20    4   18 o 20.43906 3.884523  5.739286 1.335714   6.800000 2.200000   4.100000 3.400000   23.10494 4.316468   17.77317   6.459580 5.331778 7.769046 
1 1 1   20    6    0 o 54.83147 1.493958  34.31321 1.313208   33.00000 2.400000   35.90000 2.900000   53.67801 1.952336   55.98492   2.261865 -2.306919 2.987917 
1 1 1   20    6    1 o 67.35561 1.421860  51.72903 1.535484   49.20000 2.800000   54.80000 3.400000   65.54206 1.865424   69.16916   2.146378 -3.627098 2.843720 
1 1 1   20    6    2 o 141.6104 1.629131  229.2114 3.687248   224.4000 6.700000   235.1000 8.200000   139.9665 2.090213   143.2544   2.499457 -3.287888 3.258263 
1 1 1   20    6    3 o 138.0504 2.270390  218.4616 5.074877   216.1000 10.20000   220.8000 10.10000   137.3064 3.243764   138.7943   3.177528 -1.487961 4.540781 
1 1 1   20    6    4 o 38.10615 2.271024  16.49636 1.298182   16.00000 2.100000   17.30000 3.400000   37.36980 2.453794   38.84249   3.822184 -1.472687 4.542048 
1 1 1   20    6    5 o 194.0960 1.932654  431.5403 6.069959   421.1000 11.80000   442.6000 12.50000   191.6828 2.688058   196.5093   2.777580 -4.826492 3.865308 
1 1 1   20    6    6 o 100.6953 1.478651  115.4552 2.348958   110.8000 4.100000   121.7000 5.500000   98.34217 1.820471   103.0485   2.330562 -4.706337 2.957302 
1 1 1   20    6    7 o 159.1041 1.717799  290.2757 4.424859   285.7000 8.900000   294.8000 8.800000   157.8542 2.461917   160.3540   2.396308 -2.499756 3.435597 
1 1 1   20    6    8 o 204.9651 2.066329  481.8007 6.820438   474.7000 12.80000   489.9000 14.60000   203.3801 2.748155   206.5502   3.086504 -3.170135 4.132658 
1 1 1   20    6    9 o 89.97722 1.553432  93.22667 2.240000   97.10000 4.200000   88.80000 4.800000   92.00406 1.993343   87.95038   2.383105 4.053680 3.106864 
1 1 1   20    6   10 o 39.62424 2.331513  17.84000 1.473333   15.50000 2.600000   20.90000 3.400000   36.68425 3.094806   42.56423   3.487979 -5.879982 4.663027 
1 1 1   20    6   11 o 41.54031 3.250598  21.38987 1.835443   24.40000 2.900000   16.20000 5.000000   46.01279 2.752068   37.06783   5.889964 8.944962 6.501196 
1 1 1   20    6   12 o 41.97505 2.097825  21.09259 1.303704   23.70000 2.200000   17.30000 3.200000   45.37569 2.117089   38.57442   3.622349 6.801270 4.195650 
1 1 1   20    6   13 o 27.04300 3.894349  6.348148 1.646914  0.3000000 2.300000   21.60000 5.800000   11.80870 4.977767   42.27731   5.990463 -30.46861 7.788697 
1 1 1   20    6   14 o 32.86232 4.205662  14.77722 1.807595   17.40000 2.800000   10.00000 5.100000   38.52697 3.173459   27.19766   7.789706 11.32930 8.411324 
1 1 1   20    6   15 o 13.63498 4.314303 -0.5871795 1.917949 -0.5000000 3.400000 -0.7000000 4.400000   12.88881 5.732269   14.38115   6.449335 -1.492335 8.628606 
1 1 1   20    6   16 o 40.53661 3.172744  18.42000 1.877647   11.70000 2.800000   32.10000 5.700000   30.87625 3.959800   50.19698   4.958347 -19.32074 6.345489 
1 1 1   20    6   17 o 18.11674 3.949181  4.358824 1.235294   3.700000 2.100000   5.300000 3.000000   16.72590 5.054691   19.50757   6.069121 -2.781672 7.898363 
1 1 1   20    8    0 o 212.2007 2.112761  516.3110 7.233103   518.5000 13.80000   513.9000 15.20000   212.6856 2.833223   211.7159   3.134945 0.9697266 4.225522 
1 1 1   20    8    1 o 30.15642 3.620907  10.63333 1.724638   11.80000 3.500000   9.500000 3.400000   32.04588 4.769090   28.26696   5.449738 3.778919 7.241813 
1 1 1   20    8    2 o 140.6568 1.669299  226.3724 3.783553   220.3000 7.100000   233.3000 8.100000   138.6475 2.236073   142.6661   2.479156 -4.018631 3.338598 
1 1 1   20    8    3 o 163.3400 1.911225  305.5287 5.025743   299.2000 9.400000   312.8000 10.80000   161.5391 2.540913   165.1408   2.855676 -3.601730 3.822450 
1 1 1   20    8    4 o 26.32961 3.553521  7.900000 1.458333   5.900000 2.500000   10.70000 3.500000   22.18999 5.034987   30.46923   5.015870 -8.279242 7.107042 
1 1 1   20    8    5 o 155.7151 1.803632  276.8945 4.514835   259.2000 8.300000   298.0000 9.900000   150.3053 2.411258   161.1250   2.682945 -10.81976 3.607265 
1 1 1   20    8    6 f 81.07368 1.637634  75.45000 2.150000   75.10000 4.300000   75.80000 4.300000   80.88518 2.321342   81.26220   2.310573 -0.3770218 3.275267 
1 1 1   20    8    7 o 21.83644 4.248102  5.740323 1.543548   5.900000 3.300000   5.600000 2.900000   22.14006 6.240249   21.53282   5.765828 0.6072369 8.496204 
1 1 1   20    8    8 o 94.45643 1.487299  102.4791 2.274725   100.6000 4.500000   104.4000 4.600000   93.58142 2.099726   95.33144   2.106985 -1.750015 2.974598 
1 1 1   20    8    9 o 52.60958 1.843791  32.04193 1.524194   33.00000 2.700000   30.80000 3.500000   53.56404 2.201051   51.65513   2.958655 1.908913 3.687582 
1 1 1   20    8   10 o 24.84837 4.334466  7.569014 1.757746   5.000000 3.200000   10.70000 3.900000   20.30260 6.260233   29.39414   5.996655 -9.091534 8.668932 
1 1 1   20    8   11 o 58.52300 2.111615  39.85875 1.998750   39.50000 4.100000   40.20000 3.900000   58.23832 3.074077   58.80768   2.895811 -0.5693626 4.223230 
1 1 1   20    8   12 o 28.57889 3.919252  10.19859 1.771831   7.900000 3.400000   12.70000 3.700000   24.77885 6.045207   32.37894   4.989751 -7.600090 7.838504 
1 1 1   20    8   13 o 14.73032 3.981817  2.200000 1.320755   2.200000 2.800000   2.200000 2.500000   14.91648 5.766995   14.54416   5.491926 0.3723202 7.963635 
1 1 1   20    8   14 o 47.91926 2.093721  27.29692 1.621538   26.20000 3.100000   28.50000 3.400000   46.95913 2.882580   48.87940   3.037336 -1.920273 4.187443 
1 1 1   20    8   15 o 18.18684 4.691076  4.004054 1.801351   1.700000 3.100000   7.200000 4.300000   14.32030 5.885756   22.05338   7.306343 -7.733073 9.382152 
1 1 1   20   10    0 o 47.90430 2.489516  25.97403 1.851948   23.80000 3.100000   29.20000 4.600000   45.49672 2.975235   50.31188   3.992335 -4.815163 4.979033 
1 1 1   20   10    1 o 74.31432 1.717716  63.65000 2.030488   61.40000 4.500000   65.50000 3.700000   73.08762 2.688490   75.54102   2.138743 -2.453407 3.435433 
1 1 1   20   10    2 o 33.25394 3.939136  13.08916 2.074699   12.20000 4.100000   14.00000 4.200000   31.83796 5.838284   34.66991   5.289764 -2.831944 7.878272 
1 1 1   20   10    3 o 100.6177 1.749824  116.3825 2.849123   109.8000 5.600000   123.2000 5.800000   97.71730 2.502397   103.5180   2.446537 -5.800713 3.499648 
1 1 1   20   10    4 o 68.17415 1.886839  53.56265 2.060241   53.70000 3.800000   53.40000 4.500000   68.30566 2.429219   68.04263   2.887827 0.2630386 3.773678 
1 1 1   20   10    5 o 27.62305 3.736676  9.614285 1.542857   11.80000 2.700000   6.700000 3.600000   31.89092 3.696889   23.35519   6.494922 8.535738 7.473352 
1 1 1   20   10    6 o 17.55935 4.356030  2.808955 1.674627  0.1000000 3.300000   5.600000 3.400000   13.74179 5.883527   21.37691   6.425272 -7.635120 8.712061 
1 1 1   20   10    7 o 55.28612 2.045107  35.50959 1.821918   34.00000 3.800000   36.90000 3.500000   54.11272 3.066366   56.45951   2.706890 -2.346794 4.090214 
1 1 1   20   10    8 o 47.04916 2.122905  25.18616 1.578462   20.70000 2.700000   31.50000 3.800000   42.18457 2.794795   51.91375   3.196251 -9.729187 4.245809 
1 1 1   20   10    9 o 20.62230 4.456600  4.795775 1.732394   1.500000 3.000000   9.300000 4.100000   14.56117 5.861524   26.68343   6.714736 -12.12226 8.913199 
1 1 1   20   10   10 o 21.83561 4.301726  6.250000 1.750000   2.600000 3.500000   9.900000 3.500000   16.22835 6.397131   27.44287   5.752921 -11.21452 8.603453 
1 1 1   20   10   11 o 30.70797 3.557286  12.34848 1.643939   18.50000 3.500000   6.900000 3.100000   38.92718 3.926041   22.48875   5.933240 16.43843 7.114572 
1 1 1   20   10   12 o 16.73820 4.111450  3.490909 1.352727   4.900000 3.100000   2.400000 2.400000   18.95510 6.199985   14.52130   5.401505 4.433796 8.222899 
1 1 1   20   10   13 o 20.46352 4.982200  6.422500 1.995000   5.900000 3.800000   7.000000 4.200000   19.78168 6.864783   21.14536   7.222466 -1.363680 9.964399 
1 1 1   20   12    0 o 42.94311 2.551705  21.49718 1.771831   20.30000 3.400000   22.80000 3.700000   41.70778 3.559603   44.17844   3.657052 -2.470654 5.103410 
1 1 1   20   12    1 o 40.25289 2.992738  19.95890 1.767123   23.00000 3.000000   15.60000 4.300000   44.46991 2.945742   36.03588   5.210424 8.434025 5.985475 
1 1 1   20   12    2 o 13.87267 4.346087 -1.039744 1.929487  -2.700000 3.500000   1.000000 4.300000   11.64838 5.418098   16.09695   6.796920 -4.448567 8.692175 
1 1 1   20   12    3 o 18.54555 3.426204  3.339622 1.301887  -1.000000 2.300000   9.000000 3.000000   10.22878 4.618300   26.86232   5.062292 -16.63354 6.852407 
1 1 1   20   12    4 o 27.88411 4.299090  9.968421 1.894737   12.60000 4.000000   7.600000 3.600000   31.58393 5.741605   24.18429   6.400208 7.399643 8.598180 
1 1 1   20   12    5 o 13.34972 3.722453 0.7672728 1.338182   2.900000 2.300000  -2.200000 3.200000   15.55218 5.343902   11.14725   5.183566 4.404938 7.444907 
1 1 1   20   12    6 o 10.14054 3.446886 -3.959091 1.625758  -3.300000 2.900000  -4.800000 3.700000   9.727332 4.645479   10.55376   5.093488 -0.8264256 6.893772 
1 1 1   20   12    7 o 20.28194 4.741517  5.750000 1.850000   4.300000 3.700000   7.200000 3.700000   18.15325 6.715763   22.41062   6.695257 -4.257364 9.483034 
1 1 1   20   12    8 o 21.17661 4.415241  5.463158 1.867105   11.80000 4.300000  0.6000000 3.300000   28.89474 6.637777   13.45848   5.823859 15.43626 8.830482 
1 1 1   20   12    9 o 12.89962 4.033460 0.1835821 1.671642 -0.6000000 3.500000  0.9000000 3.200000   12.45627 5.653462   13.34297   5.754439 -0.8867016 8.066920 
1 1 1   20   14    0 o 20.55147 3.977223  5.832787 1.475410   7.800000 2.500000   3.000000 3.600000   24.63460 4.600517   16.46833   6.489102 8.166267 7.954445 
1 1 1   20   14    1 o 15.26337 4.449277 0.7999998 1.998750   4.700000 3.900000  -3.300000 4.100000   18.67122 6.897365   11.85552   5.622333 6.815696 8.898555 
1 1 1   20   14    2 o 21.04346 5.304728  6.761702 2.323404   7.700000 4.200000   5.600000 5.200000   22.40676 7.208101   19.68017   7.784845 2.726589 10.60946 
1 1 1   20   14    3 o 16.22665 3.802828  1.700000 1.600000   7.600000 3.200000  -4.200000 3.200000   22.88963 6.022990   9.563678   4.644308 13.32595 7.605656 
1 1 1   21    1    0 o 359.0080 3.010096  1476.749 17.49771   1503.400 35.40000   1450.700 34.60000   362.2099 4.267591   355.8061   4.246219 6.403748 6.020191 
1 1 1   21    1    1 f 130.8555 1.394205  196.1356 2.942373   196.8000 5.600000   195.4000 6.200000   131.0900 1.865340   130.6209   2.072615 0.4690704 2.788409 
1 1 1   21    1    2 f 614.7371 9.994116  0.000000 0.000000          ?        ?   4343.100 140.7000          ?        ?   614.7371   9.994116       ?       ? 
1 1 1   21    1    3 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   21    1    4 o 107.6434 1.219065  132.6882 2.124706   133.7000 4.300000   131.7000 4.200000   108.0489 1.737752   107.2380   1.710174 0.8109512 2.438130 
1 1 1   21    1    5 o 266.8981 2.354479  815.9622 10.16757   825.0000 20.90000   807.4000 19.80000   268.3335 3.401035   265.4627   3.256876 2.870728 4.708958 
1 1 1   21    1    6 o 293.3935 2.588762  986.3475 12.29675   962.0000 24.20000   1011.500 25.00000   289.7145 3.647413   297.0726   3.674660 -7.358093 5.177523 
1 1 1   21    1    7 o 175.2598 1.816161  351.9869 5.142233   352.9000 9.900000   351.0000 10.70000   175.5010 2.463175   175.0187   2.669556 0.4822998 3.632322 
1 1 1   21    1    8 o 165.0040 2.289994  310.4067 5.546218   305.6000 8.800000   318.6000 15.00000   163.3237 2.352736   166.6842   3.929493 -3.360535 4.579987 
1 1 1   21    1    9 o 248.7460 2.995116  714.0949 11.31592   728.3000 18.90000   692.9000 28.20000   251.9849 3.275118   245.5070   5.015623 6.477844 5.990231 
1 1 1   21    1   10 o 131.8029 1.675071  199.1678 3.574825   203.8000 7.200000   194.6000 7.100000   133.3257 2.358079   130.2801   2.379688 3.045578 3.350142 
1 1 1   21    1   11 o 43.21162 2.073964  21.41207 1.443103   22.00000 3.100000   20.90000 2.700000   43.75832 3.093433   42.66491   2.763329 1.093410 4.147929 
1 1 1   21    1   12 o 135.9305 1.568384  211.9036 3.438406   207.9000 6.500000   216.4000 7.300000   134.5858 2.108890   137.2751   2.322045 -2.689346 3.136768 
1 1 1   21    1   13 o 106.4659 1.349585  130.0505 2.318280   128.3000 4.400000   132.0000 4.900000   105.7226 1.817292   107.2092   1.995739 -1.486664 2.699171 
1 1 1   21    1   14 o 63.94950 1.455146  47.20667 1.498333   43.90000 3.100000   50.30000 2.900000   61.75463 2.191956   66.14437   1.914454 -4.389736 2.910293 
1 1 1   21    1   15 o 17.02914 3.772437  2.316394 1.504918   6.300000 2.700000  -2.700000 3.400000   22.53679 5.317236   11.52150   5.352767 11.01529 7.544874 
1 1 1   21    1   16 o 12.32180 3.735459 -0.7711864 1.464407   1.700000 2.700000  -3.700000 3.200000   14.32915 5.628150   10.31445   4.913098 4.014701 7.470917 
1 1 1   21    1   17 o 26.86238 3.663793  9.028571 1.542857   12.40000 3.600000   6.500000 2.700000   31.46591 4.995764   22.25884   5.360585 9.207069 7.327587 
1 1 1   21    1   18 o 41.41750 2.439755  20.49846 1.606154   15.10000 2.900000   27.20000 3.600000   35.28069 3.589225   47.55432   3.305615 -12.27363 4.879510 
1 1 1   21    1   19 o 34.03181 2.716303  14.53898 1.474576   12.20000 3.000000   16.80000 2.900000   31.03137 4.221435   37.03226   3.419459 -6.000898 5.432606 
1 1 1   21    3    0 o 275.3012 2.932342  861.5316 12.43172   905.7000 30.90000   831.8000 20.80000   281.1316 4.799417   269.4708   3.370476 11.66080 5.864684 
1 1 1   21    3    1 o 414.0552 4.858058  1966.181 32.56654   2005.200 66.20000   1928.400 64.10000   418.0929 6.913928   410.0175   6.826458 8.075470 9.716117 
1 1 1   21    3    2 o 550.7480 8.816405  3484.000 111.2000   3484.000 111.2000          ?        ?   550.7480 8.816405          ?          ?       ?       ? 
1 1 1   21    3    3 o 205.7213 2.271303  487.6254 6.765635   495.2000 10.70000   474.6000 18.40000   207.9325 2.246990   203.5101   3.947950 4.422455 4.542606 
1 1 1   21    3    4 o 110.6551 1.662290  138.4823 2.899160   127.6000 5.000000   153.5000 6.900000   105.5502 2.068476   115.7599   2.602738 -10.20971 3.324581 
1 1 1   21    3    5 o 215.7221 2.315329  535.0524 7.497143   541.3000 12.30000   525.3000 19.20000   217.3753 2.470783   214.0689   3.916404 3.306458 4.630657 
1 1 1   21    3    6 o 107.7479 1.584570  133.9587 2.686239   140.3000 4.800000   125.9000 6.100000   110.6719 1.893841   104.8239   2.541026 5.847984 3.169140 
1 1 1   21    3    7 o 109.9756 1.437272  139.6080 2.419000   144.2000 4.100000   133.0000 5.900000   112.2062 1.595536   107.7450   2.391082 4.461189 2.874545 
1 1 1   21    3    8 o 48.25572 2.066966  26.62857 1.485714   26.40000 2.400000   27.00000 3.900000   47.99856 2.183347   48.51287   3.510325 -0.5143127 4.133931 
1 1 1   21    3    9 o 177.0096 2.052727  359.9843 5.499565   362.2000 9.100000   356.6000 13.90000   177.7612 2.235343   176.2580   3.443544 1.503204 4.105454 
1 1 1   21    3   10 o 85.29881 1.761174  84.50435 2.086957   86.80000 3.200000   80.20000 6.000000   87.03146 1.605511   83.56617   3.135165 3.465294 3.522347 
1 1 1   21    3   11 o 58.48800 2.041013  38.88816 1.793421   37.40000 2.900000   41.30000 4.700000   57.08459 2.218292   59.89140   3.426676 -2.806812 4.082025 
1 1 1   21    3   12 o 164.3765 2.017703  303.2880 4.611058   287.0000 6.900000   336.1000 13.90000   158.1297 1.905353   170.6233   3.557265 -12.49361 4.035406 
1 1 1   21    3   13 o 84.67731 2.011117  82.40000 3.900000   82.40000 3.900000          ?        ?   84.67731 2.011117          ?          ?       ?       ? 
1 1 1   21    3   14 o 59.17323 2.248276  43.03671 1.883544   50.10000 3.100000   32.10000 4.800000   65.95982 2.052211   52.38663   4.000926 13.57318 4.496552 
1 1 1   21    3   15 o 60.40035 2.100211  43.28077 1.821795   45.40000 2.900000   39.70000 4.900000   62.70932 2.019322   58.09138   3.683190 4.617943 4.200423 
1 1 1   21    3   16 o 18.45779 4.350610  4.001639 1.406557   3.100000 2.200000   5.600000 3.900000   16.01033 5.222344   20.90525   6.959766 -4.894924 8.701220 
1 1 1   21    3   17 o 12.61795 3.646789 -0.3461538 1.230769  -3.000000 2.000000   3.900000 3.200000   7.649001 3.704414   17.58689   6.282802 -9.937892 7.293578 
1 1 1   21    3   18 o 16.40384 4.269231  3.100000 1.560000   4.300000 2.600000   1.300000 3.900000   17.89452 5.662364   14.91316   6.390850 2.981354 8.538462 
1 1 1   21    5    0 o 336.2910 3.441560  1295.522 17.91204   1302.100 43.40000   1290.900 30.50000   336.9512 5.624222   335.6308   3.968055 1.320343 6.883120 
1 1 1   21    5    1 o 252.5826 2.286163  730.2949 9.332888   713.4000 17.90000   748.7000 19.50000   249.5374 3.132255   255.6277   3.330937 -6.090286 4.572326 
1 1 1   21    5    2 o 214.9634 2.048733  529.5004 7.114386   532.0000 13.70000   526.8000 14.80000   215.4957 2.776014   214.4310   3.013796 1.064743 4.097465 
1 1 1   21    5    3 o 286.1528 2.598136  938.4493 11.99252   935.7000 22.80000   941.5000 25.30000   285.7258 3.484377   286.5799   3.854913 -0.8540955 5.196271 
1 1 1   21    5    4 f 116.1496 1.487128  154.7198 2.736937   156.0000 4.900000   153.1000 6.200000   116.7007 1.833421   115.5986   2.341957 1.102158 2.974256 
1 1 1   21    5    5 o 310.5005 2.903943  1104.588 14.57106   1077.500 27.90000   1134.200 30.50000   306.5350 3.974329   314.4661   4.235120 -7.931061 5.807886 
1 1 1   21    5    6 o 220.1587 2.555431  556.1934 8.782222   555.5000 20.80000   556.7000 15.20000   219.9742 4.128871   220.3433   3.012198 -0.3691254 5.110863 
1 1 1   21    5    7 o 208.1303 2.503059  497.7188 8.272836   492.0000 18.60000   502.3000 14.90000   206.9988 3.923600   209.2617   3.109111 -2.262878 5.006117 
1 1 1   21    5    8 o 60.67314 2.018340  40.85974 1.688312   38.10000 2.500000   46.60000 5.200000   57.65641 1.893355   63.68988   3.565107 -6.033466 4.036680 
1 1 1   21    5    9 o 36.13396 2.649212  14.95807 1.535484   14.10000 2.800000   16.00000 3.400000   35.00557 3.492694   37.26234   3.984268 -2.256763 5.298424 
1 1 1   21    5   10 o 15.97493 4.245265  1.666667 1.533333   3.400000 2.300000  -1.800000 4.600000   17.12965 5.311595   14.82022   6.623901 2.309432 8.490530 
1 1 1   21    5   11 o 32.80085 2.712271  12.41250 1.312500   12.30000 2.100000   12.60000 3.500000   32.68269 2.805700   32.91901   4.642597 -0.2363281 5.424542 
1 1 1   21    5   12 o 36.82618 2.426228  15.40345 1.406897   13.50000 2.400000   18.10000 3.400000   34.17466 3.066527   39.47770   3.760683 -5.303047 4.852456 
1 1 1   21    5   13 o 28.01600 3.755663  8.946154 1.384615   7.900000 2.000000   11.30000 4.500000   26.06601 3.350388   29.96598   6.722717 -3.899971 7.511326 
1 1 1   21    5   14 o 31.36935 3.184020  11.47692 1.578462   9.400000 2.700000   14.40000 3.800000   28.12368 4.192097   34.61503   4.793564 -6.491354 6.368041 
1 1 1   21    5   15 o 15.02947 3.766861  2.205769 1.251923   3.700000 2.100000   0.000000 3.100000   17.15418 5.023507   12.90477   5.614388 4.249412 7.533723 
1 1 1   21    5   16 o 34.60198 3.302638  13.94247 1.575342   11.80000 2.300000   18.60000 5.000000   31.44110 3.194257   37.76287   5.781556 -6.321768 6.605276 
1 1 1   21    5   17 o 15.78020 5.841305  3.000000 2.800000   3.000000 2.800000          ?        ?   15.78020 5.841305          ?          ?       ?       ? 
1 1 1   21    7    0 o 145.6040 1.654202  242.8333 3.897436   245.5000 8.000000   240.3000 7.600000   146.3817 2.386399   144.8263   2.291426 1.555359 3.308403 
1 1 1   21    7    1 o 244.3815 2.432113  684.0429 9.617143   646.4000 18.70000   723.9000 19.80000   237.4653 3.438596   251.2977   3.440459 -13.83241 4.864226 
1 1 1   21    7    2 o 34.09366 2.520977  12.75000 1.312500   10.50000 2.100000   16.50000 3.500000   30.26474 3.029856   37.92258   4.030045 -7.657837 5.041953 
1 1 1   21    7    3 o 69.27179 1.560495  54.90857 1.744286   53.40000 3.300000   56.60000 3.700000   68.26620 2.110804   70.27737   2.298931 -2.011162 3.120990 
1 1 1   21    7    4 o 133.3648 1.667066  203.6958 3.593750   199.0000 6.900000   208.8000 7.500000   131.7662 2.286572   134.9635   2.426524 -3.197372 3.334131 
1 1 1   21    7    5 o 151.6994 1.915243  263.7064 4.680851   259.4000 8.800000   268.6000 10.00000   150.3925 2.555032   153.0062   2.853846 -2.613770 3.830486 
1 1 1   21    7    6 o 78.91479 1.743946  71.45281 2.217978   71.50000 4.200000   71.40000 4.700000   78.95117 2.322899   78.87843   2.601832 0.7274628E-01 3.487892 
1 1 1   21    7    7 o 140.9843 1.784807  227.8613 4.062577   219.5000 7.700000   237.2000 8.600000   138.2660 2.431728   143.7026   2.613205 -5.436630 3.569614 
1 1 1   21    7    8 o 56.96439 1.758462  36.88769 1.606154   31.40000 2.900000   43.70000 3.600000   52.27321 2.422471   61.65556   2.549587 -9.382351 3.516925 
1 1 1   21    7    9 o 38.36951 2.704440  17.26364 1.636364   18.90000 3.000000   15.30000 3.600000   40.45741 3.237896   36.28162   4.332669 4.175793 5.408880 
1 1 1   21    7   10 o 16.38935 3.758361  2.308929 1.383929   5.300000 2.500000  -1.400000 3.100000   20.82051 5.245507   11.95820   5.383842 8.862303 7.516721 
1 1 1   21    7   11 o 77.58427 1.898129  69.56210 2.353684   70.00000 5.200000   69.20000 4.300000   77.73810 2.920849   77.43044   2.424915 0.3076630 3.796257 
1 1 1   21    7   12 o 76.29488 2.038359  68.64433 2.311340   63.90000 5.900000   71.70000 3.800000   73.80811 3.490499   78.78165   2.106193 -4.973541 4.076719 
1 1 1   21    7   13 o 27.69973 4.078670  10.83750 1.687500   14.40000 2.700000   4.900000 4.500000   34.99394 3.369075   20.40552   7.429100 14.58842 8.157339 
1 1 1   21    7   14 o 23.95272 4.158701  7.878261 1.594203   9.400000 2.500000   5.200000 4.400000   27.87636 3.916009   20.02908   7.337850 7.847279 8.317402 
1 1 1   21    7   15 o 21.49461 4.801107  6.465333 1.834667   5.100000 3.200000   8.300000 4.300000   19.26880 6.299026   23.72043   7.247399 -4.451632 9.602214 
1 1 1   21    7   16 o 14.58000 4.526979  1.240000 1.820000  0.4000000 2.800000   2.800000 5.200000   12.19354 5.319757   16.96646   7.326277 -4.772923 9.053958 
1 1 1   21    9    0 o 76.27818 1.782617  66.63750 2.189773   68.40000 4.700000   65.10000 4.100000   77.21372 2.657927   75.34264   2.376199 1.871078 3.565234 
1 1 1   21    9    1 f 47.22578 2.675703  26.06500 1.980000   28.90000 3.600000   22.60000 4.400000   50.15908 3.133954   44.29250   4.337728 5.866581 5.351406 
1 1 1   21    9    2 o 93.30847 1.739795  99.86666 2.613333   98.70000 4.900000   101.2000 5.600000   92.73913 2.307134   93.87781   2.604742 -1.138680 3.479590 
1 1 1   21    9    3 o 132.7394 1.733186  201.7671 3.704698   193.2000 6.900000   211.7000 8.000000   129.7249 2.322551   135.7538   2.573225 -6.028870 3.466371 
1 1 1   21    9    4 o 196.9320 2.243380  445.8325 7.115035   432.3000 13.30000   461.4000 15.30000   193.7878 2.996849   200.0763   3.339147 -6.288467 4.486759 
1 1 1   21    9    5 o 61.54876 1.831231  43.21233 1.797260   40.10000 3.200000   47.20000 4.100000   59.06493 2.365702   64.03259   2.795906 -4.967659 3.662463 
1 1 1   21    9    6 o 87.99469 1.670261  89.04105 2.362105   88.30000 4.400000   89.90000 5.100000   87.62936 2.192516   88.36001   2.520311 -0.7306442 3.340523 
1 1 1   21    9    7 o 28.70516 3.005375  9.922642 1.313208   8.500000 2.900000   11.10000 2.400000   26.47718 4.965022   30.93313   3.387873 -4.455952 6.010751 
1 1 1   21    9    8 o 45.94953 2.219665  24.53385 1.578462   24.70000 2.700000   24.30000 3.800000   46.24046 2.549655   45.65860   3.634132 0.5818558 4.439331 
1 1 1   21    9    9 o 11.24177 3.542391 -1.636842 1.403509  0.6000000 2.500000  -4.500000 3.200000   12.57250 5.237070   9.911035   4.771502 2.661464 7.084782 
1 1 1   21    9   10 o 22.40231 3.957060  6.489830 1.454237   4.700000 3.300000   7.900000 2.600000   19.50205 6.397732   25.30257   4.658576 -5.800520 7.914120 
1 1 1   21    9   11 o 45.23027 2.253490  24.24545 1.648485   24.40000 3.400000   24.10000 3.200000   45.32689 3.275388   45.13365   3.095917 0.1932411 4.506979 
1 1 1   21    9   12 o 63.13430 2.037727  47.29157 2.072289   40.40000 4.000000   54.70000 4.300000   58.27091 2.997422   67.99770   2.761302 -9.726788 4.075455 
1 1 1   21    9   13 o 13.17837 4.179812 -1.426582 1.972152   1.700000 3.800000  -4.800000 4.100000   15.22526 6.407062   11.13147   5.369625 4.093794 8.359624 
1 1 1   21    9   14 o 14.27978 4.121782  1.981967 1.521312   2.600000 2.900000   1.300000 3.200000   14.90231 5.839054   13.65725   5.819089 1.245054 8.243565 
1 1 1   21   11    0 o 20.53570 4.554289  4.870833 1.731945   2.900000 4.300000   6.200000 2.900000   18.55793 7.154547   22.51347   5.637257 -3.955540 9.108579 
1 1 1   21   11    1 o 96.34023 1.714045  106.7495 2.669159   114.6000 5.600000   99.60000 5.100000   99.71034 2.452379   92.97012   2.395336 6.740219 3.428089 
1 1 1   21   11    2 o 46.59576 2.161246  25.20461 1.624615   28.20000 3.300000   22.30000 3.200000   49.35156 2.919798   43.83997   3.187274 5.511585 4.322492 
1 1 1   21   11    3 o 44.69081 1.904375  23.11636 1.370909   23.40000 2.600000   22.80000 2.900000   45.00824 2.522441   44.37337   2.853746 0.6348686 3.808749 
1 1 1   21   11    4 o 19.63635 4.770339  4.212821 1.948718   6.600000 3.800000   1.700000 4.000000   22.82188 6.777647   16.45081   6.714760 6.371069 9.540677 
1 1 1   21   11    5 o 12.02806 3.908602 -1.718182 1.527273  -2.700000 2.400000   0.000000 4.200000   9.067540 4.300584   14.98859   6.527912 -5.921048 7.817203 
1 1 1   21   11    6 o 20.26110 4.493394  5.127273 1.612121   5.300000 3.800000   5.000000 2.800000   20.62869 6.870067   19.89351   5.793492 0.7351780 8.986789 
1 1 1   21   11    7 o 21.73789 4.667426  5.940506 1.967089   2.100000 3.700000   10.30000 4.200000   15.94999 6.478229   27.52580   6.721013 -11.57581 9.334851 
1 1 1   21   11    8 f 43.53497 2.216625  22.60000 1.550000   19.40000 3.100000   25.80000 3.100000   40.32537 3.356781   46.74457   2.895811 -6.419205 4.433249 
1 1 1   21   11    9 o 28.94695 3.393942  10.94000 1.493333   12.90000 2.800000   8.700000 3.200000   32.51831 3.759843   25.37558   5.651456 7.142733 6.787885 
1 1 1   21   11   10 o 23.96529 4.742514  8.257143 1.870130   7.800000 3.200000   8.900000 4.500000   23.71344 5.912791   24.21715   7.416512 -0.5037060 9.485027 
1 1 1   21   13    0 o 35.84529 2.536243  15.15862 1.422414   22.10000 3.300000   9.900000 2.500000   43.04750 3.347385   28.64308   3.811185 14.40443 5.072486 
1 1 1   21   13    1 o 21.08469 4.166492  5.566667 1.794444  0.5000000 3.800000   10.10000 3.400000   14.35734 6.231133   27.81205   5.532774 -13.45471 8.332983 
1 1 1   21   13    2 o 15.23053 4.381672  1.857143 1.737143   3.000000 3.200000  0.5000000 3.800000   16.25141 6.194848   14.20966   6.198390 2.041756 8.763344 
1 1 1   21   13    3 o 21.42747 4.228814  6.340000 1.624615   3.700000 3.300000   8.900000 3.200000   17.14957 6.342782   25.70537   5.594691 -8.555807 8.457627 
1 1 1   21   13    4 o 15.07268 4.114532 -0.5727277 1.909091   5.700000 3.500000  -8.100000 4.200000   20.18451 6.587159   9.960852   4.932222 10.22366 8.229063 
1 1 1   21   13    5 o 16.50621 4.668524  2.984615 1.887179   2.100000 4.600000   3.600000 3.200000   16.22831 6.947216   16.78410   6.238323 -0.5557919 9.337049 
1 1 1   21   13    6 o 27.41090 3.980089  10.35714 1.885714   3.200000 3.300000   19.90000 4.400000   15.97541 6.237220   38.84639   4.945860 -22.87097 7.960178 
1 1 1   22    0    0 o 321.8412 3.840819  1186.900 28.30000   1186.900 28.30000   1186.900 28.30000   321.8412 3.840819   321.8412   3.840819 0.000000 0.000000 
1 1 1   22    0    1 o 271.6561 3.408869  845.6000 21.20000   845.6000 21.20000   845.6000 21.20000   271.6561 3.408869   271.6561   3.408869 0.000000 0.000000 
1 1 1   22    0    2 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   22    0    3 o 120.4324 1.777483  166.2000 4.900000   166.2000 4.900000   166.2000 4.900000   120.4324 1.777483   120.4324   1.777483 0.000000 0.000000 
1 1 1   22    0    4 o 359.5021 4.191702  1481.200 34.50000   1481.200 34.50000   1481.200 34.50000   359.5021 4.191702   359.5021   4.191702 0.000000 0.000000 
1 1 1   22    0    5 o 9.166390 4.765634  1.400000 1.300000   1.400000 1.300000   1.400000 1.300000   9.166390 4.765634   9.166390   4.765634 0.000000 0.000000 
1 1 1   22    0    6 o 148.5820 3.000361  253.2000 10.20000   253.2000 10.20000   253.2000 10.20000   148.5820 3.000361   148.5820   3.000361 0.000000 0.000000 
1 1 1   22    0    7 o 24.45585 4.817526  7.600000 2.400000   7.600000 2.400000   7.600000 2.400000   24.45585 4.817526   24.45585   4.817526 0.000000 0.000000 
1 1 1   22    0    8 o 114.1065 2.144684  149.3000 5.600000   149.3000 5.600000   149.3000 5.600000   114.1065 2.144684   114.1065   2.144684 0.000000 0.000000 
1 1 1   22    0    9 o 107.4480 2.074325  132.4000 5.100000   132.4000 5.100000   132.4000 5.100000   107.4480 2.074325   107.4480   2.074325 0.000000 0.000000 
1 1 1   22    0   10 o 51.53497 2.212255  30.60000 2.600000   30.60000 2.600000   30.60000 2.600000   51.53497 2.212255   51.53497   2.212255 0.000000 0.000000 
1 1 1   22    0   11 o 137.1098 2.294446  215.7000 7.200000   215.7000 7.200000   215.7000 7.200000   137.1098 2.294446   137.1098   2.294446 0.000000 0.000000 
1 1 1   22    0   12 o 103.8251 1.893983  123.7000 4.500000   123.7000 4.500000   123.7000 4.500000   103.8251 1.893983   103.8251   1.893983 0.000000 0.000000 
1 1 1   22    0   13 o 10.54712 6.516429  1.000000 3.100000   1.000000 3.100000   1.000000 3.100000   10.54712 6.516429   10.54712   6.516429 0.000000 0.000000 
1 1 1   22    0   14 o 58.06428 2.873739  39.10000 3.800000   39.10000 3.800000   39.10000 3.800000   58.06428 2.873739   58.06428   2.873739 0.000000 0.000000 
1 1 1   22    0   15 o 49.98068 3.354552  29.30000 3.800000   29.30000 3.800000   29.30000 3.800000   49.98068 3.354552   49.98068   3.354552 0.000000 0.000000 
1 1 1   22    0   16 o 6.586537 4.520322 -1.400000 2.200000  -1.400000 2.200000  -1.400000 2.200000   6.586537 4.520322   6.586537   4.520322 0.000000 0.000000 
1 1 1   22    0   17 o 10.78958 6.371154  1.800000 2.700000   1.800000 2.700000   1.800000 2.700000   10.78958 6.371154   10.78958   6.371154 0.000000 0.000000 
1 1 1   22    0   18 o 16.14926 6.431649  4.400000 2.300000   4.400000 2.300000   4.400000 2.300000   16.14926 6.431649   16.14926   6.431649 0.000000 0.000000 
1 1 1   22    2    0 o 233.3437 2.317322  629.3372 8.060177   648.3000 13.20000   599.6000 20.70000   237.9185 2.422621   228.7688   3.951056 9.149643 4.634645 
1 1 1   22    2    1 f 130.9958 1.634614  197.0839 3.359124   200.4000 5.900000   192.7000 7.800000   132.2827 1.947550   129.7090   2.625815 2.573715 3.269229 
1 1 1   22    2    2 o 392.9965 3.791722  1777.653 21.64957   1797.200 34.30000   1744.200 58.70000   396.0545 3.781629   389.9386   6.573272 6.115906 7.583444 
1 1 1   22    2    3 f 172.7245 1.829173  344.8985 4.783919   357.2000 8.000000   326.6000 11.90000   176.6031 1.978023   168.8459   3.077486 7.757156 3.658346 
1 1 1   22    2    4 o 228.0317 2.355318  595.6000 12.30000   595.6000 12.30000          ?        ?   228.0317 2.355318          ?          ?       ?       ? 
1 1 1   22    2    5 o 108.7729 1.445179  135.5000 3.600000   135.5000 3.600000          ?        ?   108.7729 1.445179          ?          ?       ?       ? 
1 1 1   22    2    6 o 200.8046 2.876719  462.7316 9.276139   459.3000 20.00000   465.7000 17.30000   200.0844 4.364720   201.5247   3.748500 -1.440277 5.753437 
1 1 1   22    2    7 o 131.6549 1.800719  198.8146 3.654305   199.8000 6.200000   197.4000 8.900000   132.0671 2.049919   131.2426   2.961112 0.8244629 3.601437 
1 1 1   22    2    8 o 214.7209 2.444722  526.9774 7.455657   522.3000 11.50000   535.6000 21.20000   213.4793 2.352240   215.9624   4.286446 -2.483093 4.889443 
1 1 1   22    2    9 o 135.9072 2.003304  213.0402 3.898225   216.0000 6.100000   207.8000 10.80000   137.2868 1.940174   134.5276   3.505516 2.759216 4.006609 
1 1 1   22    2   10 o 100.2780 1.860709  113.8868 2.425439   111.4000 3.500000   119.5000 7.900000   98.59444 1.550084   101.9615   3.383223 -3.367065 3.721419 
1 1 1   22    2   11 o 54.00970 1.699023  33.51186 1.454237   33.60000 2.600000   33.40000 3.300000   54.10905 2.098182   53.91036   2.672892 0.1986847 3.398046 
1 1 1   22    2   12 o 118.6091 2.008970  163.1701 3.360544   166.0000 5.200000   158.0000 9.500000   120.2562 1.888145   116.9620   3.546653 3.294281 4.017940 
1 1 1   22    2   13 o 43.56931 2.841783  21.78974 1.794872   21.00000 2.800000   23.20000 5.000000   42.65214 2.866533   44.48648   4.907741 -1.834339 5.683567 
1 1 1   22    2   14 o 64.04793 1.897515  46.54615 1.846154   43.20000 3.000000   51.90000 4.800000   61.22768 2.139504   66.86819   3.134450 -5.640511 3.795031 
1 1 1   22    2   15 o 14.24015 4.292426 0.2942028 1.620290  -1.100000 2.600000   2.600000 4.300000   10.87653 4.910557   17.60377   7.041739 -6.727240 8.584851 
1 1 1   22    2   16 o 22.63972 4.498154  6.787500 1.631944   7.100000 2.500000   6.200000 4.700000   23.68310 4.774239   21.59635   7.624971 2.086756 8.996307 
1 1 1   22    2   17 o 16.14219 4.750395  1.853012 2.007229 -0.4000000 3.400000   5.100000 4.900000   12.69768 5.683583   19.58671   7.613270 -6.889032 9.500790 
1 1 1   22    2   18 o 51.83297 2.145206  32.45211 1.757746   34.30000 3.200000   30.20000 3.900000   53.79715 2.597349   49.86879   3.414881 3.928368 4.290412 
1 1 1   22    4    0 o 439.3594 3.640387  2212.618 25.89035   2190.700 50.80000   2235.400 52.80000   437.1482 5.074284   441.5707   5.221236 -4.422546 7.280774 
1 1 1   22    4    1 f 332.3990 2.871905  1266.000 15.42670   1259.800 29.70000   1272.700 32.10000   331.5626 3.911386   333.2354   4.206236 -1.672791 5.743811 
1 1 1   22    4    2 o 144.1653 2.012198  238.6283 4.423913   235.4000 11.00000   240.8000 7.400000   143.3354 3.351035   144.9952   2.228527 -1.659790 4.024397 
1 1 1   22    4    3 o 149.9505 1.564782  257.4237 3.797369   264.3000 7.800000   250.9000 7.400000   151.9002 2.242208   148.0008   2.183270 3.899429 3.129563 
1 1 1   22    4    4 o 300.5570 3.218874  1043.043 15.30436   1093.700 27.70000   980.5000 34.20000   308.8381 3.916414   292.2759   5.109434 16.56219 6.437749 
1 1 1   22    4    5 o 174.0106 2.055624  349.1640 5.587719   361.5000 9.800000   332.8000 13.00000   177.6307 2.409061   170.3904   3.331485 7.240265 4.111248 
1 1 1   22    4    6 o 165.8750 1.989744  312.8029 4.975714   303.7000 8.100000   327.3000 12.90000   162.8068 2.172462   168.9432   3.334177 -6.136383 3.979488 
1 1 1   22    4    7 o 45.29432 2.283753  22.23284 1.510448   18.80000 2.300000   28.80000 4.400000   40.49875 2.479853   50.08988   3.835680 -9.591133 4.567506 
1 1 1   22    4    8 o 260.1492 2.752279  781.7751 10.75344   796.1000 17.70000   759.6000 27.40000   263.4040 2.934206   256.8944   4.657315 6.509552 5.504557 
1 1 1   22    4    9 o 136.3665 1.857206  213.2000 5.800000   213.2000 5.800000          ?        ?   136.3665 1.857206          ?          ?       ?       ? 
1 1 1   22    4   10 o 53.29021 2.212361  32.60000 2.700000   32.60000 2.700000          ?        ?   53.29021 2.212361          ?          ?       ?       ? 
1 1 1   22    4   11 o 103.8536 1.877675  123.7636 2.742149   123.0000 4.200000   125.2000 7.900000   103.5315 1.771400   104.1757   3.311314 -0.6442413 3.755350 
1 1 1   22    4   12 o 73.46761 1.839661  62.33012 1.855422   62.60000 2.800000   61.80000 5.500000   73.84299 1.655726   73.09223   3.285725 0.7507553 3.679323 
1 1 1   22    4   13 o 11.72842 3.604313 -1.380645 1.354839   1.200000 2.000000  -6.800000 4.200000   12.49680 4.862139   10.96004   5.322020 1.536762 7.208626 
1 1 1   22    4   14 o 40.43673 2.480129  19.66613 1.491935   21.40000 2.500000   17.10000 3.700000   42.94167 2.542148   37.93178   4.259300 5.009892 4.960257 
1 1 1   22    4   15 o 25.54751 4.085854  8.785074 1.477612   10.00000 2.200000   6.300000 4.500000   29.11769 3.299176   21.97734   7.476111 7.140350 8.171707 
1 1 1   22    4   16 o 48.11084 2.762544  28.79506 1.913580   30.90000 3.100000   25.40000 5.000000   51.22609 2.642471   44.99560   4.852211 6.230492 5.525088 
1 1 1   22    4   17 o 17.52154 4.371786  3.966667 1.574603   2.900000 3.200000   5.000000 3.100000   15.96519 6.167207   19.07789   6.198034 -3.112692 8.743572 
1 1 1   22    6    0 o 297.8848 2.758743  1017.564 13.29079   1009.200 27.30000   1025.500 25.90000   296.6805 4.018031   299.0892   3.781279 -2.408661 5.517486 
1 1 1   22    6    1 o 33.54829 2.498477  12.95000 1.350000   11.40000 2.700000   14.50000 2.700000   31.53085 3.739106   35.56574   3.314909 -4.034885 4.996953 
1 1 1   22    6    2 o 150.7054 2.086000  262.0500 4.887500   249.4000 11.50000   271.4000 8.500000   147.5001 3.404437   153.9107   2.411514 -6.410645 4.172000 
1 1 1   22    6    3 o 56.74810 1.985533  36.84521 1.821918   39.50000 3.800000   34.40000 3.500000   58.70828 2.826337   54.78792   2.789478 3.920361 3.971066 
1 1 1   22    6    4 o 185.1243 1.852483  392.6811 5.538739   389.1000 10.60000   396.6000 11.60000   184.2486 2.512125   186.0000   2.723232 -1.751404 3.704965 
1 1 1   22    6    5 o 175.8788 1.922538  354.6406 5.472146   352.1000 10.70000   357.3000 11.20000   175.2388 2.666203   176.5187   2.770556 -1.279922 3.845077 
1 1 1   22    6    6 o 47.17196 2.289829  25.46857 1.744286   23.30000 3.300000   27.90000 3.700000   45.05014 3.198582   49.29377   3.277551 -4.243626 4.579658 
1 1 1   22    6    7 o 152.5414 1.793179  266.8266 4.407909   262.7000 8.300000   271.5000 9.400000   151.3046 2.395333   153.7784   2.669146 -2.473801 3.586357 
1 1 1   22    6    8 o 94.66376 1.532992  102.8064 2.348936   98.50000 4.600000   107.3000 4.800000   92.63889 2.168224   96.68862   2.167732 -4.049728 3.065984 
1 1 1   22    6    9 o 11.30938 3.595341 -1.614035 1.414035 -0.2000000 2.600000  -3.300000 3.100000   12.04774 5.191435   10.57101   4.975431 1.476735 7.190682 
1 1 1   22    6   10 f 63.79823 1.885577  46.27662 1.831169   43.90000 3.000000   50.00000 4.700000   61.79644 2.119813   65.80001   3.118973 -4.003574 3.771153 
1 1 1   22    6   11 o 22.50616 4.530427  5.137500 1.487500   2.600000 2.100000   11.30000 5.100000   15.21739 5.107494   29.79493   7.484155 -14.57754 9.060854 
1 1 1   22    6   12 o 59.30334 2.185467  41.24321 1.913580   42.20000 3.100000   39.70000 5.000000   60.44130 2.239585   58.16538   3.753575 2.275921 4.370934 
1 1 1   22    6   13 o 37.23361 3.400968  16.30000 2.900000   16.30000 2.900000          ?        ?   37.23361 3.400968          ?          ?       ?       ? 
1 1 1   22    6   14 o 23.39799 4.825781  7.000000 2.500000   7.000000 2.500000          ?        ?   23.39799 4.825781          ?          ?       ?       ? 
1 1 1   22    6   15 o 9.493330 3.214439 -2.553571 1.255357  -1.400000 1.900000  -4.800000 3.700000   8.577756 3.990554   10.40890   5.040432 -1.831148 6.428878 
1 1 1   22    6   16 o 24.80722 4.711109  8.138461 1.661538   6.200000 2.400000   12.50000 5.400000   21.58334 4.959590   28.03109   8.011283 -6.447754 9.422217 
1 1 1   22    8    0 o 21.08643 4.187955  5.250000 1.500000   4.400000 3.000000   6.100000 3.000000   19.58569 6.065132   22.58716   5.776682 -3.001463 8.375911 
1 1 1   22    8    1 o 98.03377 1.669177  110.0830 2.646226   107.1000 5.100000   113.3000 5.500000   96.65736 2.303960   99.41018   2.415859 -2.752815 3.338354 
1 1 1   22    8    2 o 37.69502 2.578276  16.22540 1.565079   18.60000 3.400000   14.20000 2.900000   40.23329 3.690057   35.15676   3.601877 5.076530 5.156553 
1 1 1   22    8    3 o 174.1475 1.992475  348.1942 5.563839   348.7000 10.30000   347.6000 12.10000   174.3207 2.580049   173.9743   3.036967 0.3464203 3.984949 
1 1 1   22    8    4 o 140.2907 1.740526  225.2658 3.918987   217.2000 7.200000   234.9000 8.600000   137.5689 2.285346   143.0124   2.625817 -5.443527 3.481051 
1 1 1   22    8    5 o 211.6805 2.239000  515.6733 7.671010   508.1000 15.00000   523.6000 15.70000   210.1075 3.117378   213.2534   3.214721 -3.145935 4.477999 
1 1 1   22    8    6 o 113.7164 1.561601  148.5678 2.874783   150.6000 5.700000   146.5000 5.800000   114.5067 2.173621   112.9260   2.242712 1.580627 3.123201 
1 1 1   22    8    7 o 63.52308 2.318636  46.51684 2.343158   47.80000 5.300000   45.50000 4.200000   64.24470 3.602287   62.80146   2.920244 1.443233 4.637273 
1 1 1   22    8    8 o 36.95750 3.340564  15.98750 1.995000   17.30000 4.200000   14.80000 3.800000   38.38883 4.777317   35.52618   4.670622 2.862652 6.681128 
1 1 1   22    8    9 o 31.03208 3.379676  11.91270 1.574603   7.900000 3.200000   15.80000 3.100000   25.25565 5.671401   36.80850   3.677505 -11.55285 6.759351 
1 1 1   22    8   10 o 27.48979 4.005106  9.460870 1.721739   8.600000 3.300000   10.40000 3.600000   26.15161 5.673206   28.82797   5.654930 -2.676359 8.010212 
1 1 1   22    8   11 o 22.11058 4.257575  6.124242 1.643939   9.200000 3.500000   3.400000 3.100000   26.87543 5.852429   17.34572   6.185212 9.529715 8.515150 
1 1 1   22    8   12 o 56.82359 2.145358  38.53077 1.938461   41.30000 3.600000   35.30000 4.200000   59.27674 2.651905   54.37043   3.373077 4.906307 4.290716 
1 1 1   22    8   13 o 26.60035 4.186306  9.827397 1.821918   6.600000 3.800000   12.80000 3.500000   21.43638 6.852111   31.76433   4.811362 -10.32796 8.372612 
1 1 1   22    8   14 o 43.09113 2.791783  22.80000 1.938461   25.60000 4.200000   20.40000 3.600000   45.46647 4.033646   40.71580   3.860817 4.750671 5.583566 
1 1 1   22   10    0 o 43.34515 2.244575  21.41429 1.542857   19.70000 2.700000   23.70000 3.600000   41.37037 2.849798   45.31993   3.468590 -3.949558 4.489150 
1 1 1   22   10    1 o 53.05510 2.066762  32.36479 1.771831   35.70000 3.700000   29.30000 3.400000   55.67562 2.901860   50.43458   2.943678 5.241039 4.133525 
1 1 1   22   10    2 o 16.24058 4.036489  2.576364 1.374545   4.000000 2.700000   1.100000 2.800000   18.45907 5.760097   14.02208   5.656345 4.436994 8.072977 
1 1 1   22   10    3 o 54.35140 2.097663  34.10000 1.783562   34.10000 3.100000   34.10000 4.200000   54.41624 2.487556   54.28657   3.378287 0.1296654 4.195326 
1 1 1   22   10    4 o 41.27003 3.014798  20.11013 1.936709   18.80000 4.500000   21.10000 3.400000   39.92999 4.920996   42.61006   3.484227 -2.680069 6.029597 
1 1 1   22   10    5 o 39.02435 2.175350  17.49636 1.352727   16.10000 2.400000   19.30000 3.100000   37.29787 2.809745   40.75084   3.321734 -3.452965 4.350699 
1 1 1   22   10    6 o 34.46168 3.761586  14.23951 1.987654   9.400000 3.500000   20.60000 4.600000   27.38403 5.763369   41.53933   4.835463 -14.15530 7.523172 
1 1 1   22   10    7 o 17.93565 3.647010  2.801724 1.443103  -1.900000 2.700000   8.200000 3.100000   10.41410 4.814285   25.45721   5.479543 -15.04311 7.294020 
1 1 1   22   10    8 o 16.47499 4.417019  2.458209 1.665672   4.500000 3.600000  0.7000000 3.100000   19.23944 6.681402   13.71053   5.779194 5.528909 8.834038 
1 1 1   22   10    9 o 26.76360 3.944211  9.808696 1.721739   4.800000 3.600000   14.40000 3.300000   19.18093 6.680252   34.34627   4.195406 -15.16535 7.888422 
1 1 1   22   10   10 o 19.84238 4.270925  5.393333 1.493333   6.300000 3.200000   4.600000 2.800000   21.24424 6.195411   18.44052   5.880482 2.803724 8.541849 
1 1 1   22   10   11 o 26.67006 4.228990  6.456180 1.656180   24.90000 6.700000  0.4000000 2.200000   42.06930 6.954233   11.27081   4.814154 30.79848 8.457980 
1 1 1   22   10   12 f 15.38009 4.869136 0.9742268 2.288660   4.500000 6.000000  -1.200000 3.700000   18.52917 7.933293   12.23102   5.647725 6.298154 9.738272 
1 1 1   22   12    0 o 15.28199 3.926378  2.162500 1.312500   3.400000 2.100000  0.1000000 3.500000   16.66480 5.058831   13.89917   6.006165 2.765630 7.852757 
1 1 1   22   12    1 o 31.99953 3.578017  12.59306 1.798611   10.60000 3.500000   14.70000 3.700000   29.03533 5.464099   34.96373   4.620869 -5.928404 7.156033 
1 1 1   22   12    2 o 18.71952 4.280653  4.092308 1.606154   6.100000 2.900000   1.600000 3.600000   21.86069 5.724812   15.57835   6.365729 6.282343 8.561307 
1 1 1   22   12    3 o 30.29027 3.823431  12.43529 1.647059   15.40000 2.800000   8.200000 4.000000   36.02469 3.393888   24.55586   6.852446 11.46883 7.646861 
1 1 1   22   12    4 f 21.82871 4.456262  6.488235 1.686765   7.400000 3.100000   5.400000 3.700000   23.57131 5.785645   20.08611   6.779335 3.485193 8.912523 
1 1 1   22   12    5 o 17.51674 4.816415  3.306024 2.050602   5.000000 3.700000   1.200000 4.600000   19.24421 6.768438   15.78927   6.854170 3.454936 9.632830 
1 1 1   22   12    6 o 26.86114 3.965960  9.726087 1.721739   5.900000 3.300000   13.90000 3.600000   20.55041 6.360717   33.17186   4.738843 -12.62145 7.931920 
1 1 1   22   12    7 o 14.06622 4.153563 0.7727273 1.625758  -1.600000 2.900000   3.800000 3.700000   10.74005 4.973558   17.39238   6.653727 -6.652337 8.307127 
1 1 1   22   12    8 o 21.79255 4.677226  7.091667 1.750000   6.300000 3.000000   8.200000 4.200000   20.84003 5.976073   22.74506   7.196687 -1.905033 9.354451 
1 1 1   22   14    0 o 15.23717 4.588118  1.883750 1.988750   1.400000 4.300000   2.300000 3.700000   15.11034 6.592366   15.36400   6.383103 -0.2536678 9.176235 
1 1 1   22   14    1 o 13.47319 4.112204 0.8820896 1.665672 -0.3000000 3.600000   1.900000 3.100000   12.74537 5.764071   14.20102   5.866546 -1.455659 8.224407 
1 1 1   23    1    0 o 167.3896 1.577148  320.9018 4.274854   320.6000 8.600000   321.2000 8.500000   167.3111 2.244467   167.4680   2.216291 -0.1568909 3.154295 
1 1 1   23    1    1 o 419.6658 3.516749  2018.378 23.89738   2049.500 48.30000   1987.900 47.30000   422.8664 4.987509   416.4652   4.959320 6.401123 7.033498 
1 1 1   23    1    2 o 142.9230 1.458411  233.9178 3.373333   232.5000 6.600000   235.4000 6.900000   142.4807 2.022683   143.3654   2.101573 -0.8847809 2.916822 
1 1 1   23    1    3 o 519.4513 4.264829  3095.658 35.87359   3057.400 71.30000   3134.400 72.20000   516.2214 6.031055   522.6813   6.031703 -6.459900 8.529658 
1 1 1   23    1    4 o 123.0601 1.392627  173.4559 2.774775   172.8000 5.600000   174.1000 5.500000   122.8292 1.990793   123.2910   1.947919 -0.4618454 2.785255 
1 1 1   23    1    5 o 96.21097 1.219052  105.7947 1.894737   111.9000 4.000000   100.3000 3.600000   98.84201 1.767088   93.57992   1.679808 5.262093 2.438104 
1 1 1   23    1    6 o 116.2574 1.838507  153.8853 3.234559   159.5000 8.300000   150.3000 5.300000   117.9690 3.072203   114.5458   2.020396 3.423248 3.677014 
1 1 1   23    1    7 o 104.7969 1.356996  125.9337 2.298913   129.7000 4.500000   122.0000 4.700000   106.4022 1.846722   103.1915   1.988811 3.210709 2.713992 
1 1 1   23    1    8 o 190.2047 1.818096  414.7156 5.599554   418.6000 11.30000   410.9000 11.10000   191.0866 2.582188   189.3229   2.560116 1.763763 3.636192 
1 1 1   23    1    9 o 64.17915 1.622173  47.39552 1.665672   49.20000 3.100000   45.30000 3.600000   65.51242 2.066226   62.84588   2.501298 2.666542 3.244346 
1 1 1   23    1   10 o 102.1232 1.483065  119.5429 2.440816   117.9000 4.600000   121.4000 5.200000   101.3866 1.981148   102.8598   2.207482 -1.473244 2.966130 
1 1 1   23    1   11 o 84.61591 1.350839  81.91621 1.837838   78.70000 3.400000   85.70000 4.000000   82.82458 1.792501   86.40725   2.021387 -3.582672 2.701678 
1 1 1   23    1   12 o 110.9038 1.365543  141.1592 2.440816   139.0000 4.600000   143.6000 5.200000   110.0200 1.825686   111.7877   2.031183 -1.767738 2.731086 
1 1 1   23    1   13 o 113.5253 1.481738  147.9606 2.713762   156.9000 5.800000   140.1000 5.100000   116.7164 2.169880   110.3341   2.018368 6.382378 2.963475 
1 1 1   23    1   14 o 101.2022 1.448893  117.9211 2.368421   123.5000 5.000000   112.9000 4.500000   103.4497 2.110476   98.95461   1.985712 4.495125 2.897785 
1 1 1   23    1   15 o 26.84974 3.924657  9.096970 1.648485   9.000000 3.200000   9.200000 3.400000   26.75550 5.408463   26.94399   5.688607 -0.1884937 7.849313 
1 1 1   23    1   16 o 39.52500 2.258858  18.28621 1.422414   15.70000 2.500000   21.70000 3.300000   36.42041 2.997332   42.62959   3.380201 -6.209187 4.517716 
1 1 1   23    1   17 o 19.64131 4.075825  5.023077 1.615385   8.300000 3.000000   1.200000 3.500000   24.93612 5.408925   14.34649   6.098600 10.58963 8.151649 
1 1 1   23    1   18 o 40.73340 3.112561  21.40625 1.998750   27.30000 4.100000   15.80000 3.900000   46.78312 3.826787   34.68368   4.909974 12.09944 6.225122 
1 1 1   23    3    0 o 166.2409 1.917452  316.5000 7.300000   316.5000 7.300000          ?        ?   166.2409 1.917452          ?          ?       ?       ? 
1 1 1   23    3    1 o 183.3139 2.429654  384.9000 10.20000   384.9000 10.20000          ?        ?   183.3139 2.429654          ?          ?       ?       ? 
1 1 1   23    3    2 o 184.3004 2.072856  387.1405 5.331646   382.8000 8.100000   395.5000 15.60000   182.8211 1.934633   185.7796   3.666623 -2.958557 4.145712 
1 1 1   23    3    3 o 180.0077 1.996081  376.7513 5.171171   391.6000 8.200000   351.4000 14.00000   184.9063 1.936430   175.1091   3.491073 9.797180 3.992161 
1 1 1   23    3    4 o 220.8004 2.315553  565.0062 7.617188   586.1000 12.50000   532.1000 19.50000   226.1826 2.413184   215.4183   3.952681 10.76434 4.631106 
1 1 1   23    3    5 o 305.0482 3.094468  1077.086 13.70392   1103.900 21.80000   1031.700 36.90000   310.3500 3.067217   299.7464   5.375417 10.60358 6.188936 
1 1 1   23    3    6 o 347.0263 3.659159  1381.089 18.18775   1374.300 28.30000   1393.300 50.90000   346.1511 3.569936   347.9016   6.388532 -1.750549 7.318318 
1 1 1   23    3    7 f 150.6057 2.074112  260.6196 4.445876   261.9000 6.900000   258.3000 12.50000   151.1850 1.992875   150.0265   3.638160 1.158539 4.148224 
1 1 1   23    3    8 o 126.8983 1.890956  187.6400 3.600000   198.4000 6.000000   171.5000 9.000000   131.5672 1.991330   122.2293   3.215192 9.337936 3.781911 
1 1 1   23    3    9 f 57.12453 2.182753  37.67922 1.753247   38.10000 2.700000   36.90000 5.000000   57.63811 2.045473   56.61095   3.856641 1.027161 4.365506 
1 1 1   23    3   10 o 86.96429 1.656496  86.74615 2.153846   86.40000 3.500000   87.30000 5.600000   86.79353 1.760842   87.13506   2.806305 -0.3415298 3.312991 
1 1 1   23    3   11 o 23.75790 4.251736  6.566667 1.466667   6.000000 2.200000   7.700000 4.400000   22.35423 4.453775   25.16157   7.243820 -2.807341 8.503472 
1 1 1   23    3   12 o 32.54018 3.327502  13.01935 1.388710   13.90000 2.100000   11.30000 4.100000   34.72092 2.640996   30.35943   6.108538 4.361488 6.655005 
1 1 1   23    3   13 f 59.01922 2.236681  40.90122 1.928049   42.30000 3.100000   38.60000 5.100000   60.57078 2.234798   57.46765   3.875131 3.103130 4.473361 
1 1 1   23    3   14 o 21.50209 3.883119  5.818182 1.370909   4.400000 2.600000   7.400000 2.900000   18.76970 5.613577   24.23448   5.366768 -5.464777 7.766238 
1 1 1   23    3   15 o 16.86904 4.614507  2.592958 1.554930   1.200000 2.300000   5.500000 4.800000   12.81009 5.140882   20.92798   7.664595 -8.117889 9.229013 
1 1 1   23    3   16 o 19.03057 4.211399  4.876667 1.473333   5.700000 2.600000   3.800000 3.400000   20.63294 5.428985   17.42821   6.439692 3.204739 8.422797 
1 1 1   23    3   17 o 28.46264 3.990328  10.23333 1.661111   7.200000 2.600000   15.60000 4.600000   23.33461 5.014665   33.59066   6.208382 -10.25605 7.980656 
1 1 1   23    5    0 o 286.4664 2.602954  940.4863 12.07453   930.3000 24.00000   950.8000 24.30000   284.9056 3.678324   288.0272   3.683940 -3.121582 5.205908 
1 1 1   23    5    1 o 225.6355 2.156512  582.8644 7.852064   594.3000 16.60000   572.6000 14.90000   227.7262 3.182986   223.5448   2.910459 4.181473 4.313024 
1 1 1   23    5    2 o 255.6510 2.379090  748.8817 9.843656   767.8000 20.20000   730.9000 19.20000   258.7949 3.408281   252.5071   3.320224 6.287827 4.758179 
1 1 1   23    5    3 o 285.2113 2.561762  932.6634 11.81311   930.6000 24.40000   934.6000 22.90000   284.8941 3.739780   285.5286   3.502076 -0.6345215 5.123524 
1 1 1   23    5    4 o 297.1958 3.189241  1017.059 14.76760   1032.800 25.60000   995.6000 34.90000   300.0488 3.725527   294.3428   5.177401 5.706024 6.378482 
1 1 1   23    5    5 o 61.79883 2.257655  40.51099 2.010989   32.50000 3.000000   56.80000 6.100000   53.24924 2.460071   70.34843   3.786301 -17.09919 4.515310 
1 1 1   23    5    6 f 104.5025 2.054830  122.0140 3.075735   114.1000 4.700000   137.0000 8.900000   99.77571 2.056898   109.2292   3.557876 -9.453514 4.109661 
1 1 1   23    5    7 f 89.64221 1.753596  92.10000 3.600000   92.10000 3.600000          ?        ?   89.64221 1.753596          ?          ?       ?       ? 
1 1 1   23    5    8 o 68.57649 1.655664  54.58472 1.765278   57.90000 3.100000   50.20000 4.100000   71.05060 1.905170   66.10238   2.708360 4.948219 3.311327 
1 1 1   23    5    9 o 78.88883 1.896631  68.97872 2.042553   64.00000 3.000000   79.60000 6.400000   74.69030 1.753868   83.08736   3.363448 -8.397064 3.793261 
1 1 1   23    5   10 o 46.17498 2.697973  23.94557 1.777215   22.10000 2.700000   27.50000 5.200000   43.79631 2.691944   48.55364   4.676503 -4.757332 5.395947 
1 1 1   23    5   11 o 68.43307 2.166969  53.57340 2.196809   51.60000 3.500000   56.90000 5.900000   66.92557 2.283577   69.94057   3.683516 -3.015007 4.333937 
1 1 1   23    5   12 o 38.59565 3.081508  15.91688 1.612987   12.90000 2.300000   23.00000 5.400000   33.33363 3.012902   43.85767   5.376354 -10.52405 6.163016 
1 1 1   23    5   13 o 39.22635 2.882841  18.30000 1.533333   18.30000 2.300000   18.30000 4.600000   39.67949 2.531054   38.77321   5.180429 0.9062805 5.765682 
1 1 1   23    5   14 o 43.12857 2.862873  22.96933 1.754667   24.50000 2.800000   20.40000 4.700000   45.72178 2.674082   40.53536   5.062949 5.186417 5.725746 
1 1 1   23    5   15 o 19.82868 4.850241  4.821053 1.642105   2.800000 2.400000   9.200000 5.200000   15.20534 5.440104   24.45203   8.031476 -9.246690 9.700481 
1 1 1   23    5   16 o 26.71615 4.468250  10.02308 1.765385   10.30000 2.700000   9.500000 5.100000   28.82992 4.089404   24.60238   7.945930 4.227535 8.936501 
1 1 1   23    7    0 o 112.2111 1.431142  144.0346 2.591346   139.7000 4.900000   148.9000 5.500000   110.4248 1.937622   113.9973   2.106725 -3.572495 2.862284 
1 1 1   23    7    1 o 78.33350 1.537137  70.26923 1.948718   67.20000 3.800000   73.50000 4.000000   76.57908 2.166772   80.08793   2.180884 -3.508850 3.074273 
1 1 1   23    7    2 o 59.16119 1.775125  39.96912 1.686765   38.10000 3.100000   42.20000 3.700000   57.65409 2.347855   60.66828   2.663053 -3.014187 3.550250 
1 1 1   23    7    3 o 109.4215 1.537925  137.2495 2.724771   137.2000 5.400000   137.3000 5.500000   109.4027 2.155289   109.4404   2.194445 -0.3771210E-01 3.075851 
1 1 1   23    7    4 o 132.3923 1.680948  201.1986 3.599306   194.0000 7.300000   208.2000 7.100000   130.0475 2.451097   134.7371   2.300970 -4.689545 3.361895 
1 1 1   23    7    5 o 151.5470 1.784062  263.5303 4.363429   260.4000 8.300000   267.0000 9.200000   150.6171 2.406265   152.4769   2.634654 -1.859787 3.568125 
1 1 1   23    7    6 o 112.1713 1.504133  144.0514 2.697248   140.5000 4.900000   148.4000 6.000000   110.6607 1.933492   113.6820   2.304620 -3.021301 3.008266 
1 1 1   23    7    7 o 46.78714 2.256456  25.19412 1.694118   30.70000 3.600000   20.30000 3.200000   51.62201 3.045141   41.95228   3.330689 9.669724 4.512911 
1 1 1   23    7    8 o 42.09427 2.423015  20.50909 1.648485   20.20000 3.400000   20.80000 3.200000   41.76994 3.554306   42.41860   3.294074 -0.6486588 4.846031 
1 1 1   23    7    9 o 59.85774 1.883510  41.29726 1.816438   39.90000 3.400000   42.90000 3.900000   58.79932 2.524913   60.91616   2.795579 -2.116844 3.767021 
1 1 1   23    7   10 o 23.61569 4.468688  6.924719 1.840449   9.700000 2.600000  0.2000000 6.300000   28.76550 3.946764   18.46588   8.018713 10.29962 8.937377 
1 1 1   23    7   11 o 40.97549 4.861653  23.18108 2.529730   26.80000 3.900000   16.50000 7.200000   47.69089 3.570827   34.26009   9.043885 13.43080 9.723306 
1 1 1   23    7   12 o 16.57930 4.347430  1.917333 1.818667   5.100000 3.100000  -2.600000 4.400000   19.91308 6.165204   13.24551   6.131138 6.667572 8.694860 
1 1 1   23    7   13 o 19.26909 4.373992  4.364062 1.473437   2.100000 2.300000   8.400000 4.100000   14.07441 5.277400   24.46378   6.976839 -10.38936 8.747985 
1 1 1   23    7   14 o 15.74673 4.717120 0.9000000 1.855422  -1.900000 2.800000   6.400000 5.500000   10.35489 4.826324   21.13858   8.106262 -10.78369 9.434240 
1 1 1   23    7   15 o 18.37004 4.818352  4.232468 1.722078   1.700000 2.600000   9.200000 5.100000   13.39131 5.433487   23.34877   7.958849 -9.957456 9.636703 
1 1 1   23    9    0 o 43.47953 2.412182  21.63235 1.686765   23.70000 3.700000   19.90000 3.100000   45.36795 3.561166   41.59110   3.254625 3.776852 4.824364 
1 1 1   23    9    1 o 82.73693 1.762535  78.83192 2.340425   81.50000 4.400000   75.80000 5.000000   84.25711 2.280267   81.21675   2.688216 3.040359 3.525071 
1 1 1   23    9    2 o 18.27261 4.516669  3.500000 1.650000   3.100000 3.300000   3.900000 3.300000   17.67031 6.372786   18.87492   6.402250 -1.204609 9.033339 
1 1 1   23    9    3 o 23.49522 4.934577  6.407408 1.955556   8.600000 4.800000   4.900000 3.300000   26.54684 7.541357   20.44360   6.366171 6.103237 9.869154 
1 1 1   23    9    4 o 79.92139 2.027758  73.54285 2.619048   70.40000 5.000000   77.00000 5.500000   78.14561 2.793864   81.69718   2.939648 -3.551575 4.055515 
1 1 1   23    9    5 o 75.57797 1.480231  65.97500 1.794444   69.80000 3.400000   61.70000 3.800000   77.93580 1.904941   73.22015   2.266171 4.715645 2.960461 
1 1 1   23    9    6 o 13.02147 3.810261     -0.07 1.423729  -3.100000 3.500000   2.000000 2.400000   11.50775 5.374484   14.53518   5.402525 -3.027428 7.620522 
1 1 1   23    9    7 o 28.75848 3.021448  9.767858 1.392857   10.00000 2.600000   9.500000 3.000000   29.19796 3.888307   28.31900   4.625760 0.8789635 6.042895 
1 1 1   23    9    8 o 37.89995 2.615406  16.97656 1.598437   16.10000 3.300000   17.80000 3.100000   36.88536 3.906606   38.91454   3.478480 -2.029175 5.230812 
1 1 1   23    9    9 o 34.48156 2.875914  13.93125 1.575000   18.60000 3.600000   10.30000 2.800000   39.56886 3.972726   29.39426   4.159444 10.17460 5.751828 
1 1 1   23    9   10 o 26.22670 4.188947  9.111428 1.737143   11.50000 3.800000   7.100000 3.200000   29.49288 5.832719   22.96053   6.014025 6.532351 8.377894 
1 1 1   23    9   11 o 26.37140 3.869247  9.486154 1.621538   6.400000 3.400000   12.30000 3.100000   21.29857 6.430580   31.44423   4.304874 -10.14566 7.738494 
1 1 1   23    9   12 o 14.41031 4.253391  1.464179 1.674627   2.400000 3.300000  0.5000000 3.400000   15.37089 6.161647   13.44974   5.865104 1.921151 8.506783 
1 1 1   23   11    0 o 45.43394 2.750966  23.99877 2.009876   22.40000 3.700000   25.90000 4.400000   43.83179 3.685973   47.03608   4.084711 -3.204281 5.501932 
1 1 1   23   11    1 o 39.68520 2.639191  18.00588 1.647059   15.70000 2.800000   21.30000 4.000000   36.74259 3.327576   42.62781   4.097384 -5.885216 5.278382 
1 1 1   23   11    2 o 16.63781 3.694164 0.5376810 1.681159   6.800000 2.900000  -8.100000 4.000000   23.30779 5.518374   9.967817   4.912731 13.33998 7.388327 
1 1 1   23   11    3 o 46.39397 2.333575  24.97143 1.714286   23.30000 3.000000   27.20000 4.000000   44.70915 2.929979   48.07880   3.632839 -3.369644 4.667151 
1 1 1   23   11    4 o 28.86760 3.532093  10.28281 1.598437   11.30000 3.100000   9.200000 3.300000   30.73676 4.403959   26.99844   5.523393 3.738319 7.064187 
1 1 1   23   11    5 o 38.00256 2.744524  17.62615 1.624615   22.50000 3.200000   12.60000 3.300000   43.71281 3.196546   32.29231   4.462256 11.42050 5.489048 
1 1 1   23   11    6 o 16.82005 4.586883  3.084507 1.732394   3.000000 3.000000   3.200000 4.100000   16.20494 6.036833   17.43517   6.907578 -1.230236 9.173766 
1 1 1   23   11    7 o 21.95469 5.352274  7.009473 2.330526   6.100000 5.400000   7.700000 4.100000   20.87489 8.025786   23.03449   7.083370 -2.159609 10.70455 
1 1 1   23   11    8 o 13.79711 4.455518 -1.069231 2.153846  -3.100000 5.600000  0.2000000 3.500000   14.19869 6.684178   13.39553   5.893075 0.8031616 8.911036 
1 1 1   23   11    9 o 41.68303 2.777929  21.59067 1.874667   20.90000 3.700000   22.30000 3.800000   40.99720 3.940826   42.36886   3.916305 -1.371658 5.555858 
1 1 1   23   13    0 o 14.60861 4.349459  1.428571 1.737143   1.700000 3.800000   1.200000 3.200000   15.26035 6.413665   13.95687   5.876740 1.303483 8.698918 
1 1 1   23   13    1 o 13.99121 4.204355 0.7857143 1.714286   2.200000 3.000000  -1.100000 4.000000   14.86149 5.902146   13.12092   5.989247 1.740574 8.408710 
1 1 1   23   13    2 o 17.74671 4.706038  3.894521 1.747945   3.100000 2.900000   5.100000 4.400000   16.04543 5.943664   19.44800   7.297945 -3.402571 9.412075 
1 1 1   23   13    3 o 8.807922 3.080962 -6.678788 1.643939  -4.800000 3.100000  -8.800000 3.500000   9.191622 4.487517   8.424223   4.222736 0.7673988 6.161924 
1 1 1   23   13    4 o 21.95654 5.173376  7.318391 1.995402   6.000000 3.100000   9.700000 5.600000   20.28477 6.143882   23.62830   8.325143 -3.343534 10.34675 
1 1 1   24    0    0 o 490.1492 5.694352  2753.800 63.90000   2753.800 63.90000   2753.800 63.90000   490.1492 5.694352   490.1492   5.694352 0.000000 0.000000 
1 1 1   24    0    1 o 187.8895 2.464401  404.5000 10.60000   404.5000 10.60000   404.5000 10.60000   187.8895 2.464401   187.8895   2.464401 0.000000 0.000000 
1 1 1   24    0    2 o 312.8816 3.825221  1121.900 27.40000   1121.900 27.40000   1121.900 27.40000   312.8816 3.825221   312.8816   3.825221 0.000000 0.000000 
1 1 1   24    0    3 o 321.5236 3.898995  1184.800 28.70000   1184.800 28.70000   1184.800 28.70000   321.5236 3.898995   321.5236   3.898995 0.000000 0.000000 
1 1 1   24    0    4 o 23.69583 3.319320  6.800000 1.700000   6.800000 1.700000   6.800000 1.700000   23.69583 3.319320   23.69583   3.319320 0.000000 0.000000 
1 1 1   24    0    5 o 131.2227 2.264287  197.4000 6.800000   197.4000 6.800000   197.4000 6.800000   131.2227 2.264287   131.2227   2.264287 0.000000 0.000000 
1 1 1   24    0    6 o 8.114027 5.160391 0.2000000 2.100000  0.2000000 2.100000  0.2000000 2.100000   8.114027 5.160391   8.114027   5.160391 0.000000 0.000000 
1 1 1   24    0    7 o 245.7893 3.056726  692.6000 17.20000   692.6000 17.20000   692.6000 17.20000   245.7893 3.056726   245.7893   3.056726 0.000000 0.000000 
1 1 1   24    0    8 o 141.1850 2.042207  228.5000 6.600000   228.5000 6.600000   228.5000 6.600000   141.1850 2.042207   141.1850   2.042207 0.000000 0.000000 
1 1 1   24    0    9 o 204.8951 2.750262  481.6000 12.90000   481.6000 12.90000   481.6000 12.90000   204.8951 2.750262   204.8951   2.750262 0.000000 0.000000 
1 1 1   24    0   10 o 106.2242 2.098305  129.5000 5.100000   129.5000 5.100000   129.5000 5.100000   106.2242 2.098305   106.2242   2.098305 0.000000 0.000000 
1 1 1   24    0   11 o 29.69524 4.401609  10.80000 2.800000   10.80000 2.800000   10.80000 2.800000   29.69524 4.401609   29.69524   4.401609 0.000000 0.000000 
1 1 1   24    0   12 o 162.1245 2.398254  302.0000 8.900000   302.0000 8.900000   302.0000 8.900000   162.1245 2.398254   162.1245   2.398254 0.000000 0.000000 
1 1 1   24    0   13 o 30.91100 3.348611  11.40000 2.300000   11.40000 2.300000   11.40000 2.300000   30.91100 3.348611   30.91100   3.348611 0.000000 0.000000 
1 1 1   24    0   14 o 26.89210 5.073530  9.300000 2.800000   9.300000 2.800000   9.300000 2.800000   26.89210 5.073530   26.89210   5.073530 0.000000 0.000000 
1 1 1   24    0   15 o 6.696678 4.670760 -2.300000 2.600000  -2.300000 2.600000  -2.300000 2.600000   6.696678 4.670760   6.696678   4.670760 0.000000 0.000000 
1 1 1   24    0   16 f 9.697621 5.925715  1.200000 2.500000   1.200000 2.500000   1.200000 2.500000   9.697621 5.925715   9.697621   5.925715 0.000000 0.000000 
1 1 1   24    0   17 o 22.48103 4.874026  6.800000 2.200000   6.800000 2.200000   6.800000 2.200000   22.48103 4.874026   22.48103   4.874026 0.000000 0.000000 
1 1 1   24    2    0 o 275.2448 2.795727  869.4120 11.25249   873.2000 17.90000   863.0000 30.30000   276.0993 2.830919   274.3902   4.821851 1.709076 5.591453 
1 1 1   24    2    1 o 200.6074 2.296656  466.3158 6.604912   480.0000 10.40000   442.5000 18.10000   204.7154 2.218311   196.4993   4.022141 8.216095 4.593312 
1 1 1   24    2    2 f 224.5275 2.221934  582.4879 7.523885   600.8000 12.50000   554.8000 18.90000   229.0242 2.383243   220.0308   3.750749 8.993378 4.443869 
1 1 1   24    2    3 o 118.5696 1.566734  161.7612 2.706035   163.8000 4.300000   158.3000 7.300000   119.5924 1.570019   117.5468   2.711764 2.045570 3.133468 
1 1 1   24    2    4 o 395.9425 3.713272  1825.639 22.13572   1922.900 37.00000   1680.800 55.10000   409.4853 3.945510   382.3998   6.291782 27.08551 7.426545 
1 1 1   24    2    5 o 203.3978 2.338309  474.0190 6.703729   473.6000 10.30000   474.8000 19.20000   203.3258 2.211996   203.4698   4.120416 -0.1439209 4.676618 
1 1 1   24    2    6 o 121.1223 1.671859  170.6656 2.907200   177.4000 4.600000   159.1000 7.900000   124.4450 1.614061   117.7995   2.928353 6.645569 3.343717 
1 1 1   24    2    7 o 126.7409 1.690588  185.0844 3.219259   188.5000 5.300000   179.8000 8.200000   128.2663 1.804277   125.2155   2.859535 3.050735 3.381176 
1 1 1   24    2    8 f 163.3970 2.002836  303.3598 4.598039   296.6000 7.000000   316.3000 13.40000   160.8655 1.900093   165.9284   3.526336 -5.062897 4.005671 
1 1 1   24    2    9 o 59.98145 2.096705  41.24231 1.765385   41.00000 2.700000   41.70000 5.100000   59.78915 1.971883   60.17374   3.700861 -0.3845940 4.193411 
1 1 1   24    2   10 o 57.91786 2.070414  39.56487 1.763514   42.70000 2.900000   34.70000 4.500000   60.98991 2.076250   54.84581   3.582686 6.144108 4.140828 
1 1 1   24    2   11 o 53.03774 2.090600  34.11846 1.455385   37.30000 2.200000   27.90000 4.300000   57.00780 1.685109   49.06768   3.826596 7.940121 4.181200 
1 1 1   24    2   12 o 38.79122 2.354108  17.16441 1.423729   15.70000 2.400000   19.30000 3.500000   36.85699 2.843355   40.72545   3.752683 -3.868458 4.708216 
1 1 1   24    2   13 f 110.1476 1.841307  139.1960 2.832540   136.5000 4.300000   144.4000 8.300000   108.9265 1.723751   111.3687   3.254278 -2.442192 3.682614 
1 1 1   24    2   14 o 40.52914 2.099053  19.20545 1.370909   19.30000 2.600000   19.10000 2.900000   40.68267 2.790639   40.37561   3.136307 0.3070602 4.198105 
1 1 1   24    2   15 o 11.70753 3.615792 -0.7220337 1.352542   1.200000 2.100000  -4.200000 3.800000   12.35257 4.927876   11.06249   5.292623 1.290079 7.231584 
1 1 1   24    2   16 o 23.71219 3.884036  8.271428 1.607143   11.70000 2.500000   2.100000 4.500000   31.08592 3.511688   16.33847   6.928995 14.74746 7.768071 
1 1 1   24    2   17 o 35.05189 2.248730  14.83529 1.270588   14.60000 2.400000   15.10000 2.700000   34.85450 3.006714   35.24927   3.344670 -0.3947716 4.497460 
1 1 1   24    4    0 o 486.0411 4.087840  2710.048 32.17172   2740.200 65.00000   2680.500 63.70000   488.7133 5.807629   483.3689   5.754405 5.344482 8.175680 
1 1 1   24    4    1 o 92.63785 1.349834  98.27901 2.024691   96.60000 4.000000   100.0000 4.100000   91.83684 1.901878   93.43886   1.916002 -1.602020 2.699668 
1 1 1   24    4    2 o 467.9950 3.902177  2513.886 29.56179   2579.800 60.40000   2450.700 57.90000   473.9905 5.564255   461.9995   5.472386 11.99097 7.804354 
1 1 1   24    4    3 o 327.4383 3.291627  1249.564 15.94784   1312.500 26.10000   1150.700 41.00000   338.3701 3.368125   316.5065   5.656410 21.86359 6.583255 
1 1 1   24    4    4 o 103.1651 1.647059  122.7183 2.322115   124.3000 3.500000   119.6000 6.900000   104.1769 1.467021   102.1534   2.949417 2.023552 3.294117 
1 1 1   24    4    5 o 152.9038 2.031178  266.0969 4.416495   261.4000 6.800000   274.8000 12.60000   151.0451 1.965811   154.7624   3.555043 -3.717255 4.062357 
1 1 1   24    4    6 o 137.4185 1.860034  217.3875 3.750000   219.9000 6.000000   213.2000 10.00000   138.5284 1.891265   136.3086   3.203440 2.219788 3.720068 
1 1 1   24    4    7 o 72.23917 1.670329  59.88552 1.793421   60.00000 2.900000   59.70000 4.700000   72.35549 1.750113   72.12283   2.845540 0.2326584 3.340658 
1 1 1   24    4    8 o 91.41716 1.738310  95.73775 2.188776   95.30000 3.300000   96.60000 6.500000   91.17860 1.580377   91.65572   3.096660 -0.4771194 3.476621 
1 1 1   24    4    9 o 105.0914 1.553999  128.0621 2.487379   133.2000 4.200000   120.6000 6.100000   107.7617 1.701863   102.4211   2.600638 5.340553 3.107999 
1 1 1   24    4   10 o 55.09371 2.320030  37.36267 1.754667   43.00000 2.800000   27.90000 4.700000   61.17934 1.998449   49.00809   4.187644 12.17125 4.640060 
1 1 1   24    4   11 o 106.8199 1.737558  133.8078 2.795690   142.6000 4.700000   120.9000 6.900000   111.3830 1.842548   102.2569   2.946430 9.126083 3.475116 
1 1 1   24    4   12 o 19.76313 4.296782  3.555072 1.620290 -0.1000000 2.600000   9.600000 4.300000   12.02365 5.186213   27.50262   6.852192 -15.47897 8.593564 
1 1 1   24    4   13 o 62.11027 2.232736  45.01860 1.953488   44.60000 3.000000   45.80000 5.600000   62.08844 2.109843   62.13210   3.935607 -0.4365540E-01 4.465472 
1 1 1   24    4   14 o 22.60928 4.019960  6.800000 1.680000   10.00000 2.800000   2.000000 4.200000   28.73039 4.255555   16.48817   6.821332 12.24222 8.039921 
1 1 1   24    4   15 o 19.08546 3.885042  4.683019 1.301887   2.600000 2.300000   7.400000 3.000000   14.78234 5.321659   23.38858   5.661638 -8.606234 7.770083 
1 1 1   24    4   16 o 30.50035 4.129495  12.15443 1.860759   9.800000 3.000000   16.00000 4.900000   27.34907 4.973003   33.65164   6.593948 -6.302572 8.258989 
1 1 1   24    6    0 o 109.9986 1.353114  139.0167 2.395833   131.1000 5.000000   146.3000 4.600000   106.9801 2.040829   113.0171   1.777270 -6.036934 2.706228 
1 1 1   24    6    1 o 185.7251 2.406397  393.1211 6.739437   384.6000 11.00000   406.6000 17.40000   183.1944 2.621925   188.2558   4.035901 -5.061478 4.812794 
1 1 1   24    6    2 o 73.19926 1.849414  60.97586 2.110345   58.70000 3.600000   64.20000 5.100000   71.57190 2.196340   74.82662   2.976142 -3.254723 3.698829 
1 1 1   24    6    3 o 101.5666 2.012271  117.8087 2.875591   116.7000 4.400000   119.9000 8.300000   100.9204 1.903765   102.2127   3.545789 -1.292290 4.024543 
1 1 1   24    6    4 o 104.6697 1.535122  125.4731 2.591346   123.4000 4.900000   127.8000 5.500000   103.7586 2.062109   105.5807   2.274666 -1.822121 3.070245 
1 1 1   24    6    5 o 47.75266 2.170899  26.21194 1.674627   28.80000 3.400000   23.70000 3.300000   50.08232 2.964382   45.42301   3.172326 4.659313 4.341798 
1 1 1   24    6    6 o 41.06695 2.461907  19.75312 1.593750   22.80000 3.000000   16.30000 3.400000   44.53594 2.941375   37.59795   3.948703 6.937988 4.923813 
1 1 1   24    6    7 o 72.11710 1.819383  59.73294 2.122353   61.70000 4.400000   57.90000 4.100000   73.25762 2.622645   70.97657   2.522368 2.281052 3.638765 
1 1 1   24    6    8 o 50.41358 1.836794  29.22203 1.423729   29.10000 2.400000   29.40000 3.500000   50.32977 2.082217   50.49738   3.026487 -0.1676102 3.673589 
1 1 1   24    6    9 o 104.0701 1.750124  122.8132 2.565789   118.4000 3.900000   131.3000 7.500000   101.5469 1.677018   106.5933   3.072353 -5.046379 3.500249 
1 1 1   24    6   10 o 51.46049 1.998286  30.56923 1.538462   30.30000 2.500000   31.00000 4.000000   51.28481 2.128585   51.63618   3.382560 -0.3513756 3.996572 
1 1 1   24    6   11 o 19.12657 4.139772  4.385484 1.388710   5.300000 2.100000   2.600000 4.100000   20.73127 4.548174   17.52187   6.918450 3.209396 8.279544 
1 1 1   24    6   12 o 22.80895 4.327054  6.366666 1.466667   5.700000 2.200000   7.700000 4.400000   21.42261 4.620090   24.19530   7.317673 -2.772692 8.654107 
1 1 1   24    6   13 o 21.68724 4.333118  6.012500 1.500000   4.400000 2.400000   8.700000 4.000000   18.36787 5.367907   25.00661   6.803618 -6.638737 8.666236 
1 1 1   24    6   14 o 17.78999 3.981552  3.417391 1.643478   6.900000 2.700000  -2.000000 4.200000   22.74788 5.283828   12.83210   5.957533 9.915785 7.963105 
1 1 1   24    6   15 o 13.59696 4.282366 0.5535210 1.478873 -0.6000000 2.100000   3.300000 5.000000   9.798490 4.419501   17.39544   7.336392 -7.596948 8.564733 
1 1 1   24    8    0 o 68.85970 1.547937  53.89565 1.695652   50.20000 3.000000   58.70000 3.900000   66.17645 1.979509   71.54293   2.380332 -5.366478 3.095874 
1 1 1   24    8    1 o 61.13164 2.071726  42.71098 2.030488   40.50000 3.700000   45.40000 4.500000   59.39870 2.719972   62.86458   3.125692 -3.465874 4.143453 
1 1 1   24    8    2 o 54.90992 1.996150  34.63803 1.774648   33.80000 3.500000   35.50000 3.600000   54.23666 2.817830   55.58318   2.828126 -1.346512 3.992301 
1 1 1   24    8    3 o 25.89856 3.697769  8.020000 1.493333   6.900000 2.800000   9.300000 3.200000   23.92474 5.254138   27.87238   5.204614 -3.947641 7.395537 
1 1 1   24    8    4 o 118.5483 1.747087  161.5746 3.343284   162.1000 6.400000   161.0000 7.000000   118.7715 2.352922   118.3251   2.583216 0.4463348 3.494174 
1 1 1   24    8    5 o 90.71820 1.412378  94.45422 2.072289   97.20000 4.300000   91.90000 4.000000   91.98347 2.041260   89.45293   1.952563 2.530540 2.824756 
1 1 1   24    8    6 o 59.31905 2.223155  38.48140 1.982558   31.20000 3.100000   51.40000 5.500000   52.03708 2.601289   66.60104   3.605964 -14.56396 4.446311 
1 1 1   24    8    7 o 13.32432 4.285705 -1.190000 1.680000 -0.2000000 2.400000  -3.500000 5.600000   11.47021 4.965040   15.17843   6.986947 -3.708221 8.571409 
1 1 1   24    8    8 o 22.79007 4.395375  6.502985 1.671642   7.600000 3.500000   5.500000 3.200000   24.54393 6.219189   21.03620   6.212807 3.507734 8.790750 
1 1 1   24    8    9 o 77.81589 1.817508  70.10000 2.228571   68.30000 3.900000   72.50000 5.200000   76.80262 2.217320   78.82915   2.880422 -2.026527 3.635016 
1 1 1   24    8   10 o 24.00258 4.131018  7.446875 1.560938   7.700000 2.700000   7.100000 3.700000   24.78436 4.930412   23.22080   6.629652 1.563562 8.262036 
1 1 1   24    8   11 o 39.14558 2.408484  18.50000 1.493333   20.60000 2.800000   16.10000 3.200000   41.76271 2.927582   36.52844   3.825238 5.234264 4.816968 
1 1 1   24    8   12 o 14.91475 4.277870  1.850000 1.650000   3.200000 3.300000  0.5000000 3.300000   16.47318 6.288142   13.35632   5.801719 3.116861 8.555739 
1 1 1   24    8   13 o 16.06360 4.154288 0.4766234 1.922078   7.300000 3.700000  -6.900000 4.000000   22.19207 6.710066   9.935132   4.899739 12.25694 8.308576 
1 1 1   24   10    0 o 101.9726 1.722319  119.9142 2.798230   121.9000 5.100000   117.5000 6.200000   102.9659 2.162801   100.9794   2.681012 1.986534 3.444638 
1 1 1   24   10    1 o 31.36872 2.892734  11.22203 1.440678   9.400000 2.500000   13.70000 3.400000   28.45277 3.836676   34.28467   4.330307 -5.831902 5.785468 
1 1 1   24   10    2 o 36.45255 2.508956  15.45424 1.464407   15.50000 2.700000   15.40000 3.200000   36.55969 3.224787   36.34541   3.844502 0.2142792 5.017913 
1 1 1   24   10    3 o 21.79049 3.998242  5.789474 1.389474   6.600000 3.300000   5.200000 2.400000   23.02308 6.144373   20.55789   5.117659 2.465189 7.996484 
1 1 1   24   10    4 o 79.35959 1.659305  72.62000 2.101177   71.10000 3.800000   74.50000 4.700000   78.50210 2.113693   80.21709   2.558413 -1.714989 3.318611 
1 1 1   24   10    5 o 31.41294 3.526245  11.87857 1.727143   9.000000 3.100000   15.50000 3.900000   26.87626 5.224724   35.94961   4.737074 -9.073345 7.052490 
1 1 1   24   10    6 o 35.79064 2.737455  15.90678 1.440678   19.00000 2.500000   11.70000 3.400000   40.40322 2.701865   31.17806   4.761783 9.225166 5.474911 
1 1 1   24   10    7 f 28.42731 3.553191  10.32222 1.555556   4.500000 2.800000   17.60000 3.500000   18.65909 5.872879   38.19554   4.001244 -19.53646 7.106382 
1 1 1   24   10    8 o 18.13010 3.392990  2.120000 1.493333  -4.600000 2.800000   9.800000 3.200000   8.755637 4.272496   27.50457   5.272126 -18.74894 6.785981 
1 1 1   24   10    9 o 20.38491 3.941992  5.611111 1.348148   4.600000 2.600000   6.700000 2.800000   18.48675 5.632751   22.28306   5.516278 -3.796314 7.883984 
1 1 1   24   10   10 o 19.35760 3.954377  4.749153 1.454237   9.000000 3.300000   1.400000 2.600000   25.53582 5.777865   13.17939   5.400432 12.35643 7.908754 
1 1 1   24   12    0 o 22.33716 4.996210  6.455555 2.000000   5.700000 3.600000   7.400000 4.500000   21.05850 6.662816   23.61582   7.446836 -2.557325 9.992420 
1 1 1   24   12    1 o 18.07227 4.602308  3.898551 1.707246   3.000000 3.100000   5.000000 3.800000   16.42729 6.133277   19.71724   6.863516 -3.289949 9.204616 
1 1 1   24   12    2 o 19.46655 4.630022  4.688000 1.874667   7.500000 3.700000   1.800000 3.800000   23.32429 6.619420   15.60881   6.475467 7.715471 9.260043 
1 1 1   24   12    3 o 45.01196 3.470691  25.01980 2.435643   29.00000 6.000000   22.30000 4.100000   47.42151 5.524787   42.60241   4.202323 4.819103 6.941383 
1 1 1   24   12    4 o 18.53798 4.554603  4.561765 1.698529   5.900000 3.500000   3.300000 3.300000   20.47373 6.579416   16.60224   6.299915 3.871492 9.109206 
1 1 1   24   12    5 o 16.80516 4.677823  3.168000 1.872000   4.000000 3.900000   2.400000 3.600000   17.87129 6.832562   15.73903   6.390946 2.132263 9.355645 
1 1 1   24   12    6 o 15.78581 4.561840  1.773077 1.903846  -1.400000 3.300000   6.100000 4.500000   11.52201 5.325029   20.04962   7.408482 -8.527605 9.123680 
1 1 1   25    1    0 o 488.7043 4.012357  2738.559 31.73228   2716.200 62.00000   2762.000 65.00000   486.6762 5.562773   490.7324   5.783734 -4.056183 8.024714 
1 1 1   25    1    1 o 148.6637 1.505951  253.0034 3.620690   248.9000 7.000000   257.4000 7.500000   147.4166 2.073439   149.9107   2.184582 -2.494095 3.011901 
1 1 1   25    1    2 f 232.9940 2.014528  621.9879 7.599671   627.7000 15.10000   616.2000 15.30000   234.0725 2.816867   231.9156   2.880720 2.156830 4.029056 
1 1 1   25    1    3 o 387.6373 3.266994  1724.098 20.49695   1752.300 40.50000   1695.200 41.50000   390.8617 4.524511   384.4130   4.714002 6.448730 6.533989 
1 1 1   25    1    4 o 24.11213 2.542351  6.852632 0.9473684   7.800000 1.800000   5.800000 2.000000   26.08766 3.012847   22.13660   4.095966 3.951059 5.084701 
1 1 1   25    1    5 o 226.3531 2.114824  587.2703 7.749677   567.3000 15.40000   607.5000 15.60000   222.4769 3.022563   230.2292   2.958720 -7.752228 4.229647 
1 1 1   25    1    6 o 85.23860 1.377564  83.28027 1.898684   84.40000 3.700000   82.10000 3.900000   85.82906 1.882379   84.64815   2.011810 1.180916 2.755128 
1 1 1   25    1    7 o 72.70773 1.571310  60.60000 1.850000   60.00000 3.700000   61.20000 3.700000   72.34739 2.233154   73.06807   2.211128 -0.7206802 3.142620 
1 1 1   25    1    8 o 48.60814 2.451598  27.67568 1.763514   25.00000 4.500000   29.40000 2.900000   46.59526 4.217067   50.62102   2.501536 -4.025757 4.903196 
1 1 1   25    1    9 o 67.46698 1.533247  52.13284 1.671642   57.20000 3.500000   47.50000 3.200000   70.59922 2.164751   64.33473   2.171922 6.264488 3.066495 
1 1 1   25    1   10 o 45.52241 1.976198  23.86897 1.448276   27.80000 3.000000   20.20000 2.800000   49.15952 2.664731   41.88530   2.919014 7.274223 3.952395 
1 1 1   25    1   11 o 124.6098 1.560946  177.9222 3.130159   188.5000 6.800000   168.9000 5.800000   128.0016 2.319708   121.2181   2.089297 6.783424 3.121891 
1 1 1   25    1   12 o 73.23340 1.728799  61.86586 2.048780   58.50000 4.000000   65.40000 4.200000   71.19060 2.453449   75.27621   2.436303 -4.085609 3.457598 
1 1 1   25    1   13 o 39.83890 2.481003  18.59688 1.598437   18.50000 3.100000   18.70000 3.300000   39.75846 3.404645   39.91934   3.609693 -0.1608810 4.962005 
1 1 1   25    1   14 o 36.81953 2.390672  15.93509 1.424561   15.10000 2.800000   16.80000 2.900000   35.82876 3.412447   37.81030   3.349097 -1.981533 4.781343 
1 1 1   25    1   15 o 25.82095 3.267563  8.434615 1.269231   8.900000 2.200000   7.800000 3.000000   27.26382 3.523512   24.37808   5.503883 2.885740 6.535126 
1 1 1   25    1   16 o 18.76021 4.756907  4.593421 1.898684   2.900000 3.900000   6.200000 3.700000   16.61298 6.684681   20.90743   6.769617 -4.294445 9.513815 
1 1 1   25    1   17 f 37.87679 3.081129  18.66438 1.821918   22.50000 3.500000   14.50000 3.800000   42.65938 3.582558   33.09421   5.013850 9.565170 6.162257 
1 1 1   25    3    0 o 299.4026 2.918927  1038.969 12.94597   1076.300 21.10000   979.7000 33.50000   306.5075 3.005945   292.2978   5.004481 14.20975 5.837853 
1 1 1   25    3    1 o 176.0979 1.956011  358.3111 5.133333   368.5000 8.400000   342.3000 13.20000   179.3659 2.044933   172.8300   3.334991 6.535950 3.912021 
1 1 1   25    3    2 o 109.1950 1.510945  139.3412 2.408823   147.6000 3.900000   126.0000 6.300000   113.5233 1.500098   104.8668   2.623266 8.656464 3.021889 
1 1 1   25    3    3 o 103.9672 1.511980  123.8000 3.600000   123.8000 3.600000          ?        ?   103.9672 1.511980          ?          ?       ?       ? 
1 1 1   25    3    4 o 286.4700 2.976665  945.6204 12.31224   956.8000 19.40000   926.2000 33.70000   288.9347 2.931850   284.0054   5.181352 4.929321 5.953331 
1 1 1   25    3    5 o 119.2443 2.163180  162.2228 4.131736   172.8000 9.200000   153.6000 7.500000   122.7419 3.272914   115.7467   2.829387 6.995247 4.326361 
1 1 1   25    3    6 f 99.38448 1.619575  114.8176 2.514706   124.7000 4.500000   102.3000 5.700000   104.3176 1.883626   94.45140   2.635155 9.866165 3.239149 
1 1 1   25    3    7 o 97.12077 1.654732  109.7909 2.290909   113.9000 3.600000   102.6000 6.300000   99.69896 1.576709   94.54258   2.909731 5.156380 3.309463 
1 1 1   25    3    8 o 128.8375 1.841660  185.1257 3.207432   174.9000 4.700000   207.1000 10.10000   123.5129 1.661595   134.1621   3.287239 -10.64921 3.683319 
1 1 1   25    3    9 o 148.6659 1.990952  252.3484 4.142935   248.0000 6.300000   260.7000 12.10000   147.0099 1.871258   150.3219   3.514818 -3.312012 3.981903 
1 1 1   25    3   10 f 31.22070 2.450336  11.55745 1.110638   12.40000 1.800000   10.20000 2.900000   32.82691 2.394320   29.61450   4.275957 3.212416 4.900671 
1 1 1   25    3   11 o 71.03867 1.615251  59.32917 1.765278   65.40000 3.100000   51.30000 4.100000   75.42968 1.794565   66.64767   2.686201 8.782013 3.230502 
1 1 1   25    3   12 o 45.97912 2.358474  23.36000 1.577143   20.00000 2.400000   29.80000 4.600000   41.58154 2.520290   50.37670   3.987198 -8.795162 4.716949 
1 1 1   25    3   13 o 75.83850 1.740753  66.71220 1.874390   66.50000 2.900000   67.10000 5.300000   75.95810 1.667108   75.71889   3.056408 0.2392044 3.481505 
1 1 1   25    3   14 o 51.32493 2.537277  32.19125 1.898750   34.40000 3.100000   28.70000 4.900000   54.21976 2.496570   48.43011   4.417945 5.789650 5.074554 
1 1 1   25    3   15 o 16.82795 4.108009  3.055224 1.591045   5.500000 2.600000 -0.8000000 4.100000   20.17618 5.483530   13.47972   6.118321 6.696461 8.216018 
1 1 1   25    3   16 o 20.82082 4.597776  5.894203 1.594203   4.300000 2.500000   8.700000 4.400000   17.78692 5.541396   23.85471   7.338333 -6.067789 9.195553 
1 1 1   25    5    0 o 92.15981 1.452422  97.14651 2.108140   96.20000 3.700000   98.40000 4.900000   91.64402 1.762939   92.67559   2.308716 -1.031570 2.904845 
1 1 1   25    5    1 o 200.8597 2.060881  462.0881 6.686567   468.2000 14.00000   456.5000 12.80000   202.1244 3.024468   199.5949   2.800272 2.529541 4.121763 
1 1 1   25    5    2 o 89.18896 1.522339  90.82386 2.189773   97.50000 4.700000   85.00000 4.100000   92.24510 2.224817   86.13284   2.078523 6.112267 3.044678 
1 1 1   25    5    3 o 377.2670 3.320364  1635.746 20.26141   1645.000 39.50000   1626.000 41.60000   378.4007 4.558110   376.1332   4.829379 2.267487 6.640728 
1 1 1   25    5    4 o 104.2762 1.393231  124.7000 2.350000   131.5000 4.700000   117.9000 4.700000   107.1237 1.915808   101.4287   2.023377 5.695000 2.786463 
1 1 1   25    5    5 o 16.45383 3.759907  1.280597 1.540299   5.400000 2.400000  -6.100000 4.300000   21.22154 5.017310   11.68613   5.601268 9.535411 7.519814 
1 1 1   25    5    6 o 40.32302 2.841383  19.11324 1.451470   19.70000 2.100000   17.80000 4.700000   41.43677 2.212958   39.20927   5.234182 2.227505 5.682767 
1 1 1   25    5    7 o 149.6424 1.861235  260.0800 4.200000   270.4000 7.000000   244.6000 10.50000   153.5094 1.991144   145.7754   3.145175 7.734024 3.722469 
1 1 1   25    5    8 o 114.7054 1.741555  150.0097 2.777419   147.3000 4.200000   155.3000 8.200000   113.3202 1.618384   116.0907   3.084297 -2.770477 3.483110 
1 1 1   25    5    9 o 47.10438 2.137383  24.49531 1.410937   22.10000 2.100000   29.40000 4.300000   43.84711 2.091308   50.36165   3.728278 -6.514538 4.274766 
1 1 1   25    5   10 o 17.27147 3.841851  2.674194 1.491935   5.900000 2.500000  -2.100000 3.700000   21.91054 5.080982   12.63239   5.763930 9.278146 7.683702 
1 1 1   25    5   11 o 39.96033 2.351912  18.42131 1.504918   15.50000 2.700000   22.10000 3.400000   36.44690 3.234766   43.47377   3.415005 -7.026867 4.703825 
1 1 1   25    5   12 o 12.84402 3.940947 -0.1859375 1.473437   1.000000 2.300000  -2.300000 4.100000   12.64423 5.117378   13.04381   5.994723 -0.3995800 7.881895 
1 1 1   25    5   13 o 11.94416 3.484571 -1.543750 1.375000   2.300000 2.000000  -10.00000 4.400000   14.09770 4.974355   9.790614   4.881057 4.307089 6.969141 
1 1 1   25    5   14 o 22.99507 3.775558  6.662500 1.312500   4.600000 2.100000   10.10000 3.500000   18.69728 4.859636   27.29285   5.779559 -8.595562 7.551117 
1 1 1   25    5   15 o 15.01345 4.001444  2.394737 1.414035   3.900000 2.600000  0.6000000 3.100000   17.02962 5.683251   12.99728   5.634436 4.032350 8.002888 
1 1 1   25    7    0 o 158.4686 2.415283  286.2541 5.822951   297.9000 14.80000   278.7000 9.600000   161.0383 4.013029   155.8988   2.688859 5.139435 4.830566 
1 1 1   25    7    1 o 134.7645 1.674324  207.7329 3.625342   201.4000 6.700000   215.2000 7.900000   132.5438 2.207268   136.9853   2.518216 -4.441483 3.348648 
1 1 1   25    7    2 o 97.58722 1.498413  109.4021 2.323404   111.1000 4.200000   107.3000 5.200000   98.45092 1.862813   96.72353   2.347529 1.727394 2.996825 
1 1 1   25    7    3 o 33.95627 2.969965  13.32308 1.615385   13.60000 3.000000   13.00000 3.500000   34.36077 3.812396   33.55177   4.555041 0.8090057 5.939930 
1 1 1   25    7    4 o 37.37843 2.356409  15.87500 1.312500   15.20000 2.100000   17.00000 3.500000   36.37666 2.520787   38.38019   3.981994 -2.003525 4.712817 
1 1 1   25    7    5 o 35.37524 2.363219  14.42593 1.348148   12.50000 2.600000   16.50000 2.800000   32.91577 3.449125   37.83470   3.231525 -4.918926 4.726438 
1 1 1   25    7    6 o 68.06538 1.676883  53.69041 1.808219   56.90000 3.300000   49.80000 4.000000   70.37197 2.047642   65.75878   2.656109 4.613190 3.353767 
1 1 1   25    7    7 o 64.45354 1.661901  48.51176 1.686765   53.80000 3.100000   42.20000 3.700000   68.41273 1.978630   60.49434   2.670710 7.918385 3.323803 
1 1 1   25    7    8 o 24.16259 3.450041  7.109434 1.324528   5.000000 2.600000   9.300000 2.700000   20.15584 5.485833   28.16933   4.185303 -8.013493 6.900082 
1 1 1   25    7    9 o 57.99422 2.048385  38.95325 1.916883   35.40000 3.600000   43.00000 4.100000   55.19129 2.848208   60.79715   2.944695 -5.605865 4.096769 
1 1 1   25    7   10 o 53.17228 2.124650  33.04657 1.816438   33.10000 3.900000   33.00000 3.400000   53.13768 3.204806   53.20687   2.790300 -0.6919098E-01 4.249300 
1 1 1   25    7   11 o 21.19177 3.559623  5.958209 1.477612   9.800000 2.200000  -1.900000 4.500000   28.70661 3.346420   13.67694   6.283720 15.02967 7.119246 
1 1 1   25    7   12 o 40.87196 2.976296  19.69615 1.765385   17.10000 2.700000   24.60000 5.100000   37.83616 3.115993   43.90775   5.071877 -6.071587 5.952591 
1 1 1   25    7   13 o 14.81498 3.958425  2.401887 1.188679   2.300000 1.800000   2.600000 3.500000   13.76748 4.727673   15.86248   6.350246 -2.095005 7.916850 
1 1 1   25    9    0 o 43.11028 2.462931  21.60000 1.700000   17.90000 3.400000   25.30000 3.400000   39.36261 3.771679   46.85794   3.168367 -7.495327 4.925862 
1 1 1   25    9    1 o 51.83753 2.581888  30.98721 2.108140   30.60000 3.700000   31.50000 4.900000   51.52291 3.135747   52.15215   4.102642 -0.6292305 5.163776 
1 1 1   25    9    2 o 31.86386 3.398101  12.95484 1.524194   16.70000 2.700000   8.100000 3.500000   38.03082 3.100044   25.69692   6.047981 12.33390 6.796201 
1 1 1   25    9    3 o 18.99363 4.487389  3.953846 1.513846   3.400000 2.400000   4.900000 4.100000   17.11347 5.442890   20.87378   7.135936 -3.760309 8.974777 
1 1 1   25    9    4 o 46.70908 1.883159  25.14211 1.421053   23.20000 2.700000   27.30000 3.000000   44.81489 2.630760   48.60327   2.695228 -3.788380 3.766318 
1 1 1   25    9    5 f 22.33938 3.808683  6.100000 1.474576   3.100000 3.000000   9.000000 2.900000   17.05069 6.084141   27.62807   4.583395 -10.57738 7.617367 
1 1 1   25    9    6 o 17.02340 4.162948  3.112500 1.312500   2.100000 2.100000   4.800000 3.500000   14.15425 5.086131   19.89255   6.591798 -5.738297 8.325895 
1 1 1   25    9    7 o 12.77132 3.827493 0.2454545 1.338182 -0.8000000 2.300000   1.700000 3.200000   10.43626 4.672757   15.10638   6.063345 -4.670120 7.654986 
1 1 1   25    9    8 o 27.28898 3.243134  9.200001 1.400000   9.800000 2.800000   8.600000 2.800000   28.45149 4.297271   26.12648   4.858511 2.325016 6.486268 
1 1 1   25    9    9 o 16.44888 4.266648  2.262500 1.500000 -0.4000000 2.400000   6.700000 4.000000   10.91240 4.836406   21.98536   7.030385 -11.07296 8.533296 
1 1 1   25    9   10 o 58.37254 2.195524  40.72289 2.072289   40.00000 4.000000   41.50000 4.300000   57.90499 3.016364   58.84008   3.191059 -0.9350967 4.391049 
1 1 1   25    9   11 o 13.11970 4.023984 0.6187500 1.575000   1.100000 2.800000   0.000000 3.600000   13.06264 5.498539   13.17675   5.876721 -0.1141024 8.047968 
1 1 1   25   11    0 o 10.26066 3.321503 -1.552000 1.242000  -1.000000 2.300000  -2.200000 2.700000   10.28522 4.633384   10.23611   4.760388 0.4911327E-01 6.643007 
1 1 1   25   11    1 o 13.34692 3.454594 0.2519999 1.248000   3.900000 2.400000  -3.700000 2.600000   17.77316 5.410982   8.920694   4.296295 8.852461 6.909188 
1 1 1   25   11    2 o 32.45811 2.959190  12.52581 1.535484   12.30000 2.800000   12.80000 3.400000   32.24714 3.791461   32.66909   4.544452 -0.4219589 5.918380 
1 1 1   25   11    3 o 27.39875 3.330333  9.113793 1.434483   7.500000 2.600000   11.10000 3.200000   24.49774 4.806008   30.29975   4.611589 -5.802010 6.660666 
1 1 1   25   11    4 o 17.92332 4.063096  3.274627 1.665672   7.300000 3.100000  -1.400000 3.600000   23.40327 5.810714   12.44337   5.680720 10.95990 8.126191 
1 1 1   25   11    5 o 26.63635 3.642798  9.157377 1.514754   8.400000 3.300000   9.800000 2.800000   25.03682 5.859204   28.23588   4.330085 -3.199064 7.285596 
1 1 1   25   11    6 o 16.81799 4.878543  2.800000 1.933333   2.800000 2.900000   2.800000 5.800000   15.59064 5.908244   18.04534   7.764882 -2.454700 9.757087 
1 1 1   25   11    7 o 26.26779 4.389173  9.348648 1.783784   7.200000 3.000000   12.50000 4.400000   22.91067 5.731921   29.62490   6.648641 -6.714228 8.778345 
1 1 1   25   11    8 o 33.95990 4.082638  17.26543 2.017284   25.10000 3.800000   8.400000 4.300000   44.96881 3.689877   22.95099   7.283992 22.01782 8.165277 
1 1 1   25   13    0 o 15.34031 4.292535  2.373437 1.598437   3.100000 3.100000   1.600000 3.300000   16.17916 6.114042   14.50147   6.026766 1.677699 8.585070 
1 1 1   25   13    1 o 23.61217 4.112100  7.998611 1.765278   3.500000 4.100000   11.40000 3.100000   17.20334 6.877990   30.02101   4.508958 -12.81766 8.224199 
1 1 1   25   13    2 o 15.40808 4.417650  1.202667 1.818667  -2.600000 3.100000   6.600000 4.400000   10.29052 4.882672   20.52563   7.363563 -10.23510 8.835300 
1 1 1   26    0    0 o 193.5413 2.460088  429.2000 10.90000   429.2000 10.90000   429.2000 10.90000   193.5413 2.460088   193.5413   2.460088 0.000000 0.000000 
1 1 1   26    0    1 o 80.77759 1.514787  74.80000 2.800000   74.80000 2.800000   74.80000 2.800000   80.77759 1.514787   80.77759   1.514787 0.000000 0.000000 
1 1 1   26    0    2 o 413.0587 4.716179  1956.200 44.60000   1956.200 44.60000   1956.200 44.60000   413.0587 4.716179   413.0587   4.716179 0.000000 0.000000 
1 1 1   26    0    3 o 71.10249 1.721823  58.00000 2.800000   58.00000 2.800000   58.00000 2.800000   71.10249 1.721823   71.10249   1.721823 0.000000 0.000000 
1 1 1   26    0    4 o 197.4077 2.588987  446.6000 11.70000   446.6000 11.70000   446.6000 11.70000   197.4077 2.588987   197.4077   2.588987 0.000000 0.000000 
1 1 1   26    0    5 o 65.26054 2.957861  49.10000 4.400000   49.10000 4.400000   49.10000 4.400000   65.26054 2.957861   65.26054   2.957861 0.000000 0.000000 
1 1 1   26    0    6 o 6.276242 4.420068 -2.900000 2.500000  -2.900000 2.500000  -2.900000 2.500000   6.276242 4.420068   6.276242   4.420068 0.000000 0.000000 
1 1 1   26    0    7 o 44.15968 2.692728  22.60000 2.700000   22.60000 2.700000   22.60000 2.700000   44.15968 2.692728   44.15968   2.692728 0.000000 0.000000 
1 1 1   26    0    8 o 9.712634 6.085256 0.6000000 2.800000  0.6000000 2.800000  0.6000000 2.800000   9.712634 6.085256   9.712634   6.085256 0.000000 0.000000 
1 1 1   26    0    9 o 37.74999 2.691870  16.60000 2.300000   16.60000 2.300000   16.60000 2.300000   37.74999 2.691870   37.74999   2.691870 0.000000 0.000000 
1 1 1   26    0   10 o 160.6690 2.256727  296.4000 8.300000   296.4000 8.300000   296.4000 8.300000   160.6690 2.256727   160.6690   2.256727 0.000000 0.000000 
1 1 1   26    0   11 o 9.305090 5.933864 0.3000000 2.800000  0.3000000 2.800000  0.3000000 2.800000   9.305090 5.933864   9.305090   5.933864 0.000000 0.000000 
1 1 1   26    0   12 o 7.329139 4.910790 -0.8000000 2.300000 -0.8000000 2.300000 -0.8000000 2.300000   7.329139 4.910790   7.329139   4.910790 0.000000 0.000000 
1 1 1   26    0   13 o 27.60472 3.659456  9.300000 2.200000   9.300000 2.200000   9.300000 2.200000   27.60472 3.659456   27.60472   3.659456 0.000000 0.000000 
1 1 1   26    0   14 o 14.82492 7.129486  4.000000 2.800000   4.000000 2.800000   4.000000 2.800000   14.82492 7.129486   14.82492   7.129486 0.000000 0.000000 
1 1 1   26    0   15 o 15.23620 6.906030  4.200000 2.600000   4.200000 2.600000   4.200000 2.600000   15.23620 6.906030   15.23620   6.906030 0.000000 0.000000 
1 1 1   26    0   16 o 12.41100 6.742072  2.900000 2.700000   2.900000 2.700000   2.900000 2.700000   12.41100 6.742072   12.41100   6.742072 0.000000 0.000000 
1 1 1   26    2    0 o 105.0510 1.426507  126.8239 2.055435   127.7000 3.100000   125.1000 6.100000   105.5988 1.281865   104.5031   2.548826 1.095673 2.853015 
1 1 1   26    2    1 o 402.7178 3.849123  1857.516 22.35810   1847.800 35.00000   1874.700 61.90000   401.4912 3.806551   403.9443   6.691274 -2.453094 7.698246 
1 1 1   26    2    2 o 149.5562 1.801370  258.6808 3.871856   265.0000 6.100000   247.7000 10.60000   152.1049 1.751162   147.0075   3.148518 5.097458 3.602739 
1 1 1   26    2    3 o 347.6572 3.337052  1398.886 17.26135   1438.800 28.20000   1335.900 44.50000   354.2727 3.475771   341.0418   5.697602 13.23090 6.674103 
1 1 1   26    2    4 o 42.12293 2.040492  19.80000 1.272727   18.20000 2.000000   22.60000 3.500000   39.85485 2.191233   44.39101   3.442807 -4.536163 4.080983 
1 1 1   26    2    5 o 87.41072 1.552378  88.78000 2.040000   93.30000 3.400000   82.00000 5.100000   90.24616 1.645091   84.57529   2.633094 5.670876 3.104756 
1 1 1   26    2    6 o 282.2927 2.932440  918.0874 12.01741   923.6000 19.00000   908.6000 32.70000   283.7273 2.924100   280.8581   5.083941 2.869171 5.864880 
1 1 1   26    2    7 o 42.58696 2.447039  20.94154 1.513846   21.20000 2.400000   20.50000 4.100000   42.98634 2.437926   42.18758   4.243644 0.7987556 4.894078 
1 1 1   26    2    8 o 77.67445 1.792367  69.54186 1.953488   70.10000 3.000000   68.50000 5.600000   78.19005 1.675365   77.15887   3.169143 1.031181 3.584734 
1 1 1   26    2    9 o 87.58635 1.459002  87.58395 1.913580   85.90000 3.100000   90.30000 5.000000   86.54395 1.564101   88.62875   2.463401 -2.084801 2.918005 
1 1 1   26    2   10 o 64.51856 1.811537  49.55833 1.750000   56.10000 3.000000   40.40000 4.200000   69.88734 1.874401   59.14978   3.100529 10.73755 3.623073 
1 1 1   26    2   11 o 42.41509 2.282005  20.23333 1.507936   16.90000 2.500000   25.30000 3.800000   38.21253 2.856761   46.61766   3.559368 -8.405125 4.564010 
1 1 1   26    2   12 o 37.04320 2.186430  16.06923 1.292308   16.90000 2.400000   15.10000 2.800000   38.15337 2.746743   35.93303   3.402545 2.220345 4.372860 
1 1 1   26    2   13 o 14.09612 4.227356 0.4363637 1.527273 -0.8000000 2.400000   2.600000 4.200000   10.69132 4.781081   17.50092   6.973050 -6.809599 8.454712 
1 1 1   26    2   14 o 15.45080 3.805322  2.734000 1.218000   3.700000 2.100000   1.400000 2.900000   16.97545 5.037781   13.92614   5.704618 3.049311 7.610644 
1 1 1   26    2   15 o 25.77306 4.452433  8.841891 1.714865   7.200000 2.700000   11.70000 4.700000   23.30733 5.191465   28.23880   7.235007 -4.931475 8.904866 
1 1 1   26    2   16 o 15.81632 4.443629  2.918841 1.663768   3.000000 2.800000   2.800000 4.100000   15.46718 5.818295   16.16546   6.717946 -0.6982765 8.887258 
1 1 1   26    4    0 o 168.9639 1.731365  327.5476 4.714286   335.5000 9.000000   318.8000 9.900000   171.1266 2.296491   166.8012   2.591646 4.325348 3.462730 
1 1 1   26    4    1 o 86.14325 1.875513  85.00000 3.700000   85.00000 3.700000          ?        ?   86.14325 1.875513          ?          ?       ?       ? 
1 1 1   26    4    2 o 71.06245 1.432372  57.81250 1.500000   57.70000 2.400000   58.00000 4.000000   70.97768 1.476485   71.14722   2.454945 -0.1695480 2.864745 
1 1 1   26    4    3 o 139.3783 1.827065  224.1968 3.573248   227.7000 5.500000   217.7000 10.20000   140.9837 1.703466   137.7729   3.232780 3.210876 3.654130 
1 1 1   26    4    4 o 130.2207 1.765704  196.0671 3.335665   200.7000 5.300000   188.2000 9.000000   132.3529 1.748566   128.0885   3.068119 4.264465 3.531407 
1 1 1   26    4    5 o 104.1326 1.636180  123.7131 2.478505   122.0000 3.900000   126.7000 6.800000   103.1839 1.650412   105.0812   2.825683 -1.897362 3.272361 
1 1 1   26    4    6 o 60.72983 1.837381  41.99286 1.607143   41.10000 2.500000   43.60000 4.500000   59.87296 1.823262   61.58670   3.190548 -1.713737 3.674763 
1 1 1   26    4    7 o 82.26266 1.807814  78.32022 1.880899   79.20000 2.700000   76.30000 6.200000   83.12390 1.418331   81.40144   3.325824 1.722466 3.615629 
1 1 1   26    4    8 o 81.78944 1.563711  77.18750 1.875000   78.20000 3.000000   75.50000 5.000000   82.57140 1.586468   81.00748   2.695160 1.563911 3.127422 
1 1 1   26    4    9 o 75.07826 1.621265  65.15195 1.851948   66.40000 3.100000   63.30000 4.600000   76.04412 1.780064   74.11240   2.710233 1.931725 3.242529 
1 1 1   26    4   10 o 13.46451 3.774620  1.246939 1.224490   1.400000 2.500000   1.100000 2.400000   13.77754 5.414349   13.15147   5.260784 0.6260700 7.549240 
1 1 1   26    4   11 o 28.99546 3.057091  10.24815 1.320370   11.10000 2.300000   9.100000 3.100000   30.84233 3.256269   27.14859   5.174932 3.693741 6.114181 
1 1 1   26    4   12 o 39.69997 2.308141  18.55593 1.471186   19.60000 2.800000   17.40000 3.100000   40.95834 2.985076   38.44160   3.521275 2.516739 4.616282 
1 1 1   26    4   13 o 50.91416 1.668382  30.30545 1.374545   30.60000 2.700000   30.00000 2.800000   51.19066 2.303100   50.63766   2.414483 0.5529976 3.336764 
1 1 1   26    4   14 o 15.55302 3.561366  2.016393 1.344262   5.000000 2.000000  -4.100000 4.100000   19.63729 4.538252   11.46874   5.489769 8.168553 7.122731 
1 1 1   26    4   15 o 22.73353 4.391802  7.169444 1.527778   7.200000 2.200000   7.100000 5.000000   24.07140 3.990810   21.39567   7.824650 2.675732 8.783605 
1 1 1   26    6    0 o 52.54265 1.822074  31.65000 1.550000   32.40000 3.100000   30.90000 3.100000   53.16594 2.546056   51.91936   2.607186 1.246578 3.644149 
1 1 1   26    6    1 o 71.96392 1.428812  59.20606 1.612121   58.40000 2.800000   60.30000 3.800000   71.39568 1.712481   72.53216   2.287667 -1.136475 2.857623 
1 1 1   26    6    2 o 183.6769 2.641162  388.0675 7.407792   385.2000 18.40000   390.0000 12.40000   182.9920 4.390617   184.3618   2.936908 -1.369858 5.282324 
1 1 1   26    6    3 o 25.21034 3.677673  7.579661 1.474576   5.800000 3.000000   9.300000 2.900000   22.00719 5.851408   28.41349   4.456697 -6.406301 7.355346 
1 1 1   26    6    4 o 133.1819 1.669294  203.6000 3.600000   201.3000 7.200000   205.9000 7.200000   132.4278 2.374067   133.9360   2.347334 -1.508179 3.338589 
1 1 1   26    6    5 o 56.93602 1.790122  37.21515 1.648485   34.50000 3.200000   40.10000 3.400000   54.79457 2.550070   59.07748   2.513024 -4.282906 3.580244 
1 1 1   26    6    6 o 94.89525 1.447955  103.3966 2.224719   103.1000 4.400000   103.7000 4.500000   94.76015 2.027527   95.03034   2.067712 -0.2701874 2.895911 
1 1 1   26    6    7 o 119.3887 1.708524  164.0341 3.293182   163.7000 6.300000   164.4000 6.900000   119.2884 2.306121   119.4889   2.521513 -0.2005234 3.417048 
1 1 1   26    6    8 o 49.67256 2.424506  27.66493 1.753247   25.00000 2.700000   32.60000 5.000000   46.54175 2.533149   52.80337   4.134739 -6.261620 4.849011 
1 1 1   26    6    9 o 36.02270 2.411622  14.67500 1.312500   13.10000 2.100000   17.30000 3.500000   33.63454 2.726299   38.41086   3.978815 -4.776321 4.823243 
1 1 1   26    6   10 o 27.56170 3.493362  11.95455 1.527273   18.90000 2.400000 -0.2000000 4.200000   40.32011 2.599137   14.80329   6.485276 25.51682 6.986725 
1 1 1   26    6   11 o 24.67624 3.575802  8.527586 1.406897   12.50000 2.400000   2.900000 3.400000   32.58012 3.216609   16.77235   6.387399 15.80776 7.151604 
1 1 1   26    6   12 o 35.60642 2.935597  16.01587 1.507936   18.00000 2.500000   13.00000 3.800000   39.08215 2.793195   32.13070   5.164201 6.951447 5.871193 
1 1 1   26    6   13 o 12.80745 4.096463 -0.8619720 1.695775  -2.400000 2.800000   1.500000 4.300000   9.992607 4.710902   15.62230   6.703093 -5.629691 8.192926 
1 1 1   26    6   14 o 14.59906 4.470555  1.578378 1.504054  0.5000000 2.100000   4.300000 5.300000   11.02441 4.706049   18.17370   7.602405 -7.149297 8.941111 
1 1 1   26    8    0 o 42.30234 2.187969  20.75424 1.454237   21.90000 2.600000   19.30000 3.300000   43.66547 2.600010   40.93921   3.519770 2.726261 4.375937 
1 1 1   26    8    1 o 14.40604 4.202124 0.6184615 1.606154   1.600000 2.900000 -0.6000000 3.600000   14.95559 5.844804   13.85648   6.039011 1.099111 8.404248 
1 1 1   26    8    2 o 43.69156 2.338399  22.01515 1.648485   24.90000 3.400000   19.30000 3.200000   46.48069 3.194082   40.90243   3.416179 5.578259 4.676798 
1 1 1   26    8    3 o 30.41801 3.295785  10.70769 1.615385   9.600000 3.000000   12.00000 3.500000   28.73330 4.559061   32.10271   4.760648 -3.369402 6.591570 
1 1 1   26    8    4 o 35.45649 2.451453  14.56250 1.398214   12.20000 2.700000   17.10000 2.900000   32.45255 3.632910   38.46044   3.292483 -6.007889 4.902905 
1 1 1   26    8    5 o 51.82375 1.809471  31.09333 1.473333   31.70000 2.600000   30.30000 3.400000   52.46703 2.163847   51.18046   2.900778 1.286568 3.618942 
1 1 1   26    8    6 o 42.50149 2.691501  21.09459 1.844595   21.00000 3.500000   21.20000 3.900000   42.44480 3.600670   42.55819   4.001485 -0.1133881 5.383002 
1 1 1   26    8    7 o 15.86448 4.009400      0.08 1.612121  -4.800000 2.800000   6.700000 3.800000   8.816411 4.295613   22.91255   6.771178 -14.09614 8.018800 
1 1 1   26    8    8 o 42.81940 2.306993  21.30625 1.575000   19.60000 2.800000   23.50000 3.600000   40.96030 2.984933   44.67850   3.518387 -3.718204 4.613986 
1 1 1   26    8    9 o 36.97630 2.535625  16.47000 1.498333   14.30000 3.100000   18.50000 2.900000   34.44366 3.929996   39.50895   3.205104 -5.065296 5.071249 
1 1 1   26    8   10 o 39.47487 2.496738  17.85469 1.473437   14.80000 2.300000   23.30000 4.100000   35.35763 2.840432   43.59211   4.106915 -8.234482 4.993476 
1 1 1   26    8   11 o 13.15434 4.006968 0.6064516 1.548387  0.8000000 3.000000  0.4000000 3.200000   13.20126 5.629785   13.10743   5.703394 0.9382820E-01 8.013937 
1 1 1   26    8   12 o 27.06594 3.275998  9.670909 1.370909   10.90000 2.600000   8.300000 2.900000   29.55662 3.841123   24.57525   5.307959 4.981365 6.551997 
1 1 1   26   10    0 o 9.699247 3.261747 -3.076364 1.338182  -2.700000 2.300000  -3.600000 3.200000   8.879001 4.210836   10.51950   4.982453 -1.640494 6.523495 
1 1 1   26   10    1 o 12.83076 3.970829 -0.4593750 1.523438  0.4000000 2.500000  -1.800000 3.900000   12.41261 5.208724   13.24892   5.994924 -0.8363047 7.941657 
1 1 1   26   10    2 o 20.58805 3.748477  4.031250 1.560938  -1.200000 2.700000   11.20000 3.700000   11.10317 5.009299   30.07292   5.577746 -18.96976 7.496954 
1 1 1   26   10    3 o 30.29672 3.603851  11.10580 1.707246   8.500000 3.100000   14.30000 3.800000   26.06559 5.371829   34.52786   4.805666 -8.462276 7.207703 
1 1 1   26   10    4 o 39.81467 2.872298  18.85000 1.850000   19.80000 3.700000   17.90000 3.700000   40.85655 3.954392   38.77278   4.166914 2.083775 5.744596 
1 1 1   26   10    5 o 12.30001 3.796440 -0.1000000 1.414035 -0.1000000 2.600000 -0.1000000 3.100000   11.79573 5.136772   12.80430   5.591546 -1.008563 7.592879 
1 1 1   26   10    6 o 11.20042 3.762174 -3.356164 1.797260  -3.400000 3.200000  -3.300000 4.100000   10.31072 4.911811   12.09012   5.699994 -1.779397 7.524349 
1 1 1   26   10    7 o 23.60873 3.730480  7.865672 1.644776   12.80000 2.900000   1.400000 3.800000   32.30125 3.920292   14.91622   6.348011 17.38503 7.460961 
1 1 1   26   10    8 o 16.30334 3.887500  3.353061 1.212245   4.400000 2.700000   2.500000 2.200000   18.10747 5.774544   14.49922   5.206271 3.608253 7.775000 
1 1 1   26   10    9 o 11.85181 3.358597 -0.1326087 1.141304   3.400000 2.500000  -3.100000 2.100000   15.96323 5.566465   7.740393   3.759676 8.222839 6.717194 
1 1 1   26   12    0 o 12.86111 4.120682 -1.579747 1.883544  0.5000000 3.100000  -4.800000 4.800000   13.24109 5.686687   12.48113   5.965037 0.7599659 8.241364 
1 1 1   26   12    1 o 19.58086 5.098248  4.869412 1.995294   3.100000 3.200000   7.800000 5.300000   16.33714 6.202668   22.82458   8.092926 -6.487442 10.19650 
1 1 1   26   12    2 o 21.32502 5.315395  6.376087 2.116304   5.300000 3.300000   8.300000 5.900000   19.56711 6.396698   23.08292   8.490933 -3.515810 10.63079 
1 1 1   26   12    3 o 26.16802 3.860108  9.109231 1.621538   6.200000 3.100000   12.30000 3.400000   21.14955 6.077782   31.18650   4.760494 -10.03695 7.720216 
1 1 1   26   12    4 o 13.90005 4.240005 0.6657534 1.797260  -1.300000 4.100000   2.200000 3.200000   12.93567 5.963304   14.86443   6.029060 -1.928760 8.480009 
1 1 1   27    1    0 o 145.2074 1.403443  241.0242 3.287879   251.1000 7.000000   232.1000 6.200000   148.0618 2.064405   142.3531   1.901798 5.708649 2.806885 
1 1 1   27    1    1 o 160.0461 1.543328  293.3869 3.999375   298.5000 8.100000   288.4000 7.900000   161.4231 2.191084   158.6692   2.174074 2.753937 3.086656 
1 1 1   27    1    2 f 37.20744 1.533553  15.77027 0.9189189   14.30000 1.700000   17.50000 2.000000   35.33114 2.101024   39.08374   2.234465 -3.752605 3.067105 
1 1 1   27    1    3 o 210.0464 1.999473  505.5515 6.796691   503.4000 13.30000   507.8000 13.90000   209.5927 2.770863   210.5001   2.883382 -0.9073639 3.998947 
1 1 1   27    1    4 o 296.4374 3.198178  1006.910 14.44776   1021.900 36.30000   997.0000 24.00000   298.0872 5.317446   294.7876   3.555018 3.299591 6.396357 
1 1 1   27    1    5 o 50.97627 1.846509  29.55738 1.504918   32.40000 3.400000   27.30000 2.700000   53.15274 2.793142   48.79979   2.415936 4.352951 3.693019 
1 1 1   27    1    6 o 51.31288 1.727381  30.36140 1.424561   26.80000 2.900000   33.80000 2.800000   48.33305 2.619953   54.29272   2.251936 -5.959675 3.454761 
1 1 1   27    1    7 o 60.82543 1.523069  42.42833 1.498333   41.80000 2.900000   43.10000 3.100000   60.36278 2.097821   61.28807   2.208642 -0.9252930 3.046138 
1 1 1   27    1    8 o 77.99091 1.352634  69.64706 1.676471   68.50000 3.000000   71.10000 3.800000   77.28186 1.695053   78.69994   2.108380 -1.418083 2.705267 
1 1 1   27    1    9 o 45.92619 1.889363  24.34643 1.398214   25.60000 2.700000   23.00000 2.900000   47.17104 2.499356   44.68133   2.834077 2.489712 3.778726 
1 1 1   27    1   10 o 44.44582 2.048000  22.65763 1.464407   19.50000 2.700000   26.40000 3.200000   41.08962 2.869270   47.80202   2.923098 -6.712406 4.095999 
1 1 1   27    1   11 o 104.4041 1.478664  125.4600 2.496000   122.1000 4.800000   129.1000 5.200000   102.9658 2.035580   105.8425   2.145274 -2.876770 2.957328 
1 1 1   27    1   12 o 18.08043 4.081238  3.915789 1.403509   5.100000 2.500000   2.400000 3.200000   20.12030 5.337714   16.04057   6.175340 4.079731 8.162476 
1 1 1   27    1   13 o 14.66682 3.485262  2.100000 1.060465  0.2000000 1.900000   4.500000 2.400000   10.55404 4.490075   18.77960   5.331738 -8.225563 6.970524 
1 1 1   27    1   14 o 18.35050 4.148927  4.373684 1.421053   5.900000 3.000000   3.000000 2.700000   20.84557 5.975610   15.85543   5.757298 4.990139 8.297854 
1 1 1   27    1   15 o 21.62651 4.566553  6.581159 1.715942   5.700000 3.200000   7.600000 3.700000   20.22083 6.264410   23.03219   6.646111 -2.811363 9.133105 
1 1 1   27    3    0 o 114.7794 1.520311  151.9532 2.557798   155.0000 4.100000   146.9000 6.800000   116.3322 1.538947   113.2266   2.622407 3.105606 3.040621 
1 1 1   27    3    1 o 110.9892 1.594299  143.4982 2.532110   149.7000 4.000000   132.8000 6.900000   114.3266 1.527751   107.6517   2.798774 6.674843 3.188598 
1 1 1   27    3    2 o 283.3833 2.998574  925.0790 13.31602   947.1000 23.40000   896.0000 30.90000   287.3957 3.555292   279.3708   4.829667 8.024902 5.997148 
1 1 1   27    3    3 o 112.8304 1.656940  146.1638 2.650862   146.8000 4.100000   145.0000 7.500000   113.2045 1.581466   112.4562   2.912174 0.7482605 3.313879 
1 1 1   27    3    4 o 148.5510 1.879285  256.0503 4.032370   264.3000 6.400000   242.0000 10.90000   151.8768 1.840045   145.2252   3.277360 6.651550 3.758571 
1 1 1   27    3    5 o 74.52062 1.572825  62.99730 1.714865   61.10000 2.700000   66.30000 4.700000   73.02226 1.614538   76.01898   2.699700 -2.996719 3.145649 
1 1 1   27    3    6 o 34.08447 2.334035  12.25294 1.058823   10.40000 1.500000   16.70000 3.600000   30.10872 2.175398   38.06023   4.130197 -7.951515 4.668071 
1 1 1   27    3    7 o 52.51309 1.762324  32.62143 1.285714   34.80000 2.000000   28.70000 3.600000   55.09194 1.585191   49.93424   3.148065 5.157700 3.524648 
1 1 1   27    3    8 o 92.96176 1.629481  100.4351 2.196809   103.6000 3.500000   95.10000 5.900000   95.03584 1.608127   90.88769   2.834566 4.148155 3.258963 
1 1 1   27    3    9 o 73.43738 1.480945  62.18840 1.663768   63.00000 2.800000   61.00000 4.100000   74.08418 1.650336   72.79058   2.459509 1.293602 2.961890 
1 1 1   27    3   10 o 50.43877 2.001561  29.70000 1.485714   30.50000 2.400000   28.40000 3.900000   51.46739 2.036192   49.41014   3.446579 2.057247 4.003121 
1 1 1   27    3   11 o 16.63518 3.731660  2.292063 1.431746   5.400000 2.200000  -3.500000 4.100000   20.90044 4.709203   12.36992   5.790039 8.530529 7.463319 
1 1 1   27    3   12 o 10.84646 3.246209 -0.6785714 1.011905  -2.500000 1.700000   2.000000 2.500000   7.204092 3.470687   14.48882   5.486878 -7.284727 6.492418 
1 1 1   27    3   13 o 9.076500 3.163932 -4.265000 1.365000  -3.600000 2.100000  -5.500000 3.900000   7.567205 3.694232   10.58580   5.137558 -3.018590 6.327863 
1 1 1   27    3   14 o 45.34169 2.311748  23.65000 1.580882   19.90000 2.500000   30.10000 4.300000   41.02361 2.661006   49.65976   3.780973 -8.636147 4.623495 
1 1 1   27    3   15 o 13.64489 3.875804  1.733962 1.324528   2.600000 2.700000  0.9000000 2.600000   14.84182 5.682481   12.44796   5.272269 2.393857 7.751607 
1 1 1   27    5    0 o 143.4956 1.657084  236.0000 3.850000   231.2000 7.700000   240.8000 7.700000   142.0349 2.367201   144.9562   2.319496 -2.921280 3.314167 
1 1 1   27    5    1 o 113.2969 1.499701  147.1418 2.749091   144.8000 5.600000   149.4000 5.400000   112.4090 2.175338   114.1849   2.065023 -1.775902 2.999402 
1 1 1   27    5    2 o 35.92081 2.512567  14.85172 1.448276   12.10000 2.800000   17.80000 3.000000   32.45951 3.766654   39.38212   3.326304 -6.922604 5.025135 
1 1 1   27    5    3 o 164.8225 1.752192  311.6353 4.674866   323.8000 9.400000   299.6000 9.300000   168.0267 2.442807   161.6184   2.512649 6.408310 3.504385 
1 1 1   27    5    4 o 87.69151 1.664771  89.60667 2.090000   93.20000 3.300000   83.40000 5.700000   90.17511 1.597964   85.20791   2.921021 4.967201 3.329542 
1 1 1   27    5    5 o 100.1270 1.681310  113.8771 2.365714   111.1000 3.600000   119.2000 6.900000   98.44061 1.596864   101.8135   2.959263 -3.372887 3.362619 
1 1 1   27    5    6 o 108.1828 1.804570  137.0200 2.786667   143.4000 4.400000   126.0000 7.600000   111.8023 1.718469   104.5632   3.173761 7.239044 3.609141 
1 1 1   27    5    7 o 103.9788 1.877687  126.3723 2.687395   130.3000 4.100000   118.9000 7.800000   106.5451 1.680313   101.4126   3.358479 5.132545 3.755373 
1 1 1   27    5    8 o 77.79874 1.903981  71.08222 2.032222   73.70000 3.100000   66.10000 5.900000   80.10111 1.689907   75.49636   3.412446 4.604752 3.807961 
1 1 1   27    5    9 o 57.64841 1.810121  38.44242 1.575758   38.60000 2.600000   38.20000 4.000000   57.90594 1.960604   57.39089   3.043384 0.5150528 3.620242 
1 1 1   27    5   10 o 17.24636 4.277382  3.189831 1.352542   2.300000 2.100000   4.800000 3.800000   14.49867 5.099156   19.99405   6.868960 -5.495384 8.554765 
1 1 1   27    5   11 o 26.41378 4.311973  8.834247 1.610959   8.900000 2.400000   8.700000 4.900000   27.39654 3.825210   25.43102   7.729178 1.965519 8.623945 
1 1 1   27    5   12 o 42.55773 2.663718  20.66892 1.714865   16.40000 2.700000   28.10000 4.700000   37.16426 3.172327   47.95120   4.279944 -10.78694 5.327436 
1 1 1   27    5   13 o 32.28528 3.607259  12.57105 1.740790   9.800000 2.700000   17.60000 4.900000   28.14348 4.189147   36.42708   5.873696 -8.283598 7.214517 
1 1 1   27    5   14 o 19.05036 4.634717  4.457334 1.778667  0.9000000 2.900000   10.10000 4.600000   12.88574 5.516181   25.21499   7.449439 -12.32925 9.269433 
1 1 1   27    7    0 o 147.5544 2.305986  249.5511 5.378995   255.1000 12.40000   245.3000 9.500000   148.9374 3.635446   146.1714   2.837924 2.765930 4.611971 
1 1 1   27    7    1 o 33.37946 2.673320  13.10000 1.400000   9.400000 2.800000   16.80000 2.800000   28.53927 4.284053   38.21965   3.198977 -9.680372 5.346640 
1 1 1   27    7    2 o 58.73582 1.602625  39.43279 1.514754   37.00000 2.800000   42.30000 3.300000   56.77817 2.153358   60.69349   2.374169 -3.915318 3.205250 
1 1 1   27    7    3 o 18.03002 3.819080  3.611111 1.333333   5.700000 2.400000   1.000000 3.000000   21.72520 4.935997   14.33483   5.829016 7.390371 7.638161 
1 1 1   27    7    4 o 96.25122 1.485415  106.7152 2.282609   109.5000 4.200000   103.4000 5.000000   97.66190 1.877863   94.84055   2.302055 2.821358 2.970829 
1 1 1   27    7    5 o 88.25294 1.505242  89.49651 2.145349   88.40000 4.100000   90.70000 4.500000   87.70058 2.041367   88.80531   2.212653 -1.104729 3.010484 
1 1 1   27    7    6 o 23.16514 3.856474  6.612280 1.403509   6.700000 2.500000   6.500000 3.200000   23.44336 4.817578   22.88693   6.023331 0.5564308 7.712948 
1 1 1   27    7    7 o 13.53236 3.840710 0.2396551 1.443103   2.800000 2.700000  -2.700000 3.100000   16.20510 5.773039   10.85962   5.067173 5.345483 7.681421 
1 1 1   27    7    8 o 60.21142 1.997949  42.00000 1.938461   37.80000 3.600000   46.90000 4.200000   56.99136 2.758247   63.43148   2.891240 -6.440121 3.995898 
1 1 1   27    7    9 o 17.28143 3.974312  3.605882 1.262745   3.200000 2.300000   4.100000 2.800000   16.32446 5.340441   18.23840   5.887300 -1.913937 7.948624 
1 1 1   27    7   10 o 16.07314 4.613241  2.236364 1.781818   2.600000 2.800000   1.600000 4.900000   15.43427 5.815876   16.71200   7.162651 -1.277729 9.226482 
1 1 1   27    7   11 o 18.62796 4.007009  4.655556 1.303704   4.900000 2.200000   4.300000 3.200000   19.26337 4.957801   17.99255   6.296403 1.270821 8.014018 
1 1 1   27    7   12 o 17.30534 4.679818  3.620548 1.610959   2.700000 2.400000   5.500000 4.900000   14.89728 5.425181   19.71339   7.626940 -4.816113 9.359636 
1 1 1   27    9    0 o 12.96287 3.924959 -1.032308 1.606154   1.600000 2.900000  -4.300000 3.600000   14.86834 5.835128   11.05741   5.250951 3.810934 7.849917 
1 1 1   27    9    1 o 43.84992 1.999011  22.41072 1.392857   20.00000 3.000000   24.50000 2.600000   41.58479 3.150115   46.11506   2.461899 -4.530270 3.998021 
1 1 1   27    9    2 o 11.17913 3.473700 -2.412500 1.398214  -6.400000 2.900000   1.300000 2.700000   8.350435 4.128230   14.00782   5.587851 -5.657384 6.947400 
1 1 1   27    9    3 o 50.81392 1.645275  29.84444 1.348148   31.00000 2.600000   28.60000 2.800000   51.85918 2.189210   49.76867   2.456641 2.090508 3.290551 
1 1 1   27    9    4 o 29.71701 3.388266  10.74762 1.571429   9.700000 3.300000   11.70000 3.000000   27.96980 5.346758   31.46422   4.163361 -3.494417 6.776533 
1 1 1   27    9    5 o 27.41480 3.596766  8.950000 1.446774   7.800000 2.300000   10.90000 3.900000   25.64087 3.916831   29.18873   6.033685 -3.547865 7.193533 
1 1 1   27    9    6 o 43.68616 2.339586  22.46061 1.648485   19.60000 3.200000   25.50000 3.400000   40.77383 3.426953   46.59849   3.186007 -5.824657 4.679172 
1 1 1   27    9    7 o 17.60051 4.440572  3.835938 1.598437   3.400000 3.100000   4.300000 3.300000   16.87187 6.162518   18.32915   6.395161 -1.457283 8.881144 
1 1 1   27    9    8 o 35.10020 2.795063  15.31935 1.535484   16.90000 2.800000   13.40000 3.400000   37.51007 3.259491   32.69033   4.541501 4.819748 5.590126 
1 1 1   27    9    9 o 40.62482 2.599554  19.70735 1.627941   18.00000 2.700000   22.30000 4.100000   38.82986 3.036251   42.41978   4.220415 -3.589920 5.199108 
1 1 1   27    9   10 f 15.51578 4.282125  2.018462 1.486154 -0.6000000 2.300000   6.800000 4.200000   10.19679 4.609751   20.83478   7.217797 -10.63799 8.564251 
1 1 1   27   11    0 o 16.79660 4.434469  2.760000 1.560000   1.600000 2.600000   4.500000 3.900000   14.04428 5.520807   19.54891   6.941092 -5.504637 8.868938 
1 1 1   27   11    1 o 14.25069 4.207055  1.018462 1.621538  0.6000000 3.400000   1.400000 3.100000   14.05090 5.992773   14.45047   5.906261 -0.3995752 8.414110 
1 1 1   27   11    2 f 20.16051 4.302585  5.418033 1.521312   4.800000 2.900000   6.100000 3.200000   19.06889 5.972770   21.25213   6.194752 -2.183235 8.605169 
1 1 1   27   11    3 o 16.64004 4.530249  2.373973 1.797260 -0.3000000 3.200000   5.800000 4.100000   12.60967 5.586817   20.67040   7.133028 -8.060732 9.060497 
1 1 1   27   11    4 o 16.04923 3.905290  1.976562 1.585938   6.100000 2.900000  -3.000000 3.500000   21.08941 5.816066   11.00906   5.213303 10.08034 7.810580 
1 1 1   27   11    5 o 15.32546 4.315819  2.331250 1.543750   1.600000 2.600000   3.400000 3.800000   13.55964 5.457339   17.09129   6.687498 -3.531647 8.631638 
1 1 1   27   11    6 o 15.44736 4.427415  2.477143 1.748571   1.500000 3.600000   3.400000 3.400000   14.45656 6.166169   16.43817   6.355028 -1.981605 8.854830 
1 1 1   27   13    0 o 19.28450 5.056353  5.638095 2.095238   5.900000 4.400000   5.400000 4.000000   19.57935 7.307601   18.98966   6.990408 0.5896816 10.11271 
1 1 1   28    0    0 o 167.0800 2.248490  319.9000 8.600000   319.9000 8.600000   319.9000 8.600000   167.0800 2.248490   167.0800   2.248490 0.000000 0.000000 
1 1 1   28    0    1 o 438.0608 4.975447  2200.900 49.90000   2200.900 49.90000   2200.900 49.90000   438.0608 4.975447   438.0608   4.975447 0.000000 0.000000 
1 1 1   28    0    2 o 46.32484 1.892370  24.70000 2.000000   24.70000 2.000000   24.70000 2.000000   46.32484 1.892370   46.32484   1.892370 0.000000 0.000000 
1 1 1   28    0    3 o 210.3917 2.719856  507.4000 13.10000   507.4000 13.10000   507.4000 13.10000   210.3917 2.719856   210.3917   2.719856 0.000000 0.000000 
1 1 1   28    0    4 o 196.9811 2.572409  444.8000 11.60000   444.8000 11.60000   444.8000 11.60000   196.9811 2.572409   196.9811   2.572409 0.000000 0.000000 
1 1 1   28    0    5 o 87.61518 2.095904  88.10000 4.200000   88.10000 4.200000   88.10000 4.200000   87.61518 2.095904   87.61518   2.095904 0.000000 0.000000 
1 1 1   28    0    6 o 33.29124 3.357358  13.10000 2.500000   13.10000 2.500000   13.10000 2.500000   33.29124 3.357358   33.29124   3.357358 0.000000 0.000000 
1 1 1   28    0    7 f 51.93133 2.280256  31.10000 2.700000   31.10000 2.700000   31.10000 2.700000   51.93133 2.280256   51.93133   2.280256 0.000000 0.000000 
1 1 1   28    0    8 o 18.34130 7.046104  5.300000 2.800000   5.300000 2.800000   5.300000 2.800000   18.34130 7.046104   18.34130   7.046104 0.000000 0.000000 
1 1 1   28    0    9 o 11.93008 6.301339  2.400000 2.300000   2.400000 2.300000   2.400000 2.300000   11.93008 6.301339   11.93008   6.301339 0.000000 0.000000 
1 1 1   28    0   10 o 38.79217 2.849411  17.60000 2.500000   17.60000 2.500000   17.60000 2.500000   38.79217 2.849411   38.79217   2.849411 0.000000 0.000000 
1 1 1   28    0   11 o 45.85325 2.395659  24.40000 2.500000   24.40000 2.500000   24.40000 2.500000   45.85325 2.395659   45.85325   2.395659 0.000000 0.000000 
1 1 1   28    0   12 o 7.741658 5.303839 -1.800000 3.000000  -1.800000 3.000000  -1.800000 3.000000   7.741658 5.303839   7.741658   5.303839 0.000000 0.000000 
1 1 1   28    0   13 o 16.16493 7.638762  4.800000 3.200000   4.800000 3.200000   4.800000 3.200000   16.16493 7.638762   16.16493   7.638762 0.000000 0.000000 
1 1 1   28    0   14 o 49.93047 3.267868  29.60000 3.700000   29.60000 3.700000   29.60000 3.700000   49.93047 3.267868   49.93047   3.267868 0.000000 0.000000 
1 1 1   28    0   15 o 89.89217 2.335189  94.20000 4.800000   94.20000 4.800000   94.20000 4.800000   89.89217 2.335189   89.89217   2.335189 0.000000 0.000000 
1 1 1   28    2    0 o 183.3666 2.047240  387.9641 5.465384   395.4000 8.700000   375.4000 14.70000   185.7851 2.044787   180.9482   3.547340 4.836929 4.094481 
1 1 1   28    2    1 o 124.8907 1.539548  179.5256 2.874380   182.4000 4.700000   175.0000 7.400000   126.1957 1.626271   123.5856   2.614590 2.610115 3.079097 
1 1 1   28    2    2 o 139.9442 1.726582  225.2636 3.523179   227.6000 5.600000   221.3000 9.500000   140.9549 1.734792   138.9334   2.985772 2.021500 3.453164 
1 1 1   28    2    3 o 129.1347 1.759334  192.6014 3.575172   202.4000 6.400000   180.2000 8.100000   132.9028 2.102740   125.3665   2.821260 7.536278 3.518668 
1 1 1   28    2    4 o 245.9521 2.654520  694.1686 9.431373   692.5000 14.80000   697.1000 26.00000   245.7361 2.629859   246.1681   4.611914 -0.4320831 5.309041 
1 1 1   28    2    5 o 54.61697 1.477602  35.04000 1.200000   38.00000 2.000000   30.60000 3.000000   57.58783 1.516488   51.64611   2.536433 5.941727 2.955204 
1 1 1   28    2    6 o 94.98761 1.653839  102.5909 2.290909   99.90000 3.600000   107.3000 6.300000   93.34599 1.684017   96.62922   2.846897 -3.283226 3.307679 
1 1 1   28    2    7 o 43.50112 2.184916  21.29672 1.432787   19.60000 2.300000   24.10000 3.800000   41.30125 2.431668   45.70099   3.630761 -4.399738 4.369833 
1 1 1   28    2    8 o 125.4884 1.750377  182.2475 3.201460   185.3000 5.100000   177.1000 8.600000   127.0577 1.752705   123.9192   3.030397 3.138489 3.500755 
1 1 1   28    2    9 o 131.4261 1.775411  198.5795 3.376028   197.2000 5.300000   201.0000 9.300000   131.0172 1.766393   131.8351   3.080291 -0.8178711 3.550822 
1 1 1   28    2   10 o 89.47092 1.760291  93.06289 2.208247   94.50000 3.400000   90.40000 6.300000   90.67776 1.637261   88.26408   3.116709 2.413673 3.520582 
1 1 1   28    2   11 o 41.07995 2.726371  18.61111 1.565278   15.80000 2.300000   24.60000 4.900000   36.85962 2.724688   45.30028   4.723184 -8.440666 5.452742 
1 1 1   28    2   12 o 30.09456 3.878771  11.63913 1.565217   12.30000 2.400000   10.40000 4.500000   32.32947 3.241548   27.85965   7.047823 4.469820 7.757541 
1 1 1   28    2   13 o 11.98507 3.828336 -0.4225807 1.354839 -0.1000000 2.000000  -1.100000 4.200000   10.31342 4.497855   13.65671   6.196284 -3.343299 7.656672 
1 1 1   28    2   14 o 20.66738 4.458746  4.612329 1.610959  0.7000000 2.400000   12.60000 4.900000   12.05926 5.084185   29.27549   7.326169 -17.21623 8.917493 
1 1 1   28    2   15 o 19.40622 4.628492  5.381159 1.620290   4.100000 2.600000   7.500000 4.300000   17.14177 5.681470   21.67066   7.308397 -4.528891 9.256985 
1 1 1   28    4    0 o 295.1533 3.312001  1006.043 15.24270   1036.400 26.60000   965.3000 35.70000   300.5392 3.864740   289.7675   5.379702 10.77164 6.624002 
1 1 1   28    4    1 o 131.3156 1.657712  198.8125 3.187500   202.3000 5.100000   193.0000 8.500000   132.8883 1.675804   129.7428   2.860719 3.145432 3.315423 
1 1 1   28    4    2 o 155.8824 1.919146  277.6722 4.299465   275.2000 6.700000   282.1000 12.00000   154.9744 1.887794   156.7904   3.341963 -1.815964 3.838291 
1 1 1   28    4    3 o 141.1515 1.863017  227.6866 3.748781   225.6000 5.800000   231.5000 10.60000   140.3059 1.805060   141.9970   3.259615 -1.691086 3.726035 
1 1 1   28    4    4 o 58.39040 2.016863  39.22800 1.818667   39.60000 3.100000   38.70000 4.400000   58.75415 2.303896   58.02666   3.311043 0.7274818 4.033725 
1 1 1   28    4    5 o 28.50131 2.305756  9.302382 1.011905   9.100000 1.700000   9.600000 2.500000   28.14471 2.637496   28.85792   3.782812 -0.7132072 4.611513 
1 1 1   28    4    6 o 21.16226 3.324323  5.434783 1.147826   7.300000 2.200000   3.400000 2.400000   25.13479 3.821969   17.18973   5.440317 7.945057 6.648646 
1 1 1   28    4    7 o 25.39486 2.976952  7.545833 1.191667   6.400000 2.200000   8.900000 2.600000   23.10421 4.316602   27.68552   4.100722 -4.581308 5.953905 
1 1 1   28    4    8 o 57.90721 1.914681  38.67714 1.658571   38.60000 2.700000   38.80000 4.300000   57.93111 2.035127   57.88330   3.243806 0.4780960E-01 3.829363 
1 1 1   28    4    9 o 105.2510 1.693130  129.9227 2.571818   135.7000 4.100000   120.2000 6.900000   108.6585 1.647630   101.8435   2.958390 6.815018 3.386260 
1 1 1   28    4   10 f 16.35519 4.472312  2.401493 1.540299   1.900000 2.400000   3.300000 4.300000   14.22365 5.378535   18.48672   7.146863 -4.263069 8.944624 
1 1 1   28    4   11 o 22.41525 4.118652  6.416129 1.419355   6.700000 2.200000   5.900000 4.000000   23.35287 4.270991   21.47762   7.043566 1.875252 8.237305 
1 1 1   28    4   12 o 18.18526 3.551439  2.779104 1.611940   8.300000 2.700000  -5.400000 4.000000   25.54186 4.791860   10.82866   5.242991 14.71320 7.102878 
1 1 1   28    4   13 o 21.53738 4.142966  5.573333 1.218333   4.100000 1.700000   9.300000 4.300000   17.88420 4.218958   25.19055   7.131414 -7.306349 8.285933 
1 1 1   28    4   14 o 25.37088 3.709980  8.732203 1.464407   8.000000 2.700000   9.600000 3.200000   24.36532 5.006165   26.37645   5.476688 -2.011129 7.419960 
1 1 1   28    6    0 o 109.7967 1.570206  138.5865 2.756757   142.4000 5.100000   134.1000 6.000000   111.4585 1.998006   108.1349   2.422841 3.323547 3.140411 
1 1 1   28    6    1 o 118.0739 1.569689  159.9367 2.999167   157.7000 6.100000   162.1000 5.900000   117.2572 2.271590   118.8906   2.166926 -1.633446 3.139377 
1 1 1   28    6    2 o 37.02753 3.515533  17.26301 1.701370   20.00000 2.700000   12.60000 4.600000   41.72000 2.825916   32.33508   6.438174 9.384922 7.031065 
1 1 1   28    6    3 o 123.7129 1.722594  175.7739 3.447101   176.7000 7.100000   174.9000 6.700000   124.0193 2.499820   123.4064   2.370701 0.6129227 3.445189 
1 1 1   28    6    4 o 85.22803 1.521491  83.31429 2.095238   80.60000 4.000000   86.30000 4.400000   83.78006 2.084774   86.67601   2.216632 -2.895950 3.042982 
1 1 1   28    6    5 o 10.01068 3.248889 -1.696000 1.152000 -0.4000000 1.800000  -4.000000 3.200000   9.688620 4.245055   10.33275   4.919412 -0.6441307 6.497777 
1 1 1   28    6    6 o 30.14128 4.004010  11.58219 1.783562   14.30000 3.100000   7.900000 4.200000   35.06310 3.860567   25.21947   7.016011 9.843624 8.008020 
1 1 1   28    6    7 o 107.4797 1.820476  131.9233 2.596667   129.2000 3.800000   137.8000 8.200000   106.0479 1.564665   108.9115   3.287606 -2.863647 3.640952 
1 1 1   28    6    8 o 28.06057 4.173993  9.113514 1.621622   7.200000 2.400000   13.10000 5.000000   24.27468 4.482275   31.84646   7.042591 -7.571785 8.347986 
1 1 1   28    6    9 o 54.25351 2.337291  35.16234 1.753247   36.60000 2.700000   32.50000 5.000000   56.25645 2.095710   52.25056   4.178484 4.005894 4.674583 
1 1 1   28    6   10 o 42.39746 3.231529  23.75844 1.753247   27.30000 2.700000   17.20000 5.000000   48.31372 2.440243   36.48121   5.984674 11.83251 6.463057 
1 1 1   28    6   11 o 10.09196 3.616891 -5.150685 1.495890  -6.100000 2.100000  -2.800000 5.200000   6.347341 3.193747   13.83657   6.490577 -7.489231 7.233783 
1 1 1   28    6   12 o 22.22289 4.856208  7.030121 1.855422   7.300000 2.800000   6.500000 5.500000   23.33399 5.353424   21.11178   8.103818 2.222210 9.712416 
1 1 1   28    8    0 o 30.47107 2.894039  10.72807 1.414035   10.50000 2.600000   11.00000 3.100000   30.14200 3.766526   30.80014   4.394897 -0.6581364 5.788077 
1 1 1   28    8    1 o 55.94058 1.910022  35.96377 1.707246   35.20000 3.100000   36.90000 3.800000   55.31039 2.447342   56.57078   2.933129 -1.260395 3.820043 
1 1 1   28    8    2 o 83.65828 1.793312  80.63609 2.418557   81.30000 4.600000   79.90000 5.100000   84.04825 2.389840   83.26831   2.674423 0.7799377 3.586625 
1 1 1   28    8    3 o 98.09106 1.528479  110.6196 2.412371   108.3000 4.500000   113.3000 5.200000   97.01718 2.025366   99.16493   2.289733 -2.147751 3.056957 
1 1 1   28    8    4 f 12.72043 3.819288 0.2800000 1.320000  0.6000000 2.200000 -0.2000000 3.300000   12.01063 4.949930   13.43022   5.817735 -1.419590 7.638576 
1 1 1   28    8    5 o 43.96388 2.247467  22.49063 1.593750   21.60000 3.000000   23.50000 3.400000   43.07088 3.041426   44.85688   3.309707 -1.786003 4.494934 
1 1 1   28    8    6 o 58.40428 1.692662  39.60000 1.600000   38.10000 3.200000   41.10000 3.200000   57.28282 2.439301   59.52575   2.347388 -2.242931 3.385324 
1 1 1   28    8    7 o 56.99731 1.937657  38.16429 1.698571   39.20000 2.900000   36.70000 4.100000   58.14256 2.177928   55.85206   3.205415 2.290501 3.875314 
1 1 1   28    8    8 o 12.75291 3.782656 0.1732143 1.398214  -1.900000 2.700000   2.400000 2.900000   10.24414 4.762880   15.26168   5.877832 -5.017539 7.565311 
1 1 1   28    8    9 f 49.17184 2.166383  28.88696 1.724638   29.80000 3.500000   28.00000 3.400000   49.94000 3.060266   48.40369   3.067187 1.536312 4.332767 
1 1 1   28    8   10 o 14.28364 4.342595      0.03 1.972152   3.300000 3.800000  -3.500000 4.100000   16.84444 6.657491   11.72285   5.577663 5.121586 8.685189 
1 1 1   28   10    0 o 33.94733 3.126437  13.34203 1.681159   10.40000 2.900000   17.40000 4.000000   29.64206 4.271982   38.25261   4.566028 -8.610558 6.252874 
1 1 1   28   10    1 o 29.51621 3.374762  10.57619 1.571429   9.100000 3.000000   12.20000 3.300000   27.08937 5.020611   31.94305   4.511046 -4.853678 6.749524 
1 1 1   28   10    2 o 29.83520 3.494400  10.90000 1.593846   10.90000 2.800000   10.90000 3.700000   30.29713 4.035489   29.37327   5.705975 0.9238663 6.988800 
1 1 1   28   10    3 o 29.08589 3.728876  12.15556 1.507936   16.60000 2.500000   5.400000 3.800000   37.63726 2.900426   20.53452   6.870633 17.10274 7.457752 
1 1 1   28   10    4 o 13.88196 3.740137  1.028571 1.371429  -2.400000 3.200000   3.600000 2.400000   10.94525 5.120654   16.81868   5.452835 -5.873435 7.480274 
1 1 1   28   10    5 o 19.21815 4.110882  4.888525 1.514754   2.400000 3.300000   7.000000 2.800000   15.52116 6.181983   22.91515   5.420379 -7.393988 8.221765 
1 1 1   28   10    6 o 11.27062 3.711689 -1.334921 1.431746  -1.300000 2.200000  -1.400000 4.100000   9.461016 4.363857   13.08022   6.005273 -3.619208 7.423378 
1 1 1   28   10    7 o 13.59948 3.739944  1.600000 1.200000   3.600000 2.800000  0.1000000 2.100000   16.57783 5.881835   10.62112   4.620903 5.956716 7.479888 
1 1 1   28   12    0 o 16.26586 4.345656  3.035385 1.578462   3.700000 2.700000   2.100000 3.800000   16.88970 5.790745   15.64201   6.481217 1.247687 8.691312 
1 1 1   28   12    1 o 16.34846 4.361152  2.950000 1.650000   4.800000 3.300000   1.100000 3.300000   18.75607 6.402053   13.94084   5.923875 4.815225 8.722303 
1 1 1   28   12    2 o 31.57937 3.976107  13.40000 1.980000   11.60000 3.600000   15.60000 4.400000   29.11863 5.601861   34.04010   5.644188 -4.921473 7.952214 
1 1 1   29    1    0 o 203.9956 1.945263  476.8374 6.422568   477.5000 13.10000   476.2000 12.60000   204.1319 2.802207   203.8593   2.698857 0.2725983 3.890526 
1 1 1   29    1    1 o 170.8929 1.734760  334.6766 4.799479   332.1000 9.700000   337.2000 9.500000   170.2401 2.487995   171.5457   2.418151 -1.305634 3.469521 
1 1 1   29    1    2 o 192.4275 1.837628  424.4952 5.724018   421.0000 11.60000   427.9000 11.30000   191.6420 2.643061   193.2130   2.553770 -1.571030 3.675257 
1 1 1   29    1    3 o 104.4116 1.374943  124.8323 2.322581   121.3000 4.500000   128.6000 4.800000   102.8876 1.909806   105.9356   1.978514 -3.048004 2.749886 
1 1 1   29    1    4 o 94.53484 1.341497  102.5500 2.050000   95.50000 4.100000   109.6000 4.100000   91.27845 1.961351   97.79124   1.830727 -6.512787 2.682994 
1 1 1   29    1    5 o 238.3578 2.112871  653.0810 8.147240   665.4000 16.00000   640.3000 16.60000   240.6718 2.902916   236.0437   3.070828 4.628174 4.225743 
1 1 1   29    1    6 o 20.56680 3.297928  5.086046 1.074419   4.500000 2.100000   5.700000 2.200000   19.33442 4.771759   21.79918   4.553640 -2.464762 6.595857 
1 1 1   29    1    7 o 57.94075 1.623515  38.33934 1.514754   34.30000 2.800000   43.10000 3.300000   54.64124 2.237573   61.24026   2.352971 -6.599018 3.247030 
1 1 1   29    1    8 o 113.6357 1.426899  148.4219 2.624762   150.7000 5.200000   146.1000 5.300000   114.5234 1.982663   112.7481   2.052610 1.775314 2.853797 
1 1 1   29    1    9 o 57.67038 1.770775  38.45000 1.650000   41.40000 3.300000   35.50000 3.300000   59.90400 2.405458   55.43676   2.599297 4.467239 3.541549 
1 1 1   29    1   10 o 65.17253 1.586646  48.99254 1.671642   46.70000 3.200000   51.50000 3.500000   63.59059 2.197338   66.75448   2.289430 -3.163891 3.173292 
1 1 1   29    1   11 f 62.83541 1.526064  45.75000 1.550000   48.90000 3.100000   42.60000 3.100000   65.02441 2.081733   60.64641   2.232011 4.378002 3.052127 
1 1 1   29    1   12 o 15.91599 4.017981  2.920370 1.342593   3.800000 2.500000   1.900000 2.900000   17.24716 5.562521   14.58482   5.799572 2.662342 8.035962 
1 1 1   29    1   13 f 12.17589 3.838421 -0.4016129 1.543548  0.3000000 2.900000  -1.200000 3.300000   12.48683 5.431406   11.86496   5.425286 0.6218758 7.676842 
1 1 1   29    1   14 o 63.58645 1.679917  47.59565 1.721739   54.90000 3.600000   40.90000 3.300000   68.31319 2.301111   58.85971   2.448136 9.453476 3.359834 
1 1 1   29    3    0 o 152.2809 1.880616  265.6358 4.139665   265.2000 6.500000   266.4000 11.40000   152.1476 1.865469   152.4143   3.266020 -0.2666626 3.761231 
1 1 1   29    3    1 o 143.4945 1.859587  235.0509 3.844311   232.5000 6.000000   239.6000 10.70000   142.4556 1.839125   144.5333   3.232627 -2.077667 3.719174 
1 1 1   29    3    2 o 98.25149 1.516970  111.1500 2.243617   113.0000 3.700000   108.3000 5.700000   99.31396 1.626789   97.18902   2.560928 2.124939 3.033940 
1 1 1   29    3    3 o 43.89691 1.554987  21.99091 1.079545   21.30000 1.900000   22.90000 2.500000   43.10863 1.924549   44.68520   2.442958 -1.576565 3.109973 
1 1 1   29    3    4 o 84.25110 1.666658  81.83793 1.995402   82.80000 3.100000   80.10000 5.600000   84.99592 1.592587   83.50628   2.928253 1.489639 3.333317 
1 1 1   29    3    5 o 90.57246 1.624336  95.62747 2.129670   99.70000 3.400000   88.80000 5.700000   93.25349 1.592039   87.89144   2.831835 5.362045 3.248673 
1 1 1   29    3    6 o 118.3407 1.606660  162.3681 2.821849   167.2000 4.600000   154.7000 7.300000   120.7302 1.663725   115.9511   2.749081 4.779091 3.213320 
1 1 1   29    3    7 o 63.32838 1.846964  46.02740 1.673972   45.60000 2.600000   46.80000 4.700000   63.01587 1.801619   63.64089   3.224789 -0.6250153 3.693927 
1 1 1   29    3    8 o 32.62140 2.613660  13.68511 1.161702   18.60000 2.100000   7.600000 2.600000   40.18157 2.282087   25.06122   4.702867 15.12034 5.227320 
1 1 1   29    3    9 f 70.58292 1.650027  55.97027 1.686486   52.00000 2.600000   63.30000 4.800000   67.24850 1.688226   73.91734   2.835533 -6.668839 3.300053 
1 1 1   29    3   10 o 26.52406 3.713522  10.57000 1.298333   13.80000 1.900000   3.600000 4.100000   34.49198 2.405333   18.55615   7.026760 15.93583 7.427044 
1 1 1   29    3   11 o 46.64640 2.454039  25.80556 1.711111   26.00000 2.800000   25.50000 4.400000   47.20990 2.589790   46.08290   4.169199 1.126999 4.908078 
1 1 1   29    3   12 o 12.65324 3.990505 -0.5681159 1.620290  0.6000000 2.600000  -2.500000 4.300000   12.43072 5.269024   12.87576   5.994488 -0.4450426 7.981009 
1 1 1   29    3   13 o 19.45544 4.288346  5.020000 1.440000   3.900000 2.400000   6.700000 3.600000   17.19505 5.440137   21.71584   6.630578 -4.520792 8.576693 
1 1 1   29    3   14 o 20.61855 4.396198  5.903125 1.443750   4.700000 2.200000   8.200000 4.200000   18.50142 5.050681   22.73568   7.197004 -4.234264 8.792397 
1 1 1   29    5    0 o 90.07309 1.443568  92.80952 2.080952   91.00000 3.800000   95.00000 4.600000   89.11163 1.862040   91.03456   2.206435 -1.922935 2.887135 
1 1 1   29    5    1 o 80.37065 1.517323  73.95443 1.972152   79.30000 4.100000   69.00000 3.800000   83.16471 2.152705   77.57658   2.138911 5.588127 3.034646 
1 1 1   29    5    2 o 135.2286 1.555141  209.5500 3.381618   206.4000 6.300000   213.2000 7.300000   134.1492 2.050653   136.3080   2.338521 -2.158798 3.110282 
1 1 1   29    5    3 o 44.39805 2.505204  21.52917 1.631944   18.30000 2.500000   27.60000 4.700000   39.90587 2.735539   48.89024   4.197739 -8.984367 5.010407 
1 1 1   29    5    4 o 40.43066 2.112315  19.32453 1.286792   21.40000 2.200000   16.40000 3.100000   43.16517 2.225507   37.69616   3.590908 5.469013 4.224630 
1 1 1   29    5    5 o 121.6117 1.853472  168.3286 3.122143   164.3000 4.700000   176.3000 9.300000   119.6506 1.715231   123.5727   3.286247 -3.922073 3.706944 
1 1 1   29    5    6 o 115.2841 1.778161  155.0786 2.892857   159.9000 4.500000   146.4000 8.100000   118.0169 1.664976   112.5512   3.142495 5.465721 3.556321 
1 1 1   29    5    7 o 63.98706 1.852559  46.55540 1.655405   44.90000 2.500000   49.80000 4.900000   62.49197 1.746849   65.48215   3.267479 -2.990181 3.705118 
1 1 1   29    5    8 o 34.64927 2.383046  13.83208 1.267925   13.00000 2.100000   15.10000 3.200000   33.46984 2.739715   35.82869   3.899947 -2.358852 4.766091 
1 1 1   29    5    9 o 29.85791 3.589144  10.27463 1.477612   8.600000 2.200000   13.70000 4.500000   27.00702 3.557015   32.70881   6.235020 -5.701782 7.178288 
1 1 1   29    5   10 o 70.41753 2.090158  56.82258 2.098925   52.90000 3.200000   64.30000 6.100000   67.49003 2.070380   73.34504   3.631606 -5.855011 4.180315 
1 1 1   29    5   11 f 13.13834 3.664505  1.468085 1.174468   2.300000 2.300000  0.6000000 2.400000   14.30268 5.294181   11.97400   5.068139 2.328682 7.329010 
1 1 1   29    5   12 o 11.37161 3.837770 -2.673239 1.619718  -3.800000 2.500000 -0.6000000 4.600000   8.413392 4.090159   14.32984   6.494960 -5.916444 7.675540 
1 1 1   29    7    0 o 90.40086 1.907480  94.01481 2.518518   94.20000 4.000000   93.70000 6.800000   90.60872 1.927657   90.19301   3.292121 0.4157104 3.814960 
1 1 1   29    7    1 o 46.00664 1.992081  24.67586 1.422414   26.40000 2.500000   22.40000 3.300000   47.93591 2.277292   44.07737   3.269173 3.858540 3.984163 
1 1 1   29    7    2 o 80.30562 1.307179  73.99854 1.698529   75.80000 3.500000   72.30000 3.300000   81.25095 1.880959   79.36029   1.815726 1.890663 2.614358 
1 1 1   29    7    3 o 78.43230 1.420043  70.58334 1.787500   69.30000 3.300000   72.10000 3.900000   77.67622 1.855093   79.18839   2.150517 -1.512161 2.840086 
1 1 1   29    7    4 o 83.71178 1.663972  80.89777 2.245556   83.00000 4.300000   78.60000 4.700000   84.88441 2.211975   82.53913   2.486438 2.345284 3.327944 
1 1 1   29    7    5 o 56.07770 1.789279  36.25231 1.621538   33.20000 3.100000   39.60000 3.400000   53.60902 2.525012   58.54638   2.535821 -4.937363 3.578558 
1 1 1   29    7    6 o 26.23861 4.158055  8.563890 1.794444   5.400000 3.400000   12.10000 3.800000   20.79599 6.459613   31.68122   5.237468 -10.88523 8.316110 
1 1 1   29    7    7 o 64.89134 1.735655  49.33944 1.715493   51.30000 2.900000   46.50000 4.200000   66.66051 1.899630   63.12217   2.905407 3.538342 3.471309 
1 1 1   29    7    8 o 64.05638 2.197478  47.26000 2.090000   43.30000 3.300000   54.10000 5.700000   60.91935 2.365366   67.19341   3.704144 -6.274052 4.394957 
1 1 1   29    7    9 o 50.24288 1.968740  29.45807 1.419355   28.50000 2.200000   31.20000 4.000000   49.50633 1.940446   50.97943   3.426136 -1.473106 3.937479 
1 1 1   29    7   10 o 58.42545 2.356266  40.00117 1.842353   38.00000 2.700000   44.30000 5.800000   57.05336 2.066437   59.79753   4.235302 -2.744171 4.712531 
1 1 1   29    7   11 o 13.38062 4.209958 0.6621621 1.545946  0.9000000 2.200000  0.1000000 5.200000   11.74680 4.904624   15.01443   6.843949 -3.267632 8.419915 
1 1 1   29    9    0 o 10.04204 3.317210 -2.437037 1.320370  -1.500000 2.300000  -3.700000 3.100000   9.863815 4.517241   10.22027   4.859017 -0.3564577 6.634419 
1 1 1   29    9    1 f 19.85886 3.860457  4.792308 1.292308   6.300000 2.800000   3.500000 2.400000   22.53748 5.478321   17.18024   5.440637 5.357244 7.720915 
1 1 1   29    9    2 o 14.57364 3.879336  1.980000 1.248000   2.500000 2.600000   1.500000 2.400000   15.50905 5.646899   13.63824   5.320669 1.870809 7.758672 
1 1 1   29    9    3 o 17.49318 3.890026  3.254386 1.424561   6.300000 2.800000  0.1000000 2.900000   22.26119 5.519541   12.72516   5.483053 9.536036 7.780052 
1 1 1   29    9    4 o 23.67604 3.844622  6.970149 1.674627   1.700000 3.300000   12.40000 3.400000   15.24393 6.143658   32.10815   4.623845 -16.86423 7.689244 
1 1 1   29    9    5 o 24.50688 4.297633  8.155072 1.715942   6.600000 3.700000   9.500000 3.200000   21.94667 6.725674   27.06709   5.352001 -5.120424 8.595266 
1 1 1   29    9    6 o 16.16282 3.877492  2.966667 1.298246   4.300000 2.000000  0.5000000 3.700000   18.22653 4.745067   14.09910   6.133849 4.127425 7.754983 
1 1 1   29    9    7 o 26.20549 3.906416  8.800000 1.647059   4.600000 2.800000   14.80000 4.000000   18.46140 5.879777   33.94958   5.144762 -15.48818 7.812832 
1 1 1   29    9    8 o 44.50823 2.556244  24.39452 1.821918   26.60000 3.500000   22.00000 3.800000   46.88959 3.259353   42.12688   3.938801 4.762711 5.112488 
1 1 1   29   11    0 o 18.61410 4.602230  4.426087 1.721739   3.800000 3.600000   5.000000 3.300000   17.79746 6.616390   19.43073   6.398865 -1.633278 9.204460 
1 1 1   29   11    1 o 16.32747 4.706693  2.431646 1.967089   2.900000 3.700000   1.900000 4.200000   16.60354 6.567080   16.05139   6.744279 0.5521469 9.413386 
1 1 1   29   11    2 o 14.50362 4.418860  1.056000 1.834667  0.8000000 3.200000   1.400000 4.300000   13.49763 5.786734   15.50960   6.679747 -2.011966 8.837721 
1 1 1   29   11    3 o 34.00241 2.951666  14.30000 1.624615   14.30000 3.300000   14.30000 3.200000   33.96049 4.243065   34.04433   4.104355 -0.8384323E-01 5.903332 
1 1 1   29   11    4 f 12.93995 4.208906 -1.146914 2.017284  -1.100000 3.800000  -1.200000 4.300000   12.60882 5.786098   13.27108   6.113970 -0.6622591 8.417811 
1 1 1   30    0    0 o 64.61640 1.556303  47.90000 2.300000   47.90000 2.300000   47.90000 2.300000   64.61640 1.556303   64.61640   1.556303 0.000000 0.000000 
1 1 1   30    0    1 o 134.3449 2.146408  206.9000 6.600000   206.9000 6.600000   206.9000 6.600000   134.3449 2.146408   134.3449   2.146408 0.000000 0.000000 
1 1 1   30    0    2 o 202.0773 2.550704  468.1000 11.80000   468.1000 11.80000   468.1000 11.80000   202.0773 2.550704   202.0773   2.550704 0.000000 0.000000 
1 1 1   30    0    3 o 451.7776 5.085394  2345.600 52.60000   2345.600 52.60000   2345.600 52.60000   451.7776 5.085394   451.7776   5.085394 0.000000 0.000000 
1 1 1   30    0    4 o 71.05431 2.961482  58.20000 4.800000   58.20000 4.800000   58.20000 4.800000   71.05431 2.961482   71.05431   2.961482 0.000000 0.000000 
1 1 1   30    0    5 o 128.3311 2.008628  188.9000 5.900000   188.9000 5.900000   188.9000 5.900000   128.3311 2.008628   128.3311   2.008628 0.000000 0.000000 
1 1 1   30    0    6 o 19.01334 5.553708  5.100000 2.100000   5.100000 2.100000   5.100000 2.100000   19.01334 5.553708   19.01334   5.553708 0.000000 0.000000 
1 1 1   30    0    7 o 68.77400 2.035764  54.40000 3.200000   54.40000 3.200000   54.40000 3.200000   68.77400 2.035764   68.77400   2.035764 0.000000 0.000000 
1 1 1   30    0    8 o 81.40065 2.041329  76.20000 3.800000   76.20000 3.800000   76.20000 3.800000   81.40065 2.041329   81.40065   2.041329 0.000000 0.000000 
1 1 1   30    0    9 o 6.250856 4.422864 -3.200000 2.600000  -3.200000 2.600000  -3.200000 2.600000   6.250856 4.422864   6.250856   4.422864 0.000000 0.000000 
1 1 1   30    0   10 o 45.79924 2.495814  24.40000 2.600000   24.40000 2.600000   24.40000 2.600000   45.79924 2.495814   45.79924   2.495814 0.000000 0.000000 
1 1 1   30    0   11 o 38.43932 2.876956  17.40000 2.500000   17.40000 2.500000   17.40000 2.500000   38.43932 2.876956   38.43932   2.876956 0.000000 0.000000 
1 1 1   30    0   12 o 46.66963 3.410123  25.90000 3.600000   25.90000 3.600000   25.90000 3.600000   46.66963 3.410123   46.66963   3.410123 0.000000 0.000000 
1 1 1   30    0   13 o 29.38625 5.657508  11.50000 3.400000   11.50000 3.400000   11.50000 3.400000   29.38625 5.657508   29.38625   5.657508 0.000000 0.000000 
1 1 1   30    2    0 o 173.4697 2.031041  342.6082 4.931507   337.3000 7.500000   352.8000 14.40000   171.5822 1.908660   175.3571   3.585739 -3.774918 4.062082 
1 1 1   30    2    1 f 185.6199 2.119498  393.6751 5.581224   390.2000 8.600000   400.1000 15.90000   184.5336 2.034992   186.7062   3.718588 -2.172577 4.238996 
1 1 1   30    2    2 f 196.3868 2.293193  446.8163 6.230072   455.8000 9.500000   429.7000 18.10000   199.4170 2.080181   193.3565   4.087516 6.060547 4.586387 
1 1 1   30    2    3 o 71.23579 1.480508  57.56364 1.498485   56.10000 2.300000   60.30000 4.300000   69.97407 1.435259   72.49753   2.589912 -2.523460 2.961016 
1 1 1   30    2    4 o 32.08149 2.556499  12.67500 1.125000   14.70000 1.800000   9.300000 3.000000   35.79293 2.195912   28.37005   4.617435 7.422882 5.112997 
1 1 1   30    2    5 o 116.9400 1.627595  156.4375 2.812500   154.6000 4.500000   159.5000 7.500000   116.1051 1.692392   117.7750   2.780661 -1.669876 3.255191 
1 1 1   30    2    6 o 74.32121 1.704958  63.73924 1.835443   64.40000 2.900000   62.60000 5.000000   74.92191 1.690164   73.72050   2.961566 1.201416 3.409916 
1 1 1   30    2    7 o 132.4680 1.844717  202.9397 3.439735   204.8000 5.300000   199.5000 9.800000   133.5586 1.732782   131.3774   3.257206 2.181183 3.689434 
1 1 1   30    2    8 o 28.93235 2.965001  9.780769 1.176923   9.400000 1.800000   10.50000 3.400000   28.50932 2.756927   29.35538   5.250170 -0.8460560 5.930003 
1 1 1   30    2    9 o 69.43623 1.725319  54.96842 1.768421   52.50000 2.800000   59.20000 4.800000   67.51517 1.810908   71.35728   2.937262 -3.842102 3.450637 
1 1 1   30    2   10 o 18.97717 4.445482  4.150000 1.500000   2.800000 2.400000   6.400000 4.000000   15.68778 5.454926   22.26657   7.020898 -6.578791 8.890964 
1 1 1   30    2   11 o 39.93809 2.995167  19.73611 1.631944   20.50000 2.500000   18.30000 4.700000   41.81020 2.610943   38.06597   5.391389 3.744228 5.990334 
1 1 1   30    2   12 o 14.70222 4.282022  1.273973 1.726027   3.000000 2.800000  -1.500000 4.500000   15.80603 5.843204   13.59842   6.260974 2.207609 8.564043 
1 1 1   30    2   13 o 14.38026 4.386531  1.151351 1.740541   1.000000 2.800000   1.400000 4.600000   13.03566 5.493461   15.72486   6.840212 -2.689201 8.773062 
1 1 1   30    4    0 f 271.3409 2.814938  847.2432 10.91579   850.5000 17.00000   841.4000 30.50000   272.3164 2.725930   270.3655   4.925931 1.950958 5.629875 
1 1 1   30    4    1 o 203.9294 2.251264  480.5685 6.436749   487.6000 9.900000   467.5000 18.40000   206.2333 2.096119   201.6254   3.984852 4.607895 4.502528 
1 1 1   30    4    2 o 13.93985 3.826510  1.198182 1.134545   2.100000 1.600000  -1.000000 3.900000   13.72320 4.452525   14.15650   6.224446 -0.4332933 7.653019 
1 1 1   30    4    3 o 118.1033 1.589813  161.8466 2.679310   166.3000 4.200000   154.0000 7.400000   120.4471 1.522624   115.7596   2.791350 4.687424 3.179626 
1 1 1   30    4    4 o 14.35374 4.050796  1.100000 1.221429  0.2000000 1.800000   3.000000 3.800000   10.53687 4.420581   18.17061   6.789274 -7.633739 8.101591 
1 1 1   30    4    5 o 139.0704 1.996003  220.1692 3.811046   214.9000 5.700000   230.8000 11.50000   136.8271 1.819040   141.3136   3.553477 -4.486496 3.992005 
1 1 1   30    4    6 o 109.4707 1.605065  136.8725 2.444037   134.7000 3.700000   141.1000 7.200000   108.3482 1.491144   110.5932   2.842783 -2.244995 3.210129 
1 1 1   30    4    7 o 54.98776 1.954730  34.55000 1.580882   33.30000 2.500000   36.70000 4.300000   53.77942 2.029849   56.19611   3.341195 -2.416698 3.909459 
1 1 1   30    4    8 o 49.11097 1.830872  28.01754 1.371930   28.30000 2.300000   27.60000 3.400000   49.53143 2.027620   48.69050   3.049119 0.8409348 3.661744 
1 1 1   30    4    9 o 24.39364 4.029396  7.945455 1.527273   9.800000 2.400000   4.700000 4.200000   28.81221 3.637260   19.97506   7.191278 8.837151 8.058792 
1 1 1   30    4   10 f 23.34105 3.759421  7.896825 1.365079   10.50000 2.000000   2.300000 4.300000   29.85185 2.925489   16.83026   6.926363 13.02159 7.518843 
1 1 1   30    4   11 o 31.70516 3.849864  14.70882 1.605882   18.80000 2.600000   8.100000 4.200000   39.81211 2.851661   23.59821   7.152193 16.21390 7.699729 
1 1 1   30    4   12 o 17.40651 4.233057  3.332895 1.603947   5.300000 2.300000  -1.200000 5.300000   19.99705 5.027616   14.81598   6.811620 5.181076 8.466114 
1 1 1   30    6    0 o 85.25337 1.560371  83.53256 2.148837   87.00000 4.200000   79.90000 4.400000   87.07609 2.106154   83.43066   2.302856 3.645432 3.120742 
1 1 1   30    6    1 o 61.75232 1.601833  43.76250 1.598437   39.50000 3.100000   48.30000 3.300000   58.64652 2.308124   64.85812   2.221720 -6.211601 3.203666 
1 1 1   30    6    2 o 39.63449 2.181923  18.09286 1.398214   17.90000 2.700000   18.30000 2.900000   39.42294 2.990574   39.84605   3.177989 -0.4231148 4.363845 
1 1 1   30    6    3 o 36.42931 2.416553  15.33158 1.421053   15.00000 2.700000   15.70000 3.000000   36.02892 3.272293   36.82970   3.556827 -0.8007774 4.833107 
1 1 1   30    6    4 o 35.74226 2.039750  14.73404 1.161702   14.60000 2.100000   14.90000 2.600000   35.59022 2.576489   35.89431   3.162915 -0.3040848 4.079500 
1 1 1   30    6    5 o 12.44108 3.868546 -0.1050847 1.250847  0.2000000 1.800000 -0.8000000 4.100000   10.46125 4.406351   14.42090   6.359768 -3.959651 7.737091 
1 1 1   30    6    6 o 46.49401 2.523278  25.84783 1.460870   26.70000 2.100000   23.90000 4.800000   48.13791 1.904898   44.85012   4.673232 3.287792 5.046557 
1 1 1   30    6    7 o 64.49342 1.676990  48.88235 1.647059   51.60000 2.800000   45.00000 4.000000   66.86849 1.828421   62.11834   2.811770 4.750153 3.353979 
1 1 1   30    6    8 o 43.48864 2.636114  20.57808 1.495890   17.50000 2.100000   28.20000 5.200000   38.79730 2.363510   48.17998   4.712772 -9.382675 5.272229 
1 1 1   30    6    9 o 48.48862 2.398168  28.31250 1.687500   29.10000 2.700000   27.00000 4.500000   49.90244 2.362554   47.07481   4.174108 2.827629 4.796336 
1 1 1   30    6   10 o 28.54341 4.087649  11.37826 1.460870   12.20000 2.100000   9.500000 4.800000   32.04248 2.861758   25.04433   7.658057 6.998148 8.175298 
1 1 1   30    6   11 o 28.01203 2.954584  9.362963 1.259259   7.400000 2.000000   12.70000 3.400000   24.58595 3.552080   31.43812   4.722393 -6.852171 5.909168 
1 1 1   30    8    0 o 17.28776 4.571983  1.674699 1.942169   4.700000 3.100000  -3.400000 5.200000   19.88425 6.166676   14.69126   6.751609 5.192988 9.143966 
1 1 1   30    8    1 o 30.19064 3.028157  11.00000 1.400000   8.100000 2.800000   13.90000 2.800000   25.81130 4.916368   34.56998   3.536703 -8.758678 6.056314 
1 1 1   30    8    2 o 34.90353 2.811502  14.31774 1.491935   14.60000 2.500000   13.90000 3.700000   35.47974 3.076801   34.32733   4.706536 1.152405 5.623005 
1 1 1   30    8    3 o 36.78062 2.316810  15.71091 1.352727   15.10000 2.400000   16.50000 3.100000   36.03972 2.907834   37.52151   3.607623 -1.481789 4.633620 
1 1 1   30    8    4 o 19.44330 3.876182  4.722222 1.348148   2.700000 2.800000   6.600000 2.600000   15.95511 5.852326   22.93150   5.084233 -6.976392 7.752364 
1 1 1   30    8    5 o 29.04293 3.124549  9.910170 1.440678   8.300000 2.500000   12.10000 3.400000   26.39298 4.136102   31.69288   4.684431 -5.299900 6.249098 
1 1 1   30    8    6 o 26.45645 3.862419  9.150000 1.600000   9.300000 3.200000   9.000000 3.200000   26.70429 5.417718   26.20860   5.506491 0.4956913 7.724838 
1 1 1   30    8    7 o 20.63115 4.129641  5.775757 1.625758   8.500000 2.900000   2.300000 3.700000   25.45473 5.151549   15.80757   6.455794 9.647157 8.259282 
1 1 1   30    8    8 o 52.69516 2.156000  33.31918 1.821918   30.30000 3.800000   36.10000 3.500000   50.20146 3.305270   55.18885   2.769213 -4.987392 4.312001 
1 1 1   30    8    9 o 20.49685 4.181371  6.024286 1.698571   8.800000 2.900000   2.100000 4.100000   25.49935 5.143483   15.49436   6.593938 10.00498 8.362741 
1 1 1   30   10    0 o 29.07031 3.697370  10.55821 1.674627   7.800000 3.300000   13.40000 3.400000   24.67814 5.915896   33.46249   4.436704 -8.784344 7.394740 
1 1 1   30   10    1 o 17.78275 4.677707  3.600000 1.798611   3.600000 3.500000   3.600000 3.700000   17.70111 6.535065   17.86438   6.694527 -0.1632633 9.355413 
1 1 1   30   10    2 o 17.72449 4.446556  3.843750 1.560938   3.000000 2.700000   5.000000 3.700000   15.95238 5.762680   19.49660   6.773402 -3.544228 8.893112 
1 1 1   30   10    3 o 19.98512 4.073960  5.316071 1.383929   6.700000 3.100000   4.200000 2.500000   22.13713 5.975591   17.83312   5.539037 4.304001 8.147921 
1 1 1   30   10    4 o 21.47777 3.941457  6.194915 1.471186   3.300000 2.800000   9.400000 3.100000   16.27890 5.870301   26.67665   5.261169 -10.39775 7.882914 
1 1 1   30   10    5 o 21.31393 3.932076  6.200000 1.363636   6.200000 3.000000   6.200000 2.500000   21.09408 5.951390   21.53379   5.140608 -0.4397163 7.864153 
1 1 1   30   10    6 o 12.50834 4.005619 -2.471795 1.948718   2.400000 3.800000  -7.600000 4.000000   15.42696 6.443972   9.589716   4.759744 5.837245 8.011238 
1 1 1   30   12    0 o 15.79398 4.754079  2.100000 2.172414   3.500000 4.200000  0.6000000 4.500000   16.94432 6.894325   14.64365   6.547775 2.300665 9.508159 
1 1 1   31    1    0 o 60.75204 1.223606  42.37083 1.197917   44.00000 2.300000   40.60000 2.500000   61.97515 1.620503   59.52893   1.833799 2.446224 2.447212 
1 1 1   31    1    1 o 90.18887 1.236210  93.15833 1.787500   93.70000 3.900000   92.70000 3.300000   90.42619 1.883259   89.95155   1.601935 0.4746399 2.472420 
1 1 1   31    1    2 o 238.2104 2.197869  651.4699 8.469027   652.2000 16.50000   650.7000 17.40000   238.3643 3.022612   238.0565   3.191604 0.3078613 4.395739 
1 1 1   31    1    3 f 55.63750 1.945572  36.21618 1.663235   31.80000 3.900000   39.50000 2.900000   52.59378 3.237949   58.68123   2.157936 -6.087452 3.891144 
1 1 1   31    1    4 o 100.7831 1.568843  116.1485 2.435643   119.0000 6.000000   114.2000 4.100000   101.7786 2.574154   99.78762   1.794101 1.990974 3.137685 
1 1 1   31    1    5 o 13.12081 3.699019 0.9500000 1.200000  0.2000000 2.400000   1.700000 2.400000   12.05270 5.082951   14.18892   5.375367 -2.136217 7.398037 
1 1 1   31    1    6 o 31.27764 2.664729  11.30185 1.342593   10.70000 2.500000   12.00000 2.900000   30.39881 3.591064   32.15648   3.937942 -1.757666 5.329458 
1 1 1   31    1    7 o 84.54740 1.369799  82.20934 1.874667   82.90000 3.700000   81.50000 3.800000   84.91370 1.902671   84.18111   1.971100 0.7325897 2.739597 
1 1 1   31    1    8 o 51.86281 1.671778  31.10000 1.400000   28.40000 2.800000   33.80000 2.800000   49.58956 2.465514   54.13606   2.258453 -4.546501 3.343556 
1 1 1   31    1    9 o 23.98162 3.344157  7.252000 1.242000   5.200000 2.700000   9.000000 2.300000   20.31012 5.616358   27.65312   3.631812 -7.343004 6.688313 
1 1 1   31    1   10 o 28.69250 2.486599  9.750000 1.150000   8.700000 2.300000   10.80000 2.300000   27.09455 3.706683   30.29044   3.315599 -3.195885 4.973198 
1 1 1   31    1   11 o 45.26618 1.813638  23.88490 1.301887   22.80000 2.300000   25.30000 3.000000   44.20423 2.271976   46.32813   2.827588 -2.123905 3.627276 
1 1 1   31    1   12 o 30.95844 2.994329  11.86333 1.498333   10.80000 2.900000   13.00000 3.100000   29.49154 4.293785   32.42534   4.174619 -2.933802 5.988658 
1 1 1   31    1   13 o 16.22936 4.146112  3.458929 1.383929   4.400000 3.100000   2.700000 2.500000   17.67218 6.196513   14.78654   5.510374 2.885641 8.292225 
1 1 1   31    3    0 o 107.3924 1.687928  133.9607 2.599107   138.5000 4.100000   126.1000 7.100000   109.9465 1.628329   104.8382   2.957185 5.108307 3.375855 
1 1 1   31    3    1 o 135.0578 2.004525  209.1000 6.200000   209.1000 6.200000          ?        ?   135.0578 2.004525          ?          ?       ?       ? 
1 1 1   31    3    2 o 122.8757 1.596692  174.2049 2.904065   177.3000 4.700000   169.2000 7.600000   124.3685 1.650164   121.3829   2.733983 2.985619 3.193385 
1 1 1   31    3    3 o 84.74548 1.634333  82.28372 1.953488   81.90000 3.000000   83.00000 5.600000   84.52295 1.549838   84.96803   2.877877 -0.4450760 3.268665 
1 1 1   31    3    4 o 70.64642 1.566466  55.80000 1.577143   52.20000 2.400000   62.70000 4.600000   67.46687 1.553318   73.82597   2.720748 -6.359100 3.132933 
1 1 1   31    3    5 o 46.31019 2.084280  24.18966 1.158621   23.50000 1.600000   26.00000 4.200000   45.25818 1.543699   47.36219   3.872195 -2.104008 4.168561 
1 1 1   31    3    6 o 40.22444 2.512244  19.40000 1.333333   20.60000 2.000000   17.00000 4.000000   42.32325 2.063435   38.12564   4.581235 4.197609 5.024488 
1 1 1   31    3    7 o 65.92183 1.813720  50.20000 1.754667   50.20000 2.800000   50.20000 4.700000   66.06022 1.850792   65.78345   3.119758 0.2767715 3.627440 
1 1 1   31    3    8 o 51.95440 2.008585  30.28806 1.540299   27.10000 2.400000   36.00000 4.300000   48.43489 2.163678   55.47391   3.384694 -7.039017 4.017170 
1 1 1   31    3    9 o 29.53506 3.361536  10.51475 1.432787   10.10000 2.300000   11.20000 3.800000   29.31378 3.426066   29.75635   5.784615 -0.4425716 6.723072 
1 1 1   31    3   10 o 27.00753 3.841977  9.831746 1.460317   11.00000 2.300000   7.800000 4.000000   30.38105 3.305710   23.63401   6.936528 6.747036 7.683953 
1 1 1   31    3   11 o 24.33054 4.023712  7.598413 1.365079   6.900000 2.000000   9.100000 4.300000   23.81234 3.667478   24.84873   7.163143 -1.036383 8.047423 
1 1 1   31    3   12 o 28.58402 4.385149  12.25926 1.888889   15.00000 3.000000   7.600000 5.100000   34.98614 3.744251   22.18189   7.930871 12.80425 8.770298 
1 1 1   31    5    0 o 31.47958 2.320436  11.41064 1.161702   11.50000 2.100000   11.30000 2.600000   31.63362 2.898745   31.32553   3.624220 0.3080883 4.640872 
1 1 1   31    5    1 o 246.7938 2.766238  695.4177 9.477122   679.6000 14.30000   726.5000 28.10000   243.2151 2.567351   250.3725   4.900714 -7.157471 5.532476 
1 1 1   31    5    2 o 89.83836 1.628005  91.84176 2.043956   89.90000 3.100000   95.60000 6.000000   88.54124 1.528818   91.13549   2.874772 -2.594254 3.256010 
1 1 1   31    5    3 o 39.99086 2.695230  20.44576 1.250847   23.10000 1.800000   14.40000 4.100000   44.86290 1.751963   35.11881   5.097811 9.744091 5.390460 
1 1 1   31    5    4 o 37.51774 2.506088  14.80806 1.388710   10.10000 2.100000   24.00000 4.100000   29.57114 3.100923   45.46434   3.937791 -15.89320 5.012177 
1 1 1   31    5    5 o 65.77732 1.785377  49.96439 1.673972   50.00000 2.600000   49.90000 4.700000   65.95394 1.721362   65.60070   3.128449 0.3532410 3.570753 
1 1 1   31    5    6 o 15.87819 3.715154  2.685714 1.200000   4.100000 2.100000  0.8000000 2.800000   18.26684 4.912940   13.48954   5.574271 4.777304 7.430308 
1 1 1   31    5    7 o 38.09160 2.675766  16.93333 1.400000   16.50000 2.100000   17.80000 4.200000   37.71364 2.431423   38.46956   4.767292 -0.7559242 5.351532 
1 1 1   31    5    8 o 61.44854 2.013139  43.45897 1.794872   41.70000 2.800000   46.60000 5.000000   60.03819 2.036433   62.85889   3.473306 -2.820702 4.026278 
1 1 1   31    5    9 o 21.61870 3.608879  6.056000 1.248000   5.000000 2.400000   7.200000 2.600000   19.57148 5.247236   23.66591   4.956062 -4.094433 7.217759 
1 1 1   31    5   10 o 13.95749 4.029545 0.3916666 1.631944   3.100000 2.500000  -4.700000 4.700000   15.76416 5.561592   12.15082   5.832463 3.613342 8.059090 
1 1 1   31    5   11 o 18.02142 3.736282  3.933333 1.466667   6.800000 2.200000  -1.800000 4.400000   22.96223 4.342666   13.08061   6.081155 9.881623 7.472563 
1 1 1   31    7    0 o 13.18799 3.641871 0.9346939 1.183674   2.200000 2.000000 -0.9000000 2.900000   14.38878 4.980978   11.98719   5.314392 2.401587 7.283742 
1 1 1   31    7    1 o 23.31894 3.770325  6.550000 1.383929   5.300000 2.500000   8.100000 3.100000   20.84921 5.241535   25.78867   5.421042 -4.939457 7.540649 
1 1 1   31    7    2 o 25.87155 3.706540  8.286667 1.473333   9.500000 2.600000   6.700000 3.400000   28.52092 3.980609   23.22219   6.253678 5.298735 7.413079 
1 1 1   31    7    3 o 54.03851 1.457071  33.62157 1.274510   32.20000 2.500000   35.10000 2.600000   52.87308 2.064644   55.20395   2.056567 -2.330875 2.914142 
1 1 1   31    7    4 o 12.79782 3.890025 0.1000000 1.434483  0.1000000 2.600000  0.1000000 3.200000   12.18439 5.219698   13.41124   5.769222 -1.226848 7.780050 
1 1 1   31    7    5 o 78.54157 1.600113  72.10625 1.968750   76.00000 3.500000   67.10000 4.500000   81.13008 1.883761   75.95306   2.587062 5.177017 3.200226 
1 1 1   31    7    6 o 18.32445 4.131845  3.286364 1.643939 -0.8000000 3.100000   7.900000 3.500000   12.15205 5.434077   24.49685   6.225704 -12.34480 8.263691 
1 1 1   31    7    7 o 55.85195 2.401404  36.68293 1.775610   35.70000 2.600000   38.80000 5.600000   55.41113 2.048877   56.29277   4.343853 -0.8816338 4.802808 
1 1 1   31    7    8 f 16.08274 3.964638  3.211765 1.262745   2.400000 2.300000   4.200000 2.800000   14.41145 5.301395   17.75403   5.896493 -3.342581 7.929276 
1 1 1   31    7    9 o 47.37564 2.843711  27.28781 1.775610   26.40000 2.600000   29.20000 5.600000   47.33407 2.398497   47.41721   5.156935 -0.8314133E-01 5.687422 
1 1 1   31    9    0 o 24.97466 3.480379  7.358929 1.355357   10.60000 3.300000   5.100000 2.300000   29.73057 4.846748   20.21876   4.996118 9.511812 6.960759 
1 1 1   31    9    1 o 11.99204 3.612428 -0.3181817 1.298182   1.400000 2.100000  -3.100000 3.400000   12.86559 4.988703   11.11849   5.226030 1.747102 7.224856 
1 1 1   31    9    2 o 10.54227 3.531581 -3.815625 1.585938  -1.300000 3.500000  -5.900000 2.900000   12.60733 5.694203   8.477198   4.179032 4.130136 7.063162 
1 1 1   31    9    3 o 14.91985 3.270728 0.5982456 1.350877   5.500000 2.200000  -7.200000 3.500000   20.72759 4.737949   9.112105   4.510264 11.61548 6.541456 
1 1 1   31    9    4 o 36.70484 2.723881  15.95077 1.578462   13.50000 2.700000   19.40000 3.800000   33.55133 3.513935   39.85836   4.162976 -6.307034 5.447762 
1 1 1   31    9    5 o 15.65104 4.453105  2.025000 1.794444 -0.1000000 3.400000   4.400000 3.800000   12.95852 5.749220   18.34356   6.801988 -5.385038 8.906210 
1 1 1   31    9    6 o 12.49292 3.908229 -0.4646154 1.621538   1.300000 3.100000  -2.400000 3.400000   13.82878 5.801447   11.15707   5.238343 2.671710 7.816458 
1 1 1   31    9    7 o 23.96050 3.950088  8.204616 1.624615   4.600000 3.300000   11.70000 3.200000   17.91168 6.382193   30.00931   4.656221 -12.09763 7.900176 
1 1 1   31   11    0 o 49.39825 2.511699  29.31500 1.955000   27.70000 3.400000   31.50000 4.600000   48.14414 3.083722   50.65235   3.965500 -2.508213 5.023398 
1 1 1   31   11    1 o 18.43332 4.312418  4.419672 1.491803   2.800000 2.600000   6.600000 3.500000   15.31640 5.636204   21.55025   6.528477 -6.233851 8.624837 
1 1 1   31   11    2 f 19.11228 4.797370  5.263158 1.878947   5.800000 3.400000   4.600000 4.200000   19.93634 6.491704   18.28822   7.065184 1.648123 9.594740 
1 1 1   32    0    0 o 126.3382 2.075012  183.0000 6.000000   183.0000 6.000000   183.0000 6.000000   126.3382 2.075012   126.3382   2.075012 0.000000 0.000000 
1 1 1   32    0    1 o 57.58346 1.824069  38.10000 2.400000   38.10000 2.400000   38.10000 2.400000   57.58346 1.824069   57.58346   1.824069 0.000000 0.000000 
1 1 1   32    0    2 o 66.64063 1.837834  51.00000 2.800000   51.00000 2.800000   51.00000 2.800000   66.64063 1.837834   66.64063   1.837834 0.000000 0.000000 
1 1 1   32    0    3 o 224.4996 2.938114  578.6000 15.10000   578.6000 15.10000   578.6000 15.10000   224.4996 2.938114   224.4996   2.938114 0.000000 0.000000 
1 1 1   32    0    4 o 205.3145 2.659465  484.0000 12.50000   484.0000 12.50000   484.0000 12.50000   205.3145 2.659465   205.3145   2.659465 0.000000 0.000000 
1 1 1   32    0    5 o 6.153102 4.292735 -2.100000 2.200000  -2.100000 2.200000  -2.100000 2.200000   6.153102 4.292735   6.153102   4.292735 0.000000 0.000000 
1 1 1   32    0    6 o 42.49241 2.696686  21.00000 2.600000   21.00000 2.600000   21.00000 2.600000   42.49241 2.696686   42.49241   2.696686 0.000000 0.000000 
1 1 1   32    0    7 o 159.4265 2.246919  292.2000 8.200000   292.2000 8.200000   292.2000 8.200000   159.4265 2.246919   159.4265   2.246919 0.000000 0.000000 
1 1 1   32    0    8 o 94.44962 1.850870  102.6000 4.000000   102.6000 4.000000   102.6000 4.000000   94.44962 1.850870   94.44962   1.850870 0.000000 0.000000 
1 1 1   32    0    9 o 11.55522 6.766270  2.000000 3.000000   2.000000 3.000000   2.000000 3.000000   11.55522 6.766270   11.55522   6.766270 0.000000 0.000000 
1 1 1   32    0   10 o 34.96053 3.449351  14.70000 2.700000   14.70000 2.700000   14.70000 2.700000   34.96053 3.449351   34.96053   3.449351 0.000000 0.000000 
1 1 1   32    0   11 o 36.82065 4.170003  16.70000 3.400000   16.70000 3.400000   16.70000 3.400000   36.82065 4.170003   36.82065   4.170003 0.000000 0.000000 
1 1 1   32    0   12 o 56.22085 2.182171  36.80000 2.800000   36.80000 2.800000   36.80000 2.800000   56.22085 2.182171   56.22085   2.182171 0.000000 0.000000 
1 1 1   32    2    0 o 75.61403 1.544432  65.87083 1.631944   66.60000 2.500000   64.50000 4.700000   76.24509 1.431752   74.98298   2.737000 1.262108 3.088865 
1 1 1   32    2    1 o 94.27022 1.672523  103.5938 2.165625   107.1000 3.300000   96.90000 6.300000   96.67817 1.490477   91.86227   2.994629 4.815903 3.345045 
1 1 1   32    2    2 o 174.2069 2.681996  348.6000 10.70000   348.6000 10.70000          ?        ?   174.2069 2.681996          ?          ?       ?       ? 
1 1 1   32    2    3 o 9.964444 3.243294 -1.802174 1.071739  -2.800000 1.700000 -0.1000000 2.900000   7.063692 3.419578   12.86520   5.512016 -5.801504 6.486589 
1 1 1   32    2    4 o 43.00027 2.125932  21.42857 1.255357   21.70000 1.900000   20.90000 3.700000   43.48032 1.908098   42.52021   3.799671 0.9601097 4.251863 
1 1 1   32    2    5 f 59.10082 1.800281  38.45970 1.441791   35.20000 2.100000   45.60000 4.600000   55.37756 1.655866   62.82409   3.197211 -7.446533 3.600563 
1 1 1   32    2    6 o 40.27989 2.024400  19.38000 1.200000   21.50000 2.000000   16.20000 3.000000   43.22451 2.020411   37.33527   3.508663 5.889236 4.048799 
1 1 1   32    2    7 o 11.71368 3.657228 -0.5584906 1.245283  -1.200000 2.000000  0.5000000 3.300000   9.308703 4.243641   14.11866   5.957581 -4.809957 7.314456 
1 1 1   32    2    8 o 50.04579 2.034686  29.98548 1.446774   32.10000 2.300000   26.40000 3.900000   52.73844 1.904321   47.35313   3.596298 5.385307 4.069373 
1 1 1   32    2    9 o 30.78932 2.796871  11.20000 1.320000   10.80000 2.200000   11.80000 3.300000   30.32157 3.168186   31.25706   4.610048 -0.9354916 5.593742 
1 1 1   32    2   10 o 44.26228 2.539474  23.82000 1.680000   25.10000 2.800000   21.90000 4.200000   46.22857 2.644766   42.29601   4.336003 3.932560 5.078948 
1 1 1   32    2   11 o 24.47610 4.192734  8.202941 1.605882   8.700000 2.600000   7.400000 4.200000   26.46970 4.289079   22.48250   7.205545 3.987200 8.385468 
1 1 1   32    2   12 f 19.16993 4.568989  4.947826 1.643478   2.600000 2.700000   8.600000 4.200000   14.82242 5.680712   23.51744   7.157665 -8.695012 9.137979 
1 1 1   32    4    0 o 136.4059 1.890262  214.4506 3.827160   216.9000 6.200000   210.5000 10.00000   137.5197 1.968641   135.2920   3.227509 2.227676 3.780524 
1 1 1   32    4    1 o 149.4634 1.947785  254.8160 4.076243   250.5000 6.200000   263.1000 11.90000   147.7849 1.831898   151.1419   3.437968 -3.356979 3.895571 
1 1 1   32    4    2 o 86.42959 1.721754  86.03736 2.010989   86.40000 3.000000   85.30000 6.100000   86.80343 1.509121   86.05575   3.095207 0.7476807 3.443508 
1 1 1   32    4    3 o 126.1102 1.909935  182.3940 3.496689   180.5000 5.500000   185.7000 9.600000   125.3825 1.915427   126.8379   3.304927 -1.455444 3.819869 
1 1 1   32    4    4 o 76.40588 1.587888  67.11053 1.768421   67.00000 2.800000   67.30000 4.800000   76.40531 1.600200   76.40646   2.743158 -0.1152039E-02 3.175776 
1 1 1   32    4    5 o 48.72288 2.128634  27.50000 1.443750   27.50000 2.200000   27.50000 4.200000   48.88453 1.965129   48.56123   3.776585 0.3232956 4.257267 
1 1 1   32    4    6 o 37.18186 2.195282  16.68000 1.218000   19.20000 2.100000   13.20000 2.900000   40.78592 2.248271   33.57780   3.771251 7.208122 4.390565 
1 1 1   32    4    7 o 26.70568 3.864078  9.660655 1.268852   10.90000 1.800000   6.700000 4.300000   30.62711 2.566292   22.78426   7.289618 7.842855 7.728155 
1 1 1   32    4    8 o 57.14439 2.089988  39.14789 1.554930   40.80000 2.300000   35.70000 4.800000   59.47399 1.688653   54.81479   3.823695 4.659203 4.179975 
1 1 1   32    4    9 o 53.66747 2.037462  34.86716 1.591045   37.70000 2.600000   30.40000 4.100000   56.96519 1.992983   50.36974   3.554298 6.595448 4.074924 
1 1 1   32    4   10 o 16.68246 3.920411  3.496000 1.152000   3.100000 1.800000   4.200000 3.200000   15.51649 4.677612   17.84843   6.292728 -2.331942 7.840822 
1 1 1   32    4   11 o 27.85007 3.797104  10.72812 1.523438   11.90000 2.500000   8.900000 3.900000   31.20734 3.498025   24.49279   6.740610 6.714556 7.594209 
1 1 1   32    6    0 o 25.03042 3.194520  7.252941 1.250980   5.700000 2.200000   9.300000 2.900000   21.75893 4.560787   28.30192   4.474267 -6.542990 6.389040 
1 1 1   32    6    1 o 96.98193 1.776977  108.3694 2.747748   107.6000 6.100000   109.0000 5.000000   96.61379 2.756960   97.35007   2.242712 -0.7362747 3.553953 
1 1 1   32    6    2 o 11.06301 3.444980 -0.6000000 1.200000 -0.4000000 2.400000 -0.8000000 2.400000   11.27929 4.922899   10.84673   4.820436 0.4325647 6.889960 
1 1 1   32    6    3 o 40.27587 2.952343  19.68591 1.619718   21.20000 2.500000   16.90000 4.600000   42.84267 2.548022   37.70906   5.326621 5.133614 5.904685 
1 1 1   32    6    4 o 47.22800 2.071175  25.82203 1.250847   25.70000 1.800000   26.10000 4.100000   47.26803 1.662818   47.18797   3.793956 0.8006668E-01 4.142351 
1 1 1   32    6    5 o 16.15102 3.596416  2.820000 1.200000   4.700000 2.000000   0.000000 3.000000   19.45276 4.567457   12.84929   5.556544 6.603476 7.192833 
1 1 1   32    6    6 o 21.82941 3.528715  6.261111 1.320370   9.200000 2.300000   2.300000 3.100000   27.92468 3.596493   15.73414   6.072278 12.19054 7.057431 
1 1 1   32    6    7 o 68.10772 2.023103  55.67711 1.855422   57.60000 2.800000   51.90000 5.500000   70.52612 1.733595   65.68932   3.656013 4.836807 4.046206 
1 1 1   32    6    8 o 40.35210 2.970189  19.20395 1.677632   17.00000 2.500000   23.70000 5.100000   37.80799 2.887328   42.89621   5.191477 -5.088215 5.940379 
1 1 1   32    6    9 o 30.50391 2.927737  11.17931 1.406897   8.200000 2.400000   15.40000 3.400000   25.77696 4.065549   35.23086   4.214009 -9.453896 5.855473 
1 1 1   32    6   10 o 14.54341 4.307220  1.958209 1.441791   1.300000 2.100000   3.400000 4.600000   12.12501 4.895921   16.96182   7.087914 -4.836806 8.614439 
1 1 1   32    8    0 o 13.71375 4.031948 0.7288136 1.464407  0.5000000 2.700000   1.000000 3.200000   12.93801 5.420300   14.48950   5.970491 -1.551486 8.063896 
1 1 1   32    8    1 o 29.56844 3.339377  10.39688 1.593750   9.600000 3.000000   11.30000 3.400000   28.39095 4.614036   30.74593   4.828708 -2.354979 6.678753 
1 1 1   32    8    2 o 14.92537 4.193969  1.672131 1.514754  0.8000000 2.800000   2.700000 3.300000   13.32607 5.545959   16.52468   6.292840 -3.198607 8.387938 
1 1 1   32    8    3 o 18.91549 4.257585  4.425000 1.485000   3.600000 3.300000   5.100000 2.700000   17.78394 6.377345   20.04704   5.642480 -2.263098 8.515169 
1 1 1   32    8    4 f 60.07169 2.025029  41.92278 1.936709   36.50000 3.400000   49.10000 4.500000   55.74338 2.663332   64.40001   3.051169 -8.656628 4.050058 
1 1 1   32    8    5 o 17.77865 4.385490  3.517647 1.694118  0.6000000 3.200000   6.800000 3.600000   13.43206 5.773443   22.12524   6.602837 -8.693172 8.770981 
1 1 1   32    8    6 o 11.21539 3.583091 -0.8145455 1.352727  -1.600000 2.400000  0.2000000 3.100000   9.685748 4.499009   12.74504   5.577911 -3.059290 7.166183 
1 1 1   32    8    7 o 32.35000 2.455554  12.63726 1.262745   9.300000 2.300000   16.70000 2.800000   27.55322 3.644980   37.14677   3.291369 -9.593552 4.911108 
1 1 1   32   10    0 o 37.79858 2.819779  18.46935 1.491935   22.30000 2.500000   12.80000 3.700000   43.63094 2.501987   31.96622   5.054173 11.66471 5.639557 
1 1 1   32   10    1 o 34.99545 3.282758  15.41304 1.695652   8.500000 3.000000   24.40000 3.900000   25.28819 5.347294   44.70271   3.809522 -19.41451 6.565517 
1 1 1   32   10    2 o 11.90812 3.583331 0.1720000 1.242000  -1.300000 2.300000   1.900000 2.700000   9.704912 4.471210   14.11133   5.600833 -4.406423 7.166663 
1 1 1   32   10    3 o 14.75738 4.311808  1.664706 1.694118  0.3000000 3.200000   3.200000 3.600000   12.93153 5.663150   16.58323   6.503498 -3.651700 8.623616 
1 1 1   32   10    4 o 18.13229 4.170678  4.078788 1.648485  0.2000000 3.200000   8.200000 3.400000   12.59040 5.582129   23.67418   6.198229 -11.08379 8.341355 
1 1 1   33    1    0 o 102.8869 1.543829  122.2891 2.469307   127.1000 4.300000   115.8000 5.800000   105.3057 1.783021   100.4680   2.520808 4.837639 3.087658 
1 1 1   33    1    1 o 51.23956 1.385244  29.96304 1.141304   28.00000 2.100000   32.30000 2.500000   49.41445 1.855688   53.06466   2.057190 -3.650204 2.770489 
1 1 1   33    1    2 o 59.71226 1.318958  40.90392 1.274510   41.10000 2.500000   40.70000 2.600000   59.86057 1.823639   59.56395   1.906029 0.2966232 2.637917 
1 1 1   33    1    3 f 141.0910 1.490159  228.6838 3.393382   230.5000 6.500000   226.7000 7.100000   141.6968 2.003055   140.4853   2.206822 1.211548 2.980318 
1 1 1   33    1    4 o 96.78652 1.246815  107.4538 1.938461   106.3000 3.600000   108.8000 4.200000   96.24197 1.633344   97.33107   1.884246 -1.089096 2.493631 
1 1 1   33    1    5 o 57.05717 1.488521  37.45272 1.374545   37.60000 2.700000   37.30000 2.800000   57.17675 2.061978   56.93759   2.147329 0.2391586 2.977041 
1 1 1   33    1    6 f 40.66102 2.054626  19.17037 1.348148   18.60000 2.800000   19.70000 2.600000   40.05336 3.052522   41.26868   2.751012 -1.215317 4.109252 
1 1 1   33    1    7 o 44.22962 1.829880  22.80000 1.300000   26.10000 2.600000   19.50000 2.600000   47.48754 2.390746   40.97170   2.770952 6.515839 3.659760 
1 1 1   33    1    8 o 20.65977 3.883866  5.407547 1.324528   5.800000 2.600000   5.000000 2.700000   21.42817 5.322231   19.89137   5.657872 1.536806 7.767732 
1 1 1   33    1    9 o 52.34028 1.778075  32.16000 1.493333   31.20000 3.200000   33.00000 2.800000   51.50938 2.712710   53.17118   2.299437 -1.661797 3.556150 
1 1 1   33    1   10 o 24.80729 3.412101  8.188461 1.269231   9.500000 2.200000   6.400000 3.000000   28.05247 3.424454   21.56212   5.902783 6.490349 6.824202 
1 1 1   33    1   11 f 36.49637 2.241836  15.99434 1.324528   15.70000 2.600000   16.30000 2.700000   36.17114 3.138707   36.82160   3.201849 -0.6504631 4.483673 
1 1 1   33    3    0 o 193.7777 2.176880  433.1481 6.027481   436.7000 9.400000   426.8000 16.80000   195.1006 2.103821   192.4548   3.811714 2.645844 4.353760 
1 1 1   33    3    1 o 56.08369 1.634606  34.75000 1.277586   31.90000 1.900000   40.60000 3.900000   52.74769 1.572859   59.41970   2.865985 -6.672009 3.269213 
1 1 1   33    3    2 o 137.3411 1.859706  216.8581 3.724375   216.6000 5.900000   217.3000 10.10000   137.3799 1.875290   137.3023   3.212057 0.7760620E-01 3.719412 
1 1 1   33    3    3 o 82.44600 1.806597  78.47143 2.010989   78.90000 3.000000   77.60000 6.100000   82.92390 1.579724   81.96810   3.249561 0.9558029 3.613194 
1 1 1   33    3    4 o 54.97153 1.794735  35.40328 1.432787   37.10000 2.300000   32.60000 3.800000   56.83534 1.767051   53.10772   3.124393 3.727615 3.589471 
1 1 1   33    3    5 o 58.49813 1.803781  40.00606 1.575758   41.70000 2.600000   37.40000 4.000000   60.20366 1.885776   56.79261   3.075444 3.411041 3.607563 
1 1 1   33    3    6 o 22.53856 3.301178  5.500000 1.205769   1.700000 1.900000   12.10000 3.300000   13.13713 4.820549   31.93999   4.511477 -18.80286 6.602357 
1 1 1   33    3    7 o 67.17024 1.585655  52.78507 1.611940   54.80000 2.700000   49.80000 4.000000   68.94143 1.710107   65.39906   2.670719 3.542374 3.171310 
1 1 1   33    3    8 o 32.72535 3.186144  13.71333 1.418333   15.40000 2.300000   11.00000 3.700000   36.25695 2.769977   29.19374   5.738752 7.063211 6.372288 
1 1 1   33    3    9 o 75.91396 1.628882  66.18734 1.860759   62.20000 3.000000   72.70000 4.900000   73.25503 1.788231   78.57288   2.723097 -5.317848 3.257764 
1 1 1   33    3   10 o 25.77400 3.871971  8.333333 1.400000   7.200000 2.100000   10.60000 4.200000   24.29758 3.773948   27.25041   6.762098 -2.952831 7.743943 
1 1 1   33    3   11 o 23.71951 4.632003  8.077027 1.714865   6.800000 2.700000   10.30000 4.700000   22.14767 5.377172   25.29134   7.543727 -3.143679 9.264006 
1 1 1   33    5    0 o 30.42780 3.554615  11.83833 1.298333   13.20000 1.900000   8.900000 4.100000   33.88615 2.448336   26.96945   6.674339 6.916704 7.109230 
1 1 1   33    5    1 o 81.75688 1.930418  75.77684 1.932632   74.10000 2.700000   80.00000 6.800000   80.37162 1.466901   83.14214   3.571309 -2.770515 3.860835 
1 1 1   33    5    2 o 51.63173 2.230870  29.89178 1.643836   27.70000 2.500000   34.10000 4.800000   49.07056 2.224635   54.19290   3.867573 -5.122337 4.461740 
1 1 1   33    5    3 o 54.86147 1.714406  33.97334 1.393333   31.70000 2.200000   37.90000 3.800000   52.50201 1.829728   57.22092   2.899802 -4.718910 3.428813 
1 1 1   33    5    4 o 87.14685 1.803303  88.13158 2.052632   88.70000 3.000000   86.90000 6.500000   87.86800 1.490837   86.42569   3.284053 1.442314 3.606605 
1 1 1   33    5    5 o 48.51573 2.297119  28.73231 1.421538   30.80000 2.100000   24.40000 4.400000   51.69689 1.773759   45.33458   4.238019 6.362312 4.594238 
1 1 1   33    5    6 o 52.02296 2.076296  31.90448 1.567164   32.80000 2.500000   30.40000 4.200000   53.26723 2.049366   50.77869   3.611665 2.488533 4.152593 
1 1 1   33    5    7 o 45.75364 2.294236  24.82727 1.553030   24.60000 2.500000   25.20000 4.100000   45.87337 2.379683   45.63390   3.923160 0.2394791 4.588471 
1 1 1   33    5    8 o 16.33071 4.139626  3.300000 1.400000   2.700000 2.800000   3.900000 2.800000   15.38182 5.811171   17.27961   5.897143 -1.897792 8.279251 
1 1 1   33    5    9 o 33.59670 3.647686  15.17826 1.565217   16.50000 2.400000   12.70000 4.500000   37.28419 2.810776   29.90920   6.732160 7.374994 7.295371 
1 1 1   33    5   10 o 16.29420 4.127411  3.101449 1.498551   4.600000 2.200000 -0.1000000 4.700000   18.29599 5.073517   14.29242   6.511645 4.003573 8.254823 
1 1 1   33    7    0 o 18.43943 3.555180  4.100000 1.150000   5.900000 2.300000   2.300000 2.300000   21.98087 4.710672   14.89800   5.326048 7.082869 7.110360 
1 1 1   33    7    1 o 53.19718 1.567536  32.59629 1.348148   35.50000 2.800000   29.90000 2.600000   55.48119 2.203697   50.91317   2.229887 4.568020 3.135072 
1 1 1   33    7    2 o 36.73575 2.266727  15.62222 1.333333   14.20000 2.400000   17.40000 3.000000   34.91460 3.001539   38.55690   3.397495 -3.642303 4.533454 
1 1 1   33    7    3 o 16.81983 3.878996  3.139623 1.324528   5.200000 2.600000   1.000000 2.700000   20.25226 5.474909   13.38741   5.496526 6.864851 7.757991 
1 1 1   33    7    4 o 77.37289 1.558157  69.43590 1.948718   63.20000 3.800000   76.00000 4.000000   73.78714 2.248757   80.95865   2.157429 -7.171509 3.116313 
1 1 1   33    7    5 o 48.45570 2.070843  27.74000 1.624615   28.40000 3.300000   27.10000 3.200000   49.01758 2.939692   47.89382   2.917496 1.123764 4.141686 
1 1 1   33    7    6 o 12.47402 3.859124 -0.4955882 1.522059   1.500000 2.300000  -4.400000 4.500000   12.97285 5.162899   11.97518   5.737232 0.9976759 7.718248 
1 1 1   33    7    7 o 34.94846 4.321033  18.47683 1.810976   22.00000 2.700000   11.30000 5.500000   43.08931 2.736112   26.80760   8.197498 16.28171 8.642065 
1 1 1   33    7    8 o 32.73970 4.071861  14.59500 1.820000   14.00000 2.800000   15.70000 5.200000   33.63084 3.635465   31.84856   7.287222 1.782282 8.143723 
1 1 1   33    9    0 o 54.88042 2.054866  35.00959 1.808219   28.50000 3.300000   42.90000 4.000000   49.28074 2.923993   60.48011   2.887933 -11.19936 4.109732 
1 1 1   33    9    1 o 12.35143 3.749330 0.3685185 1.342593  0.6000000 2.500000  0.1000000 2.900000   12.25370 5.178819   12.44916   5.423075 -0.1954565 7.498660 
1 1 1   33    9    2 o 19.09685 4.355241  4.821875 1.585938   6.000000 2.900000   3.400000 3.500000   21.11179 5.813530   17.08191   6.486552 4.029881 8.710482 
1 1 1   33    9    3 o 11.71008 3.816426 -2.408823 1.676471  -5.100000 3.000000   1.000000 3.800000   8.875922 4.350515   14.54425   6.271639 -5.668325 7.632852 
1 1 1   33    9    4 o 15.59615 4.075477  1.696875 1.593750  -2.100000 3.000000   6.000000 3.400000   10.59669 4.957735   20.59560   6.469846 -9.998910 8.150954 
1 1 1   33    9    5 o 12.06664 3.906237 -0.9405797 1.724638 -0.3000000 3.400000  -1.600000 3.500000   12.47295 5.624835   11.66033   5.421805 0.8126183 7.812473 
1 1 1   33   11    0 o 16.44350 4.195056  2.993750 1.593750 -0.1000000 3.000000   6.500000 3.400000   12.00768 5.359321   20.87932   6.455359 -8.871640 8.390112 
1 1 1   34    0    0 o 57.66908 1.668949  38.20000 2.200000   38.20000 2.200000   38.20000 2.200000   57.66908 1.668949   57.66908   1.668949 0.000000 0.000000 
1 1 1   34    0    1 o 37.19277 2.612485  16.10000 2.200000   16.10000 2.200000   16.10000 2.200000   37.19277 2.612485   37.19277   2.612485 0.000000 0.000000 
1 1 1   34    0    2 o 11.11437 5.521422  2.100000 1.700000   2.100000 1.700000   2.100000 1.700000   11.11437 5.521422   11.11437   5.521422 0.000000 0.000000 
1 1 1   34    0    3 f 151.3749 3.263023  263.9000 11.30000   263.9000 11.30000   263.9000 11.30000   151.3749 3.263023   151.3749   3.263023 0.000000 0.000000 
1 1 1   34    0    4 o 80.15709 1.799726  73.80000 3.300000   73.80000 3.300000   73.80000 3.300000   80.15709 1.799726   80.15709   1.799726 0.000000 0.000000 
1 1 1   34    0    5 o 7.494232 4.868111 -0.1000000 2.000000 -0.1000000 2.000000 -0.1000000 2.000000   7.494232 4.868111   7.494232   4.868111 0.000000 0.000000 
1 1 1   34    0    6 o 33.44646 3.633687  13.40000 2.700000   13.40000 2.700000   13.40000 2.700000   33.44646 3.633687   33.44646   3.633687 0.000000 0.000000 
1 1 1   34    0    7 o 9.811363 6.460228 -0.4000000 3.700000 -0.4000000 3.700000 -0.4000000 3.700000   9.811363 6.460228   9.811363   6.460228 0.000000 0.000000 
1 1 1   34    0    8 o 26.79393 5.968821  9.700000 3.200000   9.700000 3.200000   9.700000 3.200000   26.79393 5.968821   26.79393   5.968821 0.000000 0.000000 
1 1 1   34    0    9 o 23.95241 5.436625  7.800000 2.600000   7.800000 2.600000   7.800000 2.600000   23.95241 5.436625   23.95241   5.436625 0.000000 0.000000 
1 1 1   34    0   10 o 15.19322 7.261378  4.300000 2.900000   4.300000 2.900000   4.300000 2.900000   15.19322 7.261378   15.19322   7.261378 0.000000 0.000000 
1 1 1   34    0   11 o 9.830610 6.298301 0.8000000 3.200000  0.8000000 3.200000  0.8000000 3.200000   9.830610 6.298301   9.830610   6.298301 0.000000 0.000000 
1 1 1   34    2    0 o 61.88900 1.390323  44.27222 1.283333   45.40000 2.100000   42.50000 3.300000   62.93554 1.457012   60.84247   2.368355 2.093067 2.780645 
1 1 1   34    2    1 o 120.9065 1.578439  165.3300 2.730000   159.1000 4.200000   176.9000 7.800000   117.7914 1.556952   124.0216   2.746230 -6.230194 3.156878 
1 1 1   34    2    2 o 129.6494 1.776803  193.0732 3.177465   192.6000 4.800000   194.0000 9.400000   129.5768 1.617535   129.7220   3.164126 -0.1452026 3.553606 
1 1 1   34    2    3 o 104.9268 1.531860  125.9584 2.344554   124.2000 3.700000   129.0000 6.400000   104.0367 1.552940   105.8169   2.640976 -1.780182 3.063720 
1 1 1   34    2    4 o 61.22070 1.791939  43.73582 1.510448   44.80000 2.300000   41.70000 4.400000   62.45480 1.608058   59.98659   3.202862 2.468216 3.583877 
1 1 1   34    2    5 o 60.36404 1.744083  42.67538 1.513846   44.30000 2.400000   39.90000 4.100000   62.07669 1.688194   58.65139   3.052427 3.425301 3.488167 
1 1 1   34    2    6 o 8.945463 3.038622 -2.872340 1.110638  -3.600000 1.800000  -1.700000 2.900000   6.794697 3.338345   11.09623   5.078223 -4.301534 6.077244 
1 1 1   34    2    7 o 15.61618 3.674254  2.717021 1.021277   3.100000 1.500000   1.900000 3.200000   15.86060 4.099744   15.37176   6.098579 0.4888430 7.348507 
1 1 1   34    2    8 o 73.21799 1.683409  63.31818 1.831169   65.50000 3.000000   59.90000 4.700000   75.20654 1.741828   71.22942   2.881231 3.977119 3.366817 
1 1 1   34    2    9 o 45.21711 2.322352  25.04000 1.560000   26.80000 2.600000   22.40000 3.900000   47.75552 2.377330   42.67871   3.990185 5.076813 4.644704 
1 1 1   34    2   10 o 20.11498 3.993767  5.593220 1.379661   6.600000 2.200000   3.900000 3.700000   22.67048 4.396084   17.55948   6.668970 5.110996 7.987535 
1 1 1   34    4    0 o 68.67053 1.675849  52.97606 1.518310   50.90000 2.200000   57.60000 4.900000   66.62698 1.441824   70.71409   3.025728 -4.087112 3.351699 
1 1 1   34    4    1 o 99.74677 1.580980  114.6000 2.250000   115.1000 3.500000   113.7000 6.300000   100.1621 1.525824   99.33147   2.769449 0.8305817 3.161960 
1 1 1   34    4    2 o 79.74115 1.580832  73.13461 1.765385   73.10000 2.700000   73.20000 5.100000   79.81819 1.477072   79.66411   2.795421 0.1540833 3.161664 
1 1 1   34    4    3 o 56.69951 1.400390  36.95882 1.250980   36.70000 2.200000   37.30000 2.900000   56.50740 1.700032   56.89161   2.225817 -0.3842125 2.800780 
1 1 1   34    4    4 o 39.75917 1.922566  17.36000 1.178000   12.80000 1.900000   24.80000 3.100000   33.27829 2.493057   46.24005   2.927407 -12.96176 3.845133 
1 1 1   34    4    5 o 63.44009 1.833681  47.47465 1.619718   49.20000 2.500000   44.30000 4.600000   65.35966 1.670205   61.52051   3.264958 3.839157 3.667361 
1 1 1   34    4    6 o 43.26068 2.410373  20.93182 1.431818   18.80000 2.100000   25.50000 4.500000   40.28035 2.276490   46.24100   4.249374 -5.960648 4.820745 
1 1 1   34    4    7 o 25.06403 3.350029  7.186207 1.339655   1.900000 2.100000   16.50000 3.700000   13.48195 5.045185   36.64612   4.408730 -23.16417 6.700058 
1 1 1   34    4    8 o 31.19335 3.019848  11.85246 1.475410   10.50000 2.500000   13.80000 3.600000   29.35773 3.718409   33.02896   4.759346 -3.671232 6.039697 
1 1 1   34    4    9 o 18.75160 3.814574  4.480000 1.200000   2.800000 2.000000   7.000000 3.000000   14.90893 4.984500   22.59428   5.775696 -7.685356 7.629148 
1 1 1   34    6    0 o 60.44334 1.376398  41.56667 1.333333   36.10000 2.400000   48.40000 3.000000   56.03109 1.870346   64.85558   2.019824 -8.824490 2.752795 
1 1 1   34    6    1 o 44.40077 2.335655  22.62985 1.629851   21.00000 2.800000   24.90000 3.900000   42.58943 2.870754   46.21212   3.685093 -3.622684 4.671310 
1 1 1   34    6    2 f 95.07834 1.814636  104.2585 2.344340   103.4000 3.500000   106.0000 7.100000   94.81316 1.611904   95.34351   3.251673 -0.5303421 3.629272 
1 1 1   34    6    3 f 44.28506 2.400414  22.66667 1.466667   21.90000 2.200000   24.20000 4.400000   43.49799 2.208479   45.07214   4.262695 -1.574150 4.800828 
1 1 1   34    6    4 o 19.18684 4.321990  4.363492 1.365079   4.300000 2.000000   4.500000 4.300000   18.56293 4.699956   19.81074   7.254573 -1.247807 8.643981 
1 1 1   34    6    5 o 19.80489 4.221014  4.906667 1.298333   4.400000 1.900000   6.000000 4.100000   18.58218 4.510280   21.02761   7.136190 -2.445436 8.442028 
1 1 1   34    6    6 o 37.22840 2.945314  16.01061 1.262121   14.80000 1.700000   19.50000 4.900000   35.62357 2.083777   38.83324   5.509753 -3.209675 5.890629 
1 1 1   34    6    7 o 18.17194 4.059450  4.114706 1.323529   5.200000 1.800000   1.100000 5.000000   20.28209 4.017329   16.06179   7.055325 4.220297 8.118900 
1 1 1   34    6    8 o 52.80646 1.994709  33.28358 1.611940   32.80000 2.700000   34.00000 4.000000   52.76478 2.234392   52.84814   3.304988 -0.8336639E-01 3.989418 
1 1 1   34    8    0 o 42.35230 2.310231  21.10159 1.574603   24.20000 3.200000   18.10000 3.100000   45.48056 3.072302   39.22404   3.451033 6.256523 4.620462 
1 1 1   34    8    1 o 18.58710 4.043675  4.205085 1.454237   6.100000 2.600000   1.800000 3.300000   21.89209 5.253017   15.28212   6.149069 6.609968 8.087351 
1 1 1   34    8    2 o 50.54472 1.850702  30.11034 1.339655   30.40000 2.100000   29.60000 3.700000   51.21851 1.790326   49.87094   3.239619 1.347569 3.701405 
1 1 1   34    8    3 o 52.09185 1.748483  31.84068 1.474576   32.40000 3.000000   31.30000 2.900000   52.53085 2.493713   51.65285   2.451565 0.8779984 3.496967 
1 1 1   34    8    4 o 17.97102 4.345150  4.229508 1.504918   3.300000 2.700000   5.400000 3.400000   16.22060 5.773627   19.72144   6.495118 -3.500841 8.690301 
1 1 1   34    8    5 o 10.79376 3.625081 -2.888235 1.676471  -2.800000 3.000000  -3.000000 3.800000   10.09906 4.795147   11.48847   5.437960 -1.389419 7.250162 
1 1 1   34   10    0 o 34.46402 3.098267  14.64493 1.707246   11.50000 3.100000   18.50000 3.800000   30.33595 4.462146   38.59210   4.299569 -8.256149 6.196535 
1 1 1   34   10    1 o 15.94149 3.643446  1.763934 1.504918   6.500000 2.700000  -4.200000 3.400000   21.81823 5.426259   10.06475   4.863591 11.75347 7.286892 
1 1 1   34   10    2 o 18.34107 3.940932  3.911111 1.565079   9.200000 3.400000 -0.6000000 2.900000   25.31439 5.962976   11.36775   5.154288 13.94664 7.881864 
1 1 1   35    1    0 o 57.83014 1.499804  38.14000 1.298182   37.30000 2.100000   39.50000 3.400000   57.03270 1.607811   58.62758   2.532309 -1.594879 2.999607 
1 1 1   35    1    1 o 57.37816 1.412470  37.70770 1.269231   37.20000 2.200000   38.40000 3.000000   56.94429 1.686989   57.81203   2.265910 -0.8677483 2.824939 
1 1 1   35    1    2 o 64.53155 1.570808  47.68000 1.578462   49.20000 3.800000   46.60000 2.700000   65.36492 2.538508   63.69817   1.850873 1.666752 3.141616 
1 1 1   35    1    3 o 43.67799 2.301182  22.11539 1.624615   23.10000 3.200000   21.10000 3.300000   44.68518 3.126987   42.67079   3.376937 2.014393 4.602364 
1 1 1   35    1    4 o 85.96178 1.383550  85.02467 1.922078   85.70000 4.000000   84.40000 3.700000   86.27476 2.024492   85.64880   1.886341 0.6259537 2.767101 
1 1 1   35    1    5 o 67.72546 1.459808  52.95000 1.600000   55.10000 3.200000   50.80000 3.200000   69.11166 2.021801   66.33926   2.106295 2.772408 2.919616 
1 1 1   35    1    6 o 31.30280 2.248278  11.58889 1.124444   13.30000 2.200000   9.800000 2.300000   33.76011 2.845500   28.84549   3.481687 4.914619 4.496556 
1 1 1   35    1    7 o 18.42120 3.504433  4.290698 1.069767   5.200000 2.300000   3.500000 2.000000   20.16958 5.003454   16.67282   4.908122 3.496761 7.008867 
1 1 1   35    1    8 o 20.34658 3.862904  5.384906 1.313208   3.800000 2.400000   7.300000 2.900000   17.17467 5.440825   23.51849   5.485028 -6.343813 7.725808 
1 1 1   35    1    9 o 30.85592 2.353081  11.49348 1.115217   11.70000 1.900000   11.20000 2.700000   31.46945 2.636356   30.24239   3.898409 1.227066 4.706163 
1 1 1   35    1   10 o 24.14803 3.621187  7.927272 1.374545   6.700000 2.700000   9.200000 2.800000   21.97938 5.402279   26.31668   4.823627 -4.337297 7.242375 
1 1 1   35    3    0 o 92.83104 1.364095  98.80000 2.900000   98.80000 2.900000          ?        ?   92.83104 1.364095          ?          ?       ?       ? 
1 1 1   35    3    1 o 58.56676 1.585659  39.46667 1.266667   39.50000 1.900000   39.40000 3.800000   58.68159 1.413811   58.45193   2.838732 0.2296524 3.171319 
1 1 1   35    3    2 o 82.15486 1.462509  76.89867 1.698667   75.20000 2.600000   80.10000 4.900000   80.95645 1.402367   83.35328   2.566925 -2.396828 2.925019 
1 1 1   35    3    3 o 48.56194 2.033021  26.90000 1.560938   24.20000 2.700000   30.60000 3.700000   45.76880 2.575930   51.35508   3.145995 -5.586285 4.066042 
1 1 1   35    3    4 o 81.38562 1.515643  76.95584 1.807792   78.50000 2.900000   74.40000 4.800000   82.63212 1.532459   80.13913   2.615389 2.492989 3.031286 
1 1 1   35    3    5 o 26.61564 3.076894  8.804167 1.097917   9.300000 1.700000   7.900000 3.100000   28.27458 2.625382   24.95670   5.565652 3.317884 6.153789 
1 1 1   35    3    6 o 19.24301 3.438863  4.676923 1.230769   7.100000 2.000000  0.8000000 3.200000   24.50105 3.564388   13.98496   5.882027 10.51609 6.877725 
1 1 1   35    3    7 o 59.84761 1.687293  41.03594 1.473437   38.70000 2.300000   45.20000 4.100000   57.81464 1.737119   61.88058   2.893138 -4.065933 3.374586 
1 1 1   35    3    8 o 15.93866 4.231493  2.550000 1.365000  0.8000000 2.100000   5.800000 3.900000   11.61787 4.816304   20.25946   6.958834 -8.641595 8.462987 
1 1 1   35    3    9 o 19.79244 3.948949  5.400000 1.312500   6.000000 2.100000   4.400000 3.500000   21.53799 4.406020   18.04688   6.554676 3.491104 7.897898 
1 1 1   35    5    0 o 14.79870 3.960531  1.876923 1.107692   1.600000 1.600000   2.500000 3.600000   12.52439 4.445973   17.07302   6.555649 -4.548622 7.921062 
1 1 1   35    5    1 f 22.80990 3.566018  5.337736 1.075472   3.300000 1.500000   10.50000 3.800000   16.47821 4.012336   29.14158   5.896364 -12.66336 7.132037 
1 1 1   35    5    2 o 36.65573 2.911634  15.90909 1.527273   16.20000 2.400000   15.40000 4.200000   37.37923 2.803630   35.93223   5.103932 1.447002 5.823269 
1 1 1   35    5    3 o 53.89959 1.780328  32.55333 1.298333   30.40000 1.900000   37.20000 4.100000   51.38692 1.614510   56.41227   3.173584 -5.025352 3.560657 
1 1 1   35    5    4 o 57.37485 1.898906  35.68000 1.508572   30.40000 2.200000   47.20000 4.800000   51.32303 1.871760   63.42667   3.304525 -12.10363 3.797811 
1 1 1   35    5    5 o 33.49119 3.443939  15.33226 1.419355   18.10000 2.200000   10.30000 4.000000   39.35506 2.440967   27.62732   6.440850 11.72774 6.887878 
1 1 1   35    5    6 o 18.39121 4.165446  4.322581 1.388710   5.000000 2.100000   3.000000 4.100000   19.67604 4.720790   17.10638   6.864249 2.569662 8.330893 
1 1 1   35    5    7 o 21.75888 3.747131  6.715873 1.431746   9.300000 2.200000   1.900000 4.100000   27.74803 3.462025   15.76974   6.646679 11.97829 7.494262 
1 1 1   35    5    8 o 25.64663 4.060250  9.374627 1.591045   10.50000 2.600000   7.600000 4.100000   29.05015 3.908091   22.24312   7.118240 6.807028 8.120500 
1 1 1   35    7    0 o 13.72745 3.581251 0.8941175 1.262745   3.600000 2.300000  -2.400000 2.800000   17.16265 5.309910   10.29226   4.806901 6.870387 7.162503 
1 1 1   35    7    1 o 38.14896 2.105549  16.99615 1.298077   16.90000 2.500000   17.10000 2.700000   38.06397 2.867911   38.23394   3.083575 -0.1699638 4.211098 
1 1 1   35    7    2 o 30.81073 2.663552  11.17170 1.286792   10.30000 2.200000   12.40000 3.100000   29.53848 3.252177   32.08298   4.219167 -2.544500 5.327103 
1 1 1   35    7    3 o 14.27799 3.888584  1.711111 1.348148   0.000000 2.800000   3.300000 2.600000   12.16701 5.313653   16.38897   5.678858 -4.221953 7.777168 
1 1 1   35    7    4 o 49.95084 2.936591  31.79775 2.143820   35.60000 3.600000   26.20000 5.300000   54.72593 2.872427   45.17575   5.122833 9.550175 5.873181 
1 1 1   35    7    5 o 17.57020 4.627999  3.580000 1.544286   2.200000 2.300000   6.400000 4.700000   14.08523 5.278195   21.05517   7.603561 -6.969938 9.255998 
1 1 1   35    7    6 o 23.60623 3.861741  7.631034 1.434483   6.600000 2.600000   8.900000 3.200000   21.95152 5.243793   25.26094   5.670522 -3.309416 7.723483 
1 1 1   35    9    0 o 14.24312 4.172298  1.346154 1.615385   2.500000 3.000000   0.000000 3.500000   15.27207 5.951284   13.21417   5.849315 2.057905 8.344596 
1 1 1   35    9    1 o 27.86475 2.997482  9.882353 1.262745   11.10000 2.300000   8.400000 2.800000   30.38317 3.305480   25.34633   5.001339 5.036839 5.994964 
1 1 1   35    9    2 o 14.05994 4.199966  1.097059 1.676471   2.200000 3.000000 -0.3000000 3.800000   14.78123 5.892079   13.33866   5.986841 1.442568 8.399933 
1 1 1   35    9    3 o 11.07821 3.661075 -1.554839 1.470968  -2.600000 2.400000  0.1000000 3.800000   8.794401 4.207146   13.36201   5.992813 -4.567613 7.322150 
1 1 1   36    0    0 o 58.93584 1.632817  39.90000 2.200000   39.90000 2.200000   39.90000 2.200000   58.93584 1.632817   58.93584   1.632817 0.000000 0.000000 
1 1 1   36    0    1 o 11.95949 5.417701  2.400000 1.600000   2.400000 1.600000   2.400000 1.600000   11.95949 5.417701   11.95949   5.417701 0.000000 0.000000 
1 1 1   36    0    2 o 5.938871 4.131790 -1.800000 2.000000  -1.800000 2.000000  -1.800000 2.000000   5.938871 4.131790   5.938871   4.131790 0.000000 0.000000 
1 1 1   36    0    3 o 70.15971 1.807598  56.60000 2.900000   56.60000 2.900000   56.60000 2.900000   70.15971 1.807598   70.15971   1.807598 0.000000 0.000000 
1 1 1   36    0    4 o 22.31219 4.401335  6.400000 2.000000   6.400000 2.000000   6.400000 2.000000   22.31219 4.401335   22.31219   4.401335 0.000000 0.000000 
1 1 1   36    0    5 o 37.23431 2.488224  16.20000 2.100000   16.20000 2.100000   16.20000 2.100000   37.23431 2.488224   37.23431   2.488224 0.000000 0.000000 
1 1 1   36    0    6 o 109.4500 2.036260  138.1000 5.100000   138.1000 5.100000   138.1000 5.100000   109.4500 2.036260   109.4500   2.036260 0.000000 0.000000 
1 1 1   36    0    7 f 19.81706 6.468859  6.000000 2.600000   6.000000 2.600000   6.000000 2.600000   19.81706 6.468859   19.81706   6.468859 0.000000 0.000000 
1 1 1   36    0    8 o 17.23075 6.986900  5.100000 2.700000   5.100000 2.700000   5.100000 2.700000   17.23075 6.986900   17.23075   6.986900 0.000000 0.000000 
1 1 1   36    0    9 o 39.65221 3.128185  18.80000 2.800000   18.80000 2.800000   18.80000 2.800000   39.65221 3.128185   39.65221   3.128185 0.000000 0.000000 
1 1 1   36    2    0 o 77.17375 1.354911  68.18182 1.553030   67.50000 2.500000   69.30000 4.100000   76.71632 1.422958   77.63117   2.306149 -0.9148483 2.709821 
1 1 1   36    2    1 o 102.7794 1.486968  121.2000 3.500000   121.2000 3.500000          ?        ?   102.7794 1.486968          ?          ?       ?       ? 
1 1 1   36    2    2 o 44.84267 1.982031  24.03774 1.188679   25.60000 1.800000   21.00000 3.500000   47.20156 1.665159   42.48378   3.597366 4.717785 3.964063 
1 1 1   36    2    3 o 19.15768 3.786178  4.460000 1.320000   6.300000 2.200000   1.700000 3.300000   22.79541 4.373275   15.51995   6.181831 7.275454 7.572356 
1 1 1   36    2    4 o 21.77787 3.381593  5.570213 1.110638   4.000000 1.800000   8.100000 2.900000   18.00831 4.401659   25.54743   5.134791 -7.539120 6.763186 
1 1 1   36    2    5 o 77.55379 1.723090  69.52683 1.810976   69.00000 2.700000   70.60000 5.500000   77.42321 1.522763   77.68436   3.091497 -0.2611542 3.446180 
1 1 1   36    2    6 o 46.75546 1.985629  25.87895 1.298246   26.30000 2.000000   25.10000 3.700000   47.65284 1.832656   45.85809   3.523104 1.794746 3.971258 
1 1 1   36    2    7 o 13.33007 3.848819 0.8111111 1.283333 -0.9000000 2.100000   3.500000 3.300000   9.631636 4.374420   17.02850   6.333882 -7.396868 7.697637 
1 1 1   36    2    8 o 16.83956 4.028981  3.303226 1.470968   5.200000 2.400000  0.3000000 3.800000   19.74923 5.225390   13.92989   6.134007 5.819336 8.057961 
1 1 1   36    2    9 o 30.30626 3.028592  11.13667 1.418333   8.300000 2.300000   15.70000 3.700000   25.77065 3.897105   34.84187   4.637031 -9.071217 6.057184 
1 1 1   36    4    0 o 76.64216 1.827168  67.68929 1.755952   67.60000 2.500000   67.90000 5.900000   76.75028 1.422328   76.53403   3.366178 0.2162476 3.654336 
1 1 1   36    4    1 o 45.01274 2.546546  23.79394 1.262121   24.00000 1.700000   23.20000 4.900000   45.70076 1.624296   44.32473   4.827137 1.376022 5.093093 
1 1 1   36    4    2 o 44.73078 1.702438  22.75625 1.097917   21.80000 1.700000   24.50000 3.100000   43.52971 1.705308   45.93186   2.947049 -2.402153 3.404875 
1 1 1   36    4    3 o 64.95774 1.759236  46.39167 1.527778   41.90000 2.200000   56.60000 5.000000   60.32969 1.592323   69.58579   3.137539 -9.256100 3.518472 
1 1 1   36    4    4 o 85.37292 1.617929  84.49186 1.982558   84.60000 3.100000   84.30000 5.500000   85.71188 1.579284   85.03396   2.824295 0.6779251 3.235858 
1 1 1   36    4    5 o 23.50622 3.223766  7.545652 1.115217   9.900000 1.900000   4.200000 2.700000   28.97832 2.862992   18.03413   5.777019 10.94419 6.447532 
1 1 1   36    4    6 o 18.50208 4.166681  4.486667 1.393333   5.000000 2.200000   3.600000 3.800000   19.54682 4.918584   17.45733   6.726995 2.089487 8.333363 
1 1 1   36    4    7 o 11.66127 3.220894 -0.2754718 1.075472   2.300000 1.500000  -6.800000 3.800000   13.58872 4.300980   9.733826   4.795644 3.854897 6.441788 
1 1 1   36    4    8 o 19.21738 3.811429  5.136000 1.232000   5.400000 2.200000   4.800000 2.800000   20.02134 4.849449   18.41343   5.881396 1.607912 7.622859 
1 1 1   36    6    0 o 39.47526 2.142472  19.04706 1.235294   22.30000 2.100000   14.40000 3.000000   43.94953 2.086434   35.00098   3.742663 8.948551 4.284943 
1 1 1   36    6    1 f 21.87206 3.955182  5.810526 1.231579   5.400000 1.800000   6.700000 3.900000   21.04547 3.877552   22.69865   6.894814 -1.653181 7.910365 
1 1 1   36    6    2 o 18.65759 4.466035  3.872308 1.344615   3.200000 1.900000   5.500000 4.600000   16.12287 4.793513   21.19230   7.536851 -5.069439 8.932071 
1 1 1   36    6    3 o 29.37971 2.394746  9.900000 1.080000   5.900000 1.800000   15.90000 2.700000   22.19108 3.541879   36.56834   3.224024 -14.37726 4.789493 
1 1 1   36    6    4 o 24.76891 4.200831  7.674627 1.477612   6.000000 2.200000   11.10000 4.500000   21.62965 4.583742   27.90817   7.041111 -6.278522 8.401662 
1 1 1   36    6    5 o 16.37209 4.117668  2.849254 1.510448   4.600000 2.300000 -0.5000000 4.400000   18.59789 5.198350   14.14630   6.387324 4.451586 8.235336 
1 1 1   36    6    6 o 11.79221 3.863576 -2.581250 1.375000  -5.300000 2.000000   3.400000 4.400000   6.379250 3.196849   17.20516   7.034845 -10.82591 7.727152 
1 1 1   36    8    0 o 40.03861 2.060294  19.02641 1.320755   17.60000 2.800000   20.30000 2.500000   38.49662 3.175961   41.58060   2.625360 -3.083984 4.120588 
1 1 1   36    8    1 o 16.14351 4.047071  2.813793 1.448276  0.4000000 2.800000   5.400000 3.000000   12.44595 5.375145   19.84105   6.051690 -7.395101 8.094142 
1 1 1   36    8    2 o 13.85609 3.971970  1.215517 1.443103 -0.6000000 2.700000   3.300000 3.100000   11.23452 5.044173   16.47766   6.136979 -5.243135 7.943940 
1 1 1   36    8    3 o 25.01714 3.639228  8.299999 1.450000   6.700000 2.900000   9.900000 2.900000   22.04210 5.701875   27.99218   4.523776 -5.950073 7.278456 
1 1 1   36    8    4 o 28.62715 3.725402  11.73077 1.621538   16.50000 3.100000   6.500000 3.400000   36.42961 3.715753   20.82469   6.458148 15.60491 7.450805 
1 1 1   37    1    0 o 66.48696 1.423447  50.68475 1.352542   50.40000 2.100000   51.20000 3.800000   66.28777 1.383329   66.68615   2.488214 -0.3983765 2.846894 
1 1 1   37    1    1 o 108.6949 1.670823  136.9669 2.779130   140.4000 4.700000   132.0000 6.800000   110.5068 1.857157   106.8830   2.778049 3.623756 3.341645 
1 1 1   37    1    2 o 78.29713 1.455369  70.56986 1.783562   70.40000 3.100000   70.80000 4.200000   78.25172 1.729846   78.34253   2.340946 -0.9080505E-01 2.910738 
1 1 1   37    1    3 o 37.93205 1.694686  16.65854 0.9951220   16.60000 2.400000   16.70000 1.700000   37.80798 2.771836   38.05613   1.950581 -0.2481537 3.389372 
1 1 1   37    1    4 o 17.78277 3.539162  3.930233 1.074419   3.100000 2.100000   4.800000 2.200000   16.01079 5.091269   19.55476   4.917485 -3.543968 7.078325 
1 1 1   37    1    5 o 36.25842 2.087997  15.42653 1.224490   16.60000 2.500000   14.30000 2.400000   37.62495 2.901375   34.89190   3.003491 2.733044 4.175995 
1 1 1   37    1    6 o 15.69630 3.660569  2.390196 1.274510   5.500000 2.600000 -0.6000000 2.500000   20.45377 5.451638   10.93883   4.886585 9.514937 7.321139 
1 1 1   37    1    7 o 23.21847 3.559136  7.084615 1.298077   7.500000 2.700000   6.700000 2.500000   23.85299 5.097302   22.58394   4.968632 1.269058 7.118271 
1 1 1   37    1    8 o 19.98718 3.400878  4.998113 1.320755   9.700000 2.800000  0.8000000 2.500000   27.72345 4.410121   12.25091   5.178294 15.47254 6.801756 
1 1 1   37    3    0 o 55.65762 1.443878  35.72000 1.152000   35.90000 1.800000   35.40000 3.200000   55.92614 1.405392   55.38910   2.522699 0.5370483 2.887756 
1 1 1   37    3    1 o 16.40398 3.475792  3.133333 0.9333333   3.400000 1.400000   2.600000 2.800000   16.75429 3.743089   16.05368   5.857798 0.7006149 6.951583 
1 1 1   37    3    2 o 16.39358 3.810911  2.700000 1.066667   1.300000 1.600000   5.500000 3.200000   11.82148 4.407729   20.96568   6.218046 -9.144200 7.621821 
1 1 1   37    3    3 o 94.05590 1.617807  103.4766 2.170213   105.9000 3.400000   99.20000 6.000000   95.90046 1.548096   92.21134   2.841232 3.689117 3.235614 
1 1 1   37    3    4 o 40.97484 1.987224  18.80755 1.245283   15.60000 2.000000   24.10000 3.300000   36.64828 2.382957   45.30140   3.180841 -8.653122 3.974448 
1 1 1   37    3    5 o 41.89265 2.313000  20.81000 1.365000   20.60000 2.100000   21.20000 3.900000   42.04121 2.181141   41.74409   4.079522 0.2971115 4.626000 
1 1 1   37    3    6 o 57.72324 1.799928  38.06567 1.567164   33.70000 2.500000   45.40000 4.200000   53.73601 2.031488   61.71047   2.971872 -7.974464 3.599857 
1 1 1   37    3    7 o 12.13179 3.767513 0.2527272 1.243636 -0.3000000 1.900000   1.300000 3.600000   9.726869 4.307476   14.53671   6.182415 -4.809838 7.535025 
1 1 1   37    3    8 o 18.37735 4.307362  4.728333 1.418333   4.000000 2.300000   5.900000 3.700000   17.02186 5.317099   19.73283   6.778048 -2.710964 8.614724 
1 1 1   37    5    0 o 14.37338 3.467049  1.871428 1.000000   3.100000 1.400000  -1.200000 3.500000   15.92748 3.875088   12.81927   5.750253 3.108213 6.934098 
1 1 1   37    5    1 o 41.65607 2.132783  19.95454 1.210909   19.30000 1.800000   21.30000 3.700000   40.88194 1.922564   42.43021   3.807730 -1.548279 4.265567 
1 1 1   37    5    2 o 11.18742 3.537808 -0.6520000 1.122000  -1.400000 1.700000  0.8000000 3.300000   8.148328 3.785412   14.22650   5.977875 -6.078176 7.075615 
1 1 1   37    5    3 f 35.22503 2.832645  15.16667 1.333333   15.50000 2.000000   14.50000 4.000000   36.42171 2.397780   34.02835   5.132852 2.393353 5.665291 
1 1 1   37    5    4 o 12.14245 3.874966     -0.06 1.233871  0.1000000 1.700000 -0.5000000 4.500000   9.804173 4.210913   14.48073   6.506124 -4.676555 7.749932 
1 1 1   37    5    5 o 17.61872 4.311351  3.090625 1.410937  0.4000000 2.100000   8.600000 4.300000   11.08010 4.717339   24.15733   7.217875 -13.07723 8.622703 
1 1 1   37    5    6 o 33.08366 3.513515  13.79275 1.498551   12.90000 2.200000   15.70000 4.700000   32.83108 2.926020   33.33625   6.388863 -0.5051727 7.027031 
1 1 1   37    7    0 o 35.05729 2.465479  14.57143 1.383929   13.50000 2.500000   15.90000 3.100000   33.72269 3.237110   36.39188   3.719605 -2.669193 4.930958 
1 1 1   37    7    1 o 22.25196 3.173857  6.340816 1.220408   11.70000 2.600000   1.600000 2.300000   31.21235 3.637362   13.29156   5.202219 17.92079 6.347715 
1 1 1   37    7    2 f 16.00610 4.642504  1.939474 1.677632 -0.1000000 2.500000   6.100000 5.100000   11.31454 4.979006   20.69765   7.837147 -9.383111 9.285008 
1 1 1   37    7    3 o 25.83983 4.578104  8.353847 1.534615   6.900000 2.100000   12.30000 5.700000   23.74689 3.861465   27.93277   8.302123 -4.185877 9.156209 
1 1 1   37    7    4 f 26.68836 3.358553  9.078947 1.389474   6.300000 2.400000   12.90000 3.300000   21.63897 4.950339   31.73775   4.540226 -10.09878 6.717106 
1 1 1   37    9    0 o 15.41848 4.341845  2.590769 1.606154   2.100000 2.900000   3.200000 3.600000   14.42018 5.777707   16.41678   6.482637 -1.996596 8.683690 
1 1 1   38    0    0 f 139.8546 2.061673  224.7000 6.600000   224.7000 6.600000   224.7000 6.600000   139.8546 2.061673   139.8546   2.061673 0.000000 0.000000 
1 1 1   38    0    1 o 71.75146 1.828386  59.20000 3.000000   59.20000 3.000000   59.20000 3.000000   71.75146 1.828386   71.75146   1.828386 0.000000 0.000000 
1 1 1   38    0    2 x        ?      ?         ?        ?          ?        ?          ?        ?          ?        ?          ?          ?       ?       ? 
1 1 1   38    0    3 o 26.41923 3.471896  8.500000 2.000000   8.500000 2.000000   8.500000 2.000000   26.41923 3.471896   26.41923   3.471896 0.000000 0.000000 
1 1 1   38    0    4 o 43.21740 2.857710  21.90000 2.800000   21.90000 2.800000   21.90000 2.800000   43.21740 2.857710   43.21740   2.857710 0.000000 0.000000 
1 1 1   38    0    5 o 6.468330 4.459558 -1.500000 2.200000  -1.500000 2.200000  -1.500000 2.200000   6.468330 4.459558   6.468330   4.459558 0.000000 0.000000 
1 1 1   38    0    6 o 57.30699 2.217221  38.20000 2.900000   38.20000 2.900000   38.20000 2.900000   57.30699 2.217221   57.30699   2.217221 0.000000 0.000000 
1 1 1   38    0    7 o 17.07577 5.942901  4.600000 2.100000   4.600000 2.100000   4.600000 2.100000   17.07577 5.942901   17.07577   5.942901 0.000000 0.000000 
1 1 1   38    2    0 o 47.96920 1.655328  26.25510 1.077551   25.70000 1.600000   27.40000 3.300000   47.30624 1.476866   48.63215   2.962990 -1.325909 3.310656 
1 1 1   38    2    1 o 28.05148 3.107155  9.786000 1.122000   10.50000 1.700000   8.400000 3.300000   30.13750 2.463096   25.96546   5.705332 4.172045 6.214311 
1 1 1   38    2    2 o 21.42206 3.673251  5.186275 1.098039   3.900000 1.600000   8.000000 3.500000   17.82903 4.015177   25.01508   6.152190 -7.186050 7.346502 
1 1 1   38    2    3 o 23.37484 3.148734  6.635555 1.031111   6.600000 1.600000   6.700000 2.900000   23.77773 2.938254   22.97195   5.569987 0.8057766 6.297467 
1 1 1   38    2    4 o 48.33421 1.810462  27.70000 1.259259   28.70000 2.000000   26.00000 3.400000   49.80586 1.753433   46.86256   3.168054 2.943302 3.620925 
1 1 1   38    2    5 o 33.85123 2.476729  12.86981 1.116981   11.30000 1.600000   16.50000 3.700000   31.10928 2.245793   36.59319   4.415106 -5.483913 4.953458 
1 1 1   38    2    6 o 45.51050 2.079506  24.22000 1.393333   22.90000 2.200000   26.50000 3.800000   44.24448 2.171217   46.77652   3.547279 -2.532043 4.159011 
1 1 1   38    2    7 o 17.61255 4.234320  3.984483 1.277586   3.100000 1.900000   5.800000 3.900000   15.37202 4.837733   19.85307   6.950841 -4.481049 8.468639 
1 1 1   38    4    0 o 28.34912 3.063802  10.22500 1.031250   11.10000 1.500000   8.300000 3.300000   31.00682 2.112388   25.69142   5.751987 5.315397 6.127604 
1 1 1   38    4    1 f 35.77930 2.657303  14.90345 1.241379   14.50000 1.800000   15.80000 4.000000   35.38226 2.221399   36.17634   4.828087 -0.7940788 5.314606 
1 1 1   38    4    2 o 47.71883 2.497338  26.79091 1.909091   26.20000 3.500000   27.50000 4.200000   47.25166 3.234378   48.18600   3.805994 -0.9343491 4.994676 
1 1 1   38    4    3 f 25.62676 3.497253  7.903636 1.174546   7.100000 1.700000   9.700000 3.800000   24.48855 3.031276   26.76497   6.303530 -2.276415 6.994507 
1 1 1   38    4    4 o 39.23750 2.278888  17.78421 1.298246   16.10000 2.000000   20.90000 3.700000   37.06450 2.356196   41.41048   3.901496 -4.345982 4.557777 
1 1 1   38    4    5 f 19.08128 3.926703  4.700000 1.134545   4.700000 1.600000   4.700000 3.900000   19.37241 3.741880   18.79014   6.904659 0.5822639 7.853405 
1 1 1   38    4    6 o 13.73942 4.107436  1.400000 1.400000   1.300000 2.100000   1.600000 4.200000   12.22071 4.909482   15.25813   6.586433 -3.037414 8.214872 
1 1 1   38    6    0 f 53.11629 1.907419  33.44754 1.344262   34.30000 2.000000   31.70000 4.100000   54.52460 1.601685   51.70799   3.462309 2.816605 3.814837 
1 1 1   38    6    1 o 37.88810 3.012970  16.84706 1.323529   16.00000 1.800000   19.20000 5.000000   37.06964 2.120283   38.70655   5.640598 -1.636913 6.025939 
1 1 1   38    6    2 o 14.10618 3.904071  1.196875 1.410937   3.100000 2.100000  -2.700000 4.300000   15.60571 5.102855   12.60664   5.909986 2.999063 7.808141 
1 1 1   38    6    3 o 13.65718 3.594135 0.1820897 1.361194   3.500000 1.900000  -8.200000 4.800000   16.40707 4.770768   10.90728   5.376895 5.499789 7.188270 
1 1 1   38    6    4 o 19.67644 3.121062  5.382692 1.205769   9.000000 1.900000 -0.9000000 3.300000   27.37438 3.030742   11.97849   5.456987 15.39590 6.242123 
1 1 1   38    8    0 o 31.58595 2.704295  12.21818 1.374545   10.50000 2.700000   14.00000 2.800000   29.20493 4.036894   33.96696   3.599490 -4.762039 5.408590 
1 1 1   38    8    1 o 12.03925 3.791801 -0.4548386 1.535484  0.9000000 2.800000  -2.100000 3.400000   12.81780 5.451897   11.26069   5.271416 1.557112 7.583601 
1 1 1   39    1    0 o 80.65106 1.419190  74.02192 1.726027   70.80000 2.800000   79.20000 4.500000   78.48825 1.557733   82.81388   2.372734 -4.325630 2.838380 
1 1 1   39    1    1 f 33.88754 2.389260  13.71020 1.110204   14.30000 1.700000   12.60000 3.200000   35.18562 2.109714   32.58947   4.287582 2.596149 4.778520 
1 1 1   39    1    2 o 14.63309 3.778865  1.620000 1.200000 -0.3000000 2.000000   4.500000 3.000000   10.22581 4.477696   19.04037   6.088475 -8.814569 7.557731 
1 1 1   39    1    3 o 52.37861 1.767428  32.52414 1.406897   34.80000 2.400000   29.30000 3.400000   54.82920 1.911345   49.92802   2.973544 4.901188 3.534855 
1 1 1   39    1    4 o 44.19396 2.068504  22.85593 1.440678   21.50000 2.500000   24.70000 3.400000   42.82346 2.549165   45.56446   3.258310 -2.740993 4.137007 
1 1 1   39    1    5 o 47.22861 2.265953  27.53846 1.538462   30.00000 2.500000   23.60000 4.000000   50.64312 2.155556   43.81410   3.986445 6.829018 4.531905 
1 1 1   39    1    6 o 13.94664 4.076338  1.385484 1.524194   2.300000 2.700000  0.2000000 3.500000   14.59142 5.657004   13.30187   5.870642 1.289542 8.152677 
1 1 1   39    3    0 o 14.57779 3.489482  2.335000 0.9100000   2.300000 1.400000   2.400000 2.600000   13.83259 4.115216   15.32300   5.636570 -1.490411 6.978963 
1 1 1   39    3    1 o 57.36328 1.727916  38.27333 1.298333   38.40000 1.900000   38.00000 4.100000   57.77100 1.436096   56.95556   3.143312 0.8154373 3.455832 
1 1 1   39    3    2 o 14.41948 3.789902  1.982979 1.055319   1.200000 1.600000   3.500000 3.100000   11.51479 4.382545   17.32417   6.184394 -5.809382 7.579804 
1 1 1   39    3    3 f 46.36740 1.956392  23.98104 1.277586   21.00000 1.900000   30.10000 3.900000   42.52529 1.950950   50.20951   3.391707 -7.684219 3.912785 
1 1 1   39    3    4 o 14.23239 3.047310 0.9673469 1.163265   5.000000 1.900000  -5.400000 3.000000   19.73089 4.324189   8.733884   4.294856 10.99700 6.094620 
1 1 1   39    3    5 o 60.64991 1.824651  41.67857 1.544286   37.90000 2.300000   49.40000 4.700000   57.12300 1.758152   64.17682   3.197860 -7.053818 3.649302 
1 1 1   39    3    6 o 26.37484 3.837744  9.133333 1.400000   8.200000 2.100000   11.00000 4.200000   25.78441 3.556328   26.96528   6.801886 -1.180868 7.675488 
1 1 1   39    5    0 o 27.60745 3.060396  7.900000 1.142857   5.500000 1.600000   13.90000 4.000000   21.60613 3.233572   33.60876   5.196933 -12.00263 6.120793 
1 1 1   39    5    1 o 29.10060 3.742730  11.83333 1.485714   14.50000 2.400000   7.500000 3.900000   34.99830 2.994360   23.20290   6.860461 11.79540 7.485460 
1 1 1   39    5    2 o 17.48683 3.294173  3.410170 1.250847   6.400000 1.800000  -3.400000 4.100000   23.06877 3.407123   11.90489   5.638955 11.16388 6.588346 
1 1 1   39    5    3 o 17.59682 3.574087  3.951163 1.027907   3.200000 1.700000   5.100000 2.600000   15.75865 4.491948   19.43499   5.560467 -3.676337 7.148174 
1 1 1   39    5    4 o 38.69582 3.362151  19.77143 1.428571   20.60000 2.000000   17.70000 5.000000   41.94041 2.082270   35.45123   6.393777 6.489178 6.724302 
1 1 1   39    7    0 o 43.87379 2.173484  23.09180 1.504918   23.80000 2.700000   22.20000 3.400000   44.88346 2.626740   42.86412   3.463576 2.019348 4.346967 
1 1 1   39    7    1 o 22.62595 3.558996  6.333333 1.133333   5.200000 1.700000   8.600000 3.400000   20.35168 3.786806   24.90022   6.027099 -4.548540 7.117992 
1 1 1   39    7    2 o 31.92277 3.909412  12.90658 1.603947   11.00000 2.300000   17.30000 5.300000   29.99958 3.347745   33.84597   7.065877 -3.846390 7.818825 
1 1 1   40    0    0 f 40.84065 1.934397  19.30000 1.800000   19.30000 1.800000   19.30000 1.800000   40.84065 1.934397   40.84065   1.934397 0.000000 0.000000 
1 1 1   40    0    1 o 33.95430 2.473593  13.50000 1.900000   13.50000 1.900000   13.50000 1.900000   33.95430 2.473593   33.95430   2.473593 0.000000 0.000000 
1 1 1   40    0    2 o 10.66378 5.979401  1.900000 2.200000   1.900000 2.200000   1.900000 2.200000   10.66378 5.979401   10.66378   5.979401 0.000000 0.000000 
1 1 1   40    0    3 o 60.54673 1.951804  42.40000 2.700000   42.40000 2.700000   42.40000 2.700000   60.54673 1.951804   60.54673   1.951804 0.000000 0.000000 
1 1 1   40    0    4 o 24.89084 4.698904  8.100000 2.400000   8.100000 2.400000   8.100000 2.400000   24.89084 4.698904   24.89084   4.698904 0.000000 0.000000 
1 1 1   40    0    5 o 32.79057 3.569569  13.10000 2.600000   13.10000 2.600000   13.10000 2.600000   32.79057 3.569569   32.79057   3.569569 0.000000 0.000000 
1 1 1   40    0    6 o 7.266242 4.940862 -1.000000 2.500000  -1.000000 2.500000  -1.000000 2.500000   7.266242 4.940862   7.266242   4.940862 0.000000 0.000000 
1 1 1   40    2    0 o 16.32796 4.432510  3.300000 1.700000   3.300000 1.700000          ?        ?   16.32796 4.432510          ?          ?       ?       ? 
1 1 1   40    2    1 o 25.93944 2.771922  8.539024 0.9512195   9.600000 1.500000   6.700000 2.600000   28.77873 2.275932   23.10015   5.055129 5.678581 5.543843 
1 1 1   40    2    2 o 15.53757 3.661350  2.513208 1.245283   4.400000 2.000000 -0.6000000 3.300000   18.52172 4.705657   12.55341   5.610590 5.968308 7.322700 
1 1 1   40    2    3 o 39.59592 2.530973  19.54407 1.322034   20.90000 2.000000   16.90000 3.900000   42.35496 2.061890   36.83687   4.622976 5.518093 5.061946 
1 1 1   40    2    4 o 29.46708 3.333508  11.17414 1.339655   11.50000 2.100000   10.60000 3.700000   31.07658 2.950705   27.85759   5.978497 3.218983 6.667015 
1 1 1   40    2    5 o 72.71129 1.695615  62.18182 1.781818   61.60000 2.800000   63.20000 4.900000   72.79828 1.679487   72.62429   2.946144 0.1739883 3.391230 
1 1 1   40    4    0 o 10.32362 3.232288 -1.757143 1.142857  0.9000000 1.600000  -8.400000 4.000000   10.93904 4.321070   9.708203   4.808233 1.230833 6.464577 
1 1 1   40    4    1 o 21.89959 3.881579  6.140351 1.192982   6.200000 1.700000   6.000000 4.000000   22.82303 3.252486   20.97616   7.048968 1.846867 7.763157 
1 1 1   40    4    2 o 57.12050 1.951585  38.42059 1.488235   38.00000 2.200000   39.30000 4.600000   57.24221 1.678209   56.99879   3.523968 0.2434235 3.903169 
1 1 1   40    4    3 o 17.00986 3.535227  3.600000 1.188679   5.400000 1.800000  0.1000000 3.500000   20.71285 3.938603   13.30688   5.871858 7.405973 7.070453 
1 1 1   40    4    4 o 21.91803 4.024391  6.680645 1.354839   7.100000 2.000000   5.800000 4.200000   24.03567 3.633403   19.80040   7.182011 4.235266 8.048782 
1 1 1   40    6    0 o 13.30048 3.843101 0.4730159 1.460317   2.700000 2.300000  -3.400000 4.000000   14.92869 5.327213   11.67226   5.540622 3.256426 7.686202 
1 1 1   40    6    1 f 16.89238 4.397534  3.217187 1.248438   2.500000 1.700000   5.200000 4.700000   14.14477 4.589571   19.64000   7.502604 -5.495226 8.795069 
1 1 1   40    6    2 o 13.65221 3.937582  1.552542 1.288136   2.100000 1.900000  0.4000000 4.000000   13.31547 4.830450   13.98895   6.219723 -0.6734762 7.875164 
1 1 1   41    1    0 o 70.57616 1.541080  56.60725 1.594203   53.60000 2.500000   61.90000 4.400000   68.21457 1.600304   72.93776   2.634147 -4.723190 3.082159 
1 1 1   41    1    1 o 15.08767 3.679478  2.628889 1.031111   2.700000 1.600000   2.500000 2.900000   14.72124 4.403852   15.45410   5.895789 -0.7328615 7.358956 
1 1 1   41    1    2 o 26.24821 3.295512  8.733333 1.133333   8.900000 1.700000   8.400000 3.400000   27.50167 2.699166   24.99476   6.012994 2.506910 6.591024 
1 1 1   41    1    3 o 46.72732 1.836800  25.27091 1.298182   23.40000 2.100000   28.30000 3.400000   44.77443 2.047995   48.68021   3.049764 -3.905777 3.673601 
1 1 1   41    1    4 o 49.23640 1.944718  29.18135 1.379661   30.30000 2.200000   27.30000 3.700000   50.99269 1.883886   47.48013   3.402746 3.512562 3.889435 
1 1 1   41    3    0 o 39.66576 2.527761  18.84237 1.210170   18.90000 1.700000   18.70000 4.200000   40.39104 1.837823   38.94048   4.709640 1.450562 5.055522 
1 1 1   41    3    1 o 73.00543 1.461501  61.87313 1.567164   61.50000 2.500000   62.50000 4.200000   72.98309 1.495745   73.02778   2.511313 -0.4468536E-01 2.923003 
1 1 1   41    3    2 o 12.73523 3.890754 0.2825397 1.431746   1.400000 2.200000  -1.800000 4.100000   12.67066 5.047277   12.79980   5.922573 -0.1291428 7.781509 
1 1 1   41    3    3 o 16.64673 3.868700  3.300000 1.260000   4.500000 1.800000  0.5000000 4.200000   18.69893 4.293932   14.59454   6.436575 4.104387 7.737400 
1 1 1   41    3    4 o 12.28035 3.178278 -1.037931 1.241379   3.400000 1.800000  -10.90000 4.000000   15.95542 4.644699   8.605270   4.339652 7.350152 6.356556 
1 1 1   41    5    0 o 17.96347 3.497653  4.108929 1.183929   5.900000 1.700000   0.000000 3.900000   22.12681 3.354825   13.80013   6.138359 8.326684 6.995306 
1 1 1   41    5    1 o 24.78743 3.844935  7.750820 1.432787   5.300000 2.300000   11.80000 3.800000   20.02049 5.024372   29.55437   5.821493 -9.533871 7.689870 
1 1 1   41    5    2 o 12.01873 3.787937 0.2600000 1.218333  0.6000000 1.700000 -0.6000000 4.300000   10.39108 4.322674   13.64639   6.221603 -3.255304 7.575873 
1 1 1   42    0    0 o 9.683252 5.801736  1.300000 2.300000   1.300000 2.300000   1.300000 2.300000   9.683252 5.801736   9.683252   5.801736 0.000000 0.000000 
1 1 1   42    0    1 o 41.53187 3.638941  20.70000 3.400000   20.70000 3.400000   20.70000 3.400000   41.53187 3.638941   41.53187   3.638941 0.000000 0.000000 
1 1 1   42    0    2 o 6.927367 4.583654 -0.3000000 1.900000 -0.3000000 1.900000 -0.3000000 1.900000   6.927367 4.583654   6.927367   4.583654 0.000000 0.000000 
1 1 1   42    0    3 o 11.87580 6.085888  2.600000 2.100000   2.600000 2.100000   2.600000 2.100000   11.87580 6.085888   11.87580   6.085888 0.000000 0.000000 
1 1 1   42    0    4 o 48.82407 2.610656  28.10000 2.900000   28.10000 2.900000   28.10000 2.900000   48.82407 2.610656   48.82407   2.610656 0.000000 0.000000 
1 1 1   42    2    0 o 50.43469 1.695875  29.05818 1.298182   26.50000 2.100000   33.20000 3.400000   47.78354 1.919025   53.08584   2.796662 -5.302303 3.391751 
1 1 1   42    2    1 o 39.31883 1.917695  18.24468 1.085106   18.10000 1.700000   18.50000 3.000000   39.43769 1.882250   39.19998   3.341759 0.2377090 3.835390 
1 1 1   42    2    2 o 19.26382 3.659138  4.629787 1.085106   3.400000 1.700000   6.800000 3.000000   16.23211 4.443370   22.29554   5.814950 -6.063429 7.318277 
1 1 1   42    2    3 o 35.89572 3.094807  18.00690 1.339655   21.70000 2.100000   11.50000 3.700000   42.99308 2.132850   28.79836   5.810531 14.19473 6.189614 
1 1 1   42    4    0 o 32.92979 2.928356  14.23077 1.107692   15.40000 1.600000   11.60000 3.600000   36.36333 1.921304   29.49625   5.532601 6.867073 5.856713 
1 1 1   42    4    1 o 12.52336 3.695579 0.8367347 1.110204 -0.1000000 1.700000   2.600000 3.200000   9.469143 4.137762   15.57758   6.124390 -6.108433 7.391159 
1 1 1   42    4    2 o 39.98414 2.254547  19.28571 1.285714   19.00000 2.000000   19.80000 3.600000   40.17794 2.173612   39.79034   3.950613 0.3875961 4.509095 
1 1 1   42    6    0 o 11.53905 3.617900 -1.590625 1.543750   1.700000 2.600000  -6.400000 3.800000   13.38483 5.432568   9.693276   4.779542 3.691550 7.235801 
1 1 1   43    1    0 o 69.16500 1.498642  55.71692 1.513846   55.20000 2.400000   56.60000 4.100000   69.06996 1.517266   69.26004   2.584882 -0.1900787 2.997284 
1 1 1   43    1    1 o 13.57950 3.267467  1.287805 0.9951220  -1.200000 1.700000   4.800000 2.400000   8.205613 3.802742   18.95338   5.314556 -10.74777 6.534933 
1 1 1   43    1    2 o 33.75567 2.658736  14.10000 1.200000   14.30000 1.800000   13.70000 3.600000   34.87203 2.253902   32.63931   4.816164 2.232719 5.317472 
1 1 1   43    3    0 o 61.50302 1.701600  43.47424 1.498485   41.00000 2.300000   48.10000 4.300000   59.45091 1.689309   63.55513   2.954320 -4.104218 3.403200 
1 1 1   43    3    1 o 33.67125 2.469190  13.19434 1.188679   11.70000 1.800000   16.10000 3.500000   31.46864 2.497665   35.87387   4.260196 -4.405230 4.938380 
1 1 1   43    3    2 o 19.50485 4.054897  5.335088 1.298246   5.300000 2.000000   5.400000 3.700000   19.98804 4.480030   19.02167   6.760037 0.9663677 8.109795 
1 1 1   43    5    0 o 12.58272 3.907630 -1.013559 1.166102  -3.400000 1.600000   5.400000 4.300000   6.155254 3.047196   19.01018   7.196727 -12.85492 7.815260 
1 1 1   44    0    0 o 14.81335 6.014505  3.700000 2.000000   3.700000 2.000000   3.700000 2.000000   14.81335 6.014505   14.81335   6.014505 0.000000 0.000000 
1 1 1   44    0    1 o 67.27191 1.820471  52.40000 2.800000   52.40000 2.800000   52.40000 2.800000   67.27191 1.820471   67.27191   1.820471 0.000000 0.000000 
1 1 1   44    2    0 o 61.04485 1.508608  42.56779 1.379661   39.10000 2.200000   48.40000 3.700000   58.05243 1.654787   64.03728   2.522949 -5.984859 3.017216 
1 1 1   44    2    1 o 41.07397 2.007066  20.41569 1.192157   20.90000 1.900000   19.60000 3.200000   42.23144 1.964524   39.91650   3.500558 2.314945 4.014133 
1 1 1   45    1    0 o 24.70891 3.432602  8.835999 1.122000   10.40000 1.700000   5.800000 3.300000   29.58165 2.509379   19.83617   6.390152 9.745474 6.865203 
#END OF REFLECTIONS
